0 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 C#CC(=O)CC#CCC 1458a_100000211873_100009813939 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,0,0,0,0,0|1,0,3]=4 12 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.6 C#CCNCC(=O)NC 2230a_100000693194_100000038162 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.6 C#CCNCC(=O)NC 34a_100000212058_100000183359 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.6 C#CCOCC(=O)NC 11a_106832991635_100011251226 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.6 C#CCOCC(=O)NC 1626a_100102657272_100011251226 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.6 C#CCOCC(=O)NC 34a_100000210247_100000183359 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.6 C#CCOCC(=O)NC 34a_100000750040_100000184674 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.6 C#CCOCC(=O)NC 527a_100102657272_100011251226 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,0,0,0,0,0|1,0,2]=3 41 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.6 C#CCSCC(=O)NC 62a_100000038162_100000183359 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,0,0,0,0,0|1,0,2]=3 44 B8R0.6 C=C(C#N)COCCC 34a_100000210258_100000694840 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.6 C=C(C#N)CSCCC 62a_100000210303_100000694840 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,0,0,0,0,0|1,0,3]=4 47 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,0,0,0,0,0|1,0,3]=4 48 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,0,0,0,0,0|2,0,2]=4 49 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,0,0,0,0|1,0,1]=2 50 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,0,0,0,0,0|2,0,1]=3 51 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [0,0,0,0,0,0|3,0,1]=4 66 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [0,0,0,0,0,0|3,0,1]=4 67 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,0,0,0,0,0|1,0,3]=4 78 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,0,0,0,0,0|1,0,2]=3 79 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,0,0,0,0,0|1,0,2]=3 80 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,0,0,0,0,0|2,0,2]=4 82 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,0,0,0,0,0|1,0,2]=3 83 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,0,0,0,0,0|1,0,2]=3 84 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,0,0,0,0,0|1,0,2]=3 85 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,0,0,0,0,0|1,0,2]=3 86 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,0,0,0,0,0|1,0,2]=3 99 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,0,0,0,0,0|2,0,2]=4 102 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,0,0,0,0,0|1,0,2]=3 103 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,0,0,0,0,0|2,0,2]=4 106 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,0,0,0,0,0|2,0,2]=4 107 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,0,0,0,0,0|2,0,2]=4 109 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,0,0,0,0,0|2,0,2]=4 110 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,0,0,0,0,0|1,0,2]=3 113 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,0,0,0,0,0|1,0,2]=3 114 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,0,0,0,0,0|2,0,2]=4 117 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.6 CC#CCNC(=O)NC 2708a_100102657272_100000685387 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.6 CC#CCNC(=O)NC 273464a_100000685387_100102657272 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.6 CC#CCNC(=O)NC 273464a_100102657272_100000685387 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.6 CC#CCNC(=O)NC 512a_100000685387_100102657272 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.6 CC#CCNC(=O)NC 512a_106832991638_100000685387 [0,0,0,0,0,0|2,0,2]=4 123 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,0,0,0,0|1,0,2]=3 124 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,0,0,0,0,0|1,0,2]=3 126 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 127 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 128 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,0,0,0,0,0|1,0,2]=3 129 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,0,0,0,0|1,0,2]=3 130 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,0,0,0,0,0|2,0,2]=4 131 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,0,0,0,0,0|1,0,2]=3 132 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.6 CCC#CCC(C)OC 34a_200000035118_200000210301 [0,0,0,0,0,0|1,0,3]=4 134 B8R0.6 CCC#CCC(C)OC 7a_200000035118_200000210301 [0,0,0,0,0,0|1,0,3]=4 135 B8R0.6 CCC#CCC(C)O[13CH3] 34a_200000035118_200025704644 [0,0,0,0,0,0|1,0,3]=4 136 B8R0.6 CCC#CCC(C)O[13CH3] 7a_200000035118_200025704644 [0,0,0,0,0,0|1,0,3]=4 137 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,0,0,0,0,0|2,0,2]=4 139 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,0,0,0,0,0|2,0,1]=3 140 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,0,0,0,0,0|2,0,1]=3 141 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,0,0,0,0,0|2,0,0]=2 142 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,0,0,0,0,0|2,0,0]=2 143 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,0,0,0,0,0|2,0,0]=2 144 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,0,0,0,0,0|2,0,0]=2 145 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,0,0,0,0,0|2,0,0]=2 146 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,0,0,0,0,0|2,0,0]=2 147 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,0,0,0,0,0|4,0,0]=4 148 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,0,0,0,0,0|3,0,0]=3 150 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,0,0,0,0,0|3,0,0]=3 151 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,0,0,0,0,0|3,0,0]=3 152 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,0,0,0,0,0|3,0,0]=3 153 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,0,0,0,0,0|3,0,1]=4 154 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,0,0,0,0,0|3,0,1]=4 156 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,0,0,0,0,0|3,0,1]=4 157 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,0,0,0,0,0|3,0,0]=3 159 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,0,0,0,0,0|3,0,0]=3 160 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,0,0,0,0,0|3,0,0]=3 161 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,0,0,0,0,0|3,0,0]=3 162 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,0,0,0,0,0|3,0,0]=3 163 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,0,0,0,0,0|3,0,0]=3 164 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,0,0,0,0,0|3,0,0]=3 165 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,0,0,0,0,0|3,0,0]=3 166 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,0,0,0,0,0|3,0,1]=4 168 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,0,0,0,0,0|3,0,1]=4 170 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,0,0,0,0,0|3,0,0]=3 171 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,0,0,0,0,0|3,0,0]=3 172 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,0,0,0,0,0|3,0,0]=3 173 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,0,0,0,0,0|3,0,0]=3 174 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,0,0,0,0,0|3,0,0]=3 175 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,0,0,0,0,0|3,0,0]=3 176 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,0,0,0,0,0|3,0,0]=3 177 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,0,0,0,0,0|3,0,0]=3 178 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,0,0,0,0,0|3,0,0]=3 179 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,0,0,0,0,0|3,0,0]=3 180 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,0,0,0,0,0|3,0,0]=3 181 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,0,0,0,0,0|3,0,0]=3 182 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,0,0,0,0,0|3,0,0]=3 183 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,0,0,0,0,0|3,0,0]=3 184 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,0,0,0,0,0|3,0,0]=3 185 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,0,0,0,0,0|3,0,0]=3 186 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,0,0,0,0,0|3,0,0]=3 189 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,0,0,0,0,0|4,0,0]=4 190 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,0,0,0,0,0|3,0,0]=3 191 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,0,0,0,0,0|3,0,1]=4 193 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,0,0,0,0,0|3,0,1]=4 194 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,0,0,0,0,0|3,0,1]=4 195 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,0,0,0,0,0|1,0,2]=3 196 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,0,0,0,0,0|2,0,2]=4 197 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,0,0,0,0,0|1,0,2]=3 198 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,0,0,0,0,0|1,0,2]=3 199 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,0,0,0,0,0|2,0,2]=4 200 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,0,0,0,0,0|1,0,2]=3 201 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,0,0,0,0,0|1,0,2]=3 202 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,0,0,0,0,0|1,0,2]=3 203 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,0,0,0,0|1,0,0]=1 204 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,0,0,0,0|1,0,0]=1 205 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,0,0,0,0|2,0,0]=2 206 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,0,0,0,0|2,0,0]=2 207 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,0,0,0,0|1,0,0]=1 208 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,0,0,0,0|1,0,0]=1 209 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,0,0,0,0|1,0,0]=1 210 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,0,0,0,0|1,0,0]=1 211 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,0,0,0,0,0|2,0,1]=3 212 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,0,0,0,0,0|2,0,1]=3 213 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,0,0,0,0,0|2,0,1]=3 214 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,0,0,0,0,0|2,0,1]=3 215 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,0,0,0,0,0|2,0,1]=3 216 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,0,0,0,0,0|2,0,1]=3 217 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,0,0,0,0,0|1,0,1]=2 218 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,0,0,0,0,0|1,0,1]=2 219 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,0,0,0,0,0|1,0,1]=2 220 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,0,0,0,0,0|1,0,1]=2 221 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,0,0,0,0,0|1,0,1]=2 222 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,0,0,0,0,0|1,1,1]=3 223 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,0,0,0,0,0|1,1,1]=3 224 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,0,0,0,0,0|1,1,1]=3 225 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,0,0,0,0,0|1,1,1]=3 226 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,0,0,0,0,0|3,0,0]=3 227 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,0,0,0,0,0|3,0,0]=3 228 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,0,0,0,0,0|3,0,0]=3 229 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,0,0,0,0,0|3,0,0]=3 230 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,0,0,0,0,0|4,0,0]=4 231 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,0,0,0,0,0|2,0,0]=2 232 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,0,0,0,0,0|2,0,0]=2 233 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,0,0,0,0,0|2,0,0]=2 234 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,0,0,0,0,0|2,0,0]=2 235 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,0,0,0,0|3,0,0]=3 236 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,0,0,0,0|3,0,0]=3 237 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,0,0,0,0,0|2,0,0]=2 238 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,0,0,0,0,0|2,0,0]=2 239 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,0,0,0,0,0|2,0,0]=2 240 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,0,0,0,0,0|2,0,0]=2 241 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,0,0,0,0,0|2,0,0]=2 242 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,0,0,0,0,0|2,0,0]=2 243 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,0,0,0,0,0|2,0,1]=3 252 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,0,0,0,0,0|2,0,1]=3 253 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,0,0,0,0,0|2,0,0]=2 254 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,0,0,0,0,0|3,0,1]=4 256 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,0,0,0,0,0|2,0,2]=4 257 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,0,0,0,0,0|2,0,1]=3 258 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,0,0,0,0,0|3,0,0]=3 259 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,0,0,0,0,0|4,0,0]=4 260 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,0,0,0,0,0|3,0,0]=3 261 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,0,0,0,0,0|3,0,0]=3 262 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,0,0,0,0,0|3,0,0]=3 263 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,0,0,0,0,0|2,0,0]=2 264 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,0,0,0,0,0|2,0,0]=2 265 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,0,0,0,0,0|3,0,0]=3 266 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,0,0,0,0,0|2,0,0]=2 267 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,0,0,0,0,0|2,0,0]=2 268 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,0,0,0,0,0|2,0,0]=2 269 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,0,0,0,0,0|2,0,0]=2 270 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,0,0,0,0,0|2,0,0]=2 271 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,0,0,0,0,0|2,0,0]=2 272 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,0,0,0,0,0|1,0,0]=1 273 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,0,0,0,0,0|3,0,1]=4 274 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,0,0,0,0,0|2,0,1]=3 275 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,0,0,0,0,0|2,0,2]=4 276 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,0,0,0,0,0|3,0,1]=4 277 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,0,0,0,0,0|3,0,1]=4 278 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,0,0,0,0,0|2,0,0]=2 279 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,0,0,0,0,0|2,0,0]=2 280 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,0,0,0,0,0|2,0,0]=2 281 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,0,0,0,0,0|3,0,0]=3 282 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,0,0,0,0,0|2,0,0]=2 283 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,0,0,0,0,0|2,0,0]=2 284 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,0,0,0,0,0|2,0,0]=2 285 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,0,0,0,0,0|2,0,0]=2 286 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,0,0,0,0,0|2,0,0]=2 287 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,0,0,0,0,0|2,0,0]=2 288 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,0,0,0,0,0|1,0,0]=1 289 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,0,0,0,0,0|1,0,0]=1 290 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,0,0,0,0,0|3,0,1]=4 291 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,0,0,0,0,0|3,0,1]=4 292 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,0,0,0,0,0|3,0,1]=4 293 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,0,0,0,0,0|2,0,2]=4 294 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,0,0,0,0,0|2,0,2]=4 295 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,0,0,0,0,0|3,0,1]=4 296 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,0,0,0,0,0|3,0,1]=4 297 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,0,0,0,0,0|4,0,0]=4 298 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,0,0,0,0,0|4,0,0]=4 299 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,0,0,0,0,0|4,0,0]=4 300 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,0,0,0,0,0|4,0,0]=4 301 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,0,0,0,0,0|4,0,0]=4 302 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,0,0,0,0,0|4,0,0]=4 303 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,0,0,0,0,0|4,0,0]=4 304 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,0,0,0,0,0|4,0,0]=4 305 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,0,0,0,0,0|4,0,0]=4 306 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,0,0,0,0,0|4,0,0]=4 307 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,0,0,0,0,0|4,0,0]=4 308 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,0,0,0,0,0|4,0,0]=4 309 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,0,0,0,0,0|4,0,0]=4 310 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,0,0,0,0,0|4,0,0]=4 311 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,0,0,0,0,0|4,0,0]=4 312 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,0,0,0,0,0|4,0,0]=4 313 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,0,0,0,0,0|4,0,0]=4 314 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,0,0,0,0,0|4,0,0]=4 315 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,0,0,0,0|2,0,0]=2 316 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,0,0,0,0|2,0,0]=2 317 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,0,0,0,0|2,0,0]=2 318 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,0,0,0,0|1,0,0]=1 319 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,0,0,0,0,0|2,0,1]=3 321 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,0,0,0,0,0|2,0,2]=4 322 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,0,0,0,0,0|2,0,2]=4 323 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,0,0,0,0,0|2,0,2]=4 324 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,0,0,0,0,0|2,0,2]=4 325 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,0,0,0,0,0|4,0,0]=4 326 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,0,0,0,0|2,0,0]=2 327 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,0,0,0,0|2,0,0]=2 328 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,0,0,0,0,0|3,0,0]=3 329 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,0,0,0,0,0|3,0,0]=3 330 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,0,0,0,0|2,0,0]=2 331 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,0,0,0,0|2,0,0]=2 332 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,0,0,0,0|2,0,0]=2 333 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,0,0,0,0|2,0,0]=2 334 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,0,0,0,0|2,0,0]=2 335 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,0,0,0,0|2,0,0]=2 336 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,0,0,0,0|1,0,0]=1 337 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,0,0,0,0,0|3,0,1]=4 338 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,0,0,0,0,0|3,0,1]=4 339 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,0,0,0,0,0|2,0,1]=3 340 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,0,0,0,0,0|4,0,0]=4 341 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,0,0,0,0,0|4,0,0]=4 342 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,0,0,0,0,0|3,0,1]=4 343 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,0,0,0,0,0|3,0,1]=4 344 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,0,0,0,0|2,0,0]=2 345 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,0,0,0,0|2,0,0]=2 346 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,0,0,0,0,0|3,0,0]=3 347 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,0,0,0,0,0|3,0,0]=3 348 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,0,0,0,0|2,0,0]=2 349 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,0,0,0,0|2,0,0]=2 350 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,0,0,0,0|2,0,0]=2 351 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,0,0,0,0|2,0,0]=2 352 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,0,0,0,0|2,0,0]=2 353 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,0,0,0,0|2,0,0]=2 354 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,0,0,0,0|1,0,0]=1 355 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,0,0,0,0|1,0,0]=1 356 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,0,0,0,0,0|4,0,0]=4 357 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,0,0,0,0,0|4,0,0]=4 358 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,0,0,0,0,0|2,0,0]=2 359 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,0,0,0,0,0|2,0,2]=4 360 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,0,0,0,0,0|2,0,2]=4 361 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,0,0,0,0,0|2,0,2]=4 362 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,0,0,0,0,0|2,0,1]=3 363 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,0,0,0,0,0|2,0,1]=3 364 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,0,0,0,0,0|2,0,1]=3 365 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,0,0,0,0,0|2,0,1]=3 366 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,0,0,0,0,0|2,0,0]=2 367 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,0,0,0,0,0|2,0,0]=2 368 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,0,0,0,0,0|2,0,0]=2 369 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,0,0,0,0,0|2,0,0]=2 370 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,0,0,0,0,0|2,0,0]=2 371 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,0,0,0,0,0|2,0,0]=2 372 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,0,0,0,0,0|2,0,0]=2 373 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,0,0,0,0,0|2,0,0]=2 374 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,0,0,0,0,0|2,0,0]=2 375 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,0,0,0,0,0|2,0,0]=2 376 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,0,0,0,0,0|2,0,0]=2 377 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,0,0,0,0,0|2,0,0]=2 378 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,0,0,0,0,0|2,0,0]=2 379 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,0,0,0,0,0|2,0,0]=2 380 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,0,0,0,0,0|2,0,0]=2 381 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,0,0,0,0,0|2,0,0]=2 382 B8R0.6 CNC(=O)CCN=[N+]=[N-] 11a_106832991635_100000688302 [0,0,0,0,0,0|4,0,0]=4 383 B8R0.6 CNC(=O)CCN=[N+]=[N-] 240690a_100102657272_100000688302 [0,0,0,0,0,0|4,0,0]=4 384 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,0,0,0,0,0|3,0,0]=3 385 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,0,0,0,0,0|3,0,0]=3 386 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,0,0,0,0,0|3,0,0]=3 387 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,0,0,0,0,0|3,0,0]=3 388 B8R0.6 CNC(=O)CNCC#N 2230a_100000693194_100011215382 [0,0,0,0,0,0|3,0,1]=4 389 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,0,0,0,0,0|3,0,1]=4 390 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,0,0,0,0,0|3,0,0]=3 391 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,0,0,0,0,0|3,0,0]=3 392 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,0,0,0,0,0|3,0,0]=3 393 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,0,0,0,0,0|3,0,0]=3 394 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,0,0,0,0,0|3,0,0]=3 395 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,0,0,0,0,0|3,0,0]=3 396 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,0,0,0,0,0|3,0,0]=3 397 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,0,0,0,0,0|3,0,1]=4 398 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,0,0,0,0,0|3,0,0]=3 399 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,0,0,0,0,0|3,0,0]=3 400 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,0,0,0,0,0|3,0,0]=3 401 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,0,0,0,0,0|3,0,0]=3 402 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,0,0,0,0,0|3,0,0]=3 403 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,0,0,0,0,0|3,0,0]=3 404 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,0,0,0,0,0|3,0,0]=3 405 B8R0.6 CNC(=O)CSCC#N 11a_106832991635_100000150266 [0,0,0,0,0,0|3,0,1]=4 406 B8R0.6 CNC(=O)CSCC#N 1626a_100102657272_100000150266 [0,0,0,0,0,0|3,0,1]=4 407 B8R0.6 CNC(=O)CSCC#N 240690a_100102657272_100000150266 [0,0,0,0,0,0|3,0,1]=4 408 B8R0.6 CNC(=O)CSCC#N 62a_100000183359_100011215382 [0,0,0,0,0,0|3,0,1]=4 409 B8R0.6 CNC(=O)CSCC#N 62a_100011215382_100000183359 [0,0,0,0,0,0|3,0,1]=4 410 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,0,0,0,0,0|3,0,1]=4 411 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,0,0,0,0,0|3,0,1]=4 412 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,0,0,0,0,0|3,0,0]=3 414 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,0,0,0,0,0|3,0,0]=3 415 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,0,0,0,0,0|3,0,0]=3 416 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,0,0,0,0,0|3,0,0]=3 417 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,0,0,0,0,0|3,0,0]=3 418 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,0,0,0,0,0|3,0,0]=3 419 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,0,0,0,0,0|3,0,0]=3 420 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,0,0,0,0,0|3,0,1]=4 421 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,0,0,0,0,0|3,0,1]=4 422 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,0,0,0,0,0|3,0,1]=4 423 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,0,0,0,0,0|3,0,1]=4 424 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,0,0,0,0,0|3,0,1]=4 425 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,0,0,0,0,0|3,0,1]=4 426 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,0,0,0,0,0|3,0,0]=3 427 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,0,0,0,0,0|3,0,0]=3 428 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,0,0,0,0,0|3,0,0]=3 429 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,0,0,0,0,0|3,0,0]=3 430 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,0,0,0,0,0|3,0,0]=3 431 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,0,0,0,0,0|3,0,0]=3 432 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,0,0,0,0,0|3,0,0]=3 433 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,0,0,0,0,0|3,0,0]=3 434 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,0,0,0,0,0|3,0,0]=3 435 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,0,0,0,0,0|3,0,0]=3 436 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,0,0,0,0,0|3,0,0]=3 437 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,0,0,0,0,0|3,0,0]=3 438 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,0,0,0,0,0|3,0,0]=3 439 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,0,0,0,0,0|3,0,0]=3 440 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,0,0,0,0,0|3,0,0]=3 441 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,0,0,0,0,0|3,0,0]=3 442 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,0,0,0,0,0|3,0,0]=3 443 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,0,0,0,0,0|3,0,0]=3 444 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,0,0,0,0,0|3,0,0]=3 445 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,0,0,0,0,0|3,0,0]=3 446 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,0,0,0,0,0|4,0,0]=4 447 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,0,0,0,0,0|4,0,0]=4 448 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,0,0,0,0,0|3,0,0]=3 449 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,0,0,0,0,0|3,0,0]=3 450 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,0,0,0,0,0|3,0,0]=3 451 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,0,0,0,0,0|3,0,0]=3 452 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,0,0,0,0,0|3,0,0]=3 453 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,0,0,0,0,0|3,0,1]=4 454 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,0,0,0,0,0|1,0,2]=3 455 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,0,0,0,0,0|1,0,2]=3 456 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,0,0,0,0,0|1,0,2]=3 457 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,0,0,0,0,0|2,0,0]=2 458 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,0,0,0,0,0|2,0,0]=2 459 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,0,0,0,0,0|2,0,0]=2 460 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,0,0,0,0,0|2,0,0]=2 461 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,0,0,0,0,0|2,0,0]=2 462 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,0,0,0,0,0|1,0,0]=1 463 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,0,0,0,0,0|1,0,0]=1 464 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,0,0,0,0,0|1,0,0]=1 465 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,0,0,0,0,0|3,0,0]=3 466 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,0,0,0,0,0|3,0,0]=3 467 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,0,0,0,0,0|3,0,0]=3 468 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,0,0,0,0,0|1,0,2]=3 469 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,0,0,0,0,0|1,0,2]=3 470 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,0,0,0,0,0|1,0,2]=3 471 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,0,0,0,0,0|1,0,2]=3 472 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,0,0,0,0,0|1,0,0]=1 473 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,0,0,0,0,0|1,0,0]=1 474 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,0,0,0,0,0|1,0,0]=1 475 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,0,0,0,0,0|1,0,0]=1 476 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,0,0,0,0,0|2,0,0]=2 477 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,0,0,0,0,0|2,0,0]=2 478 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,0,0,0,0,0|2,0,0]=2 479 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,0,0,0,0,0|2,0,0]=2 480 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,0,0,0,0,0|2,0,0]=2 481 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,0,0,0,0,0|2,0,0]=2 482 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,0,0,0,0,0|2,0,0]=2 483 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,0,0,0,0,0|2,0,1]=3 484 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,0,0,0,0,0|2,0,1]=3 485 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,0,0,0,0,0|2,0,1]=3 486 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,0,0,0,0,0|2,0,1]=3 487 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,0,0,0,0,0|2,0,0]=2 488 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,0,0,0,0,0|2,0,0]=2 489 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,0,0,0,0,0|2,0,0]=2 490 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,0,0,0,0,0|2,0,0]=2 491 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,0,0,0,0,0|2,0,0]=2 492 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,0,0,0,0,0|2,0,0]=2 493 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,0,0,0,0,0|2,0,0]=2 494 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,0,0,0,0,0|2,0,0]=2 495 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,0,0,0,0,0|3,0,0]=3 496 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,0,0,0,0,0|3,0,1]=4 497 B8R0.6 COC(C)COCCF 34a_100000690652_100011217306 [0,0,0,0,0,0|3,0,1]=4 498 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,0,0,0,0,0|3,0,1]=4 499 B8R0.6 COC(C)COCSC 34a_100000690652_100011218213 [0,0,0,0,0,0|3,0,1]=4 500 B8R0.6 COC(C)SCCCF 62a_100009879195_100011934791 [0,0,0,0,0,0|3,0,1]=4 501 B8R0.6 COC(C)SCCCF 62a_100011934791_100009879195 [0,0,0,0,0,0|3,0,1]=4 502 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,0,0,0,0,0|3,0,1]=4 503 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,0,0,0,0,0|3,0,1]=4 504 B8R0.6 COC(C)SCCSC 62a_100000212216_100009879195 [0,0,0,0,0,0|3,0,1]=4 505 B8R0.6 COC(C)SCCSC 62a_100009879195_100000751147 [0,0,0,0,0,0|3,0,1]=4 506 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,0,0,0,0,0|1,0,2]=3 507 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,0,0,0,0,0|3,0,0]=3 508 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,0,0,0,0,0|3,0,0]=3 509 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,0,0,0,0,0|3,0,0]=3 510 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,0,0,0,0,0|1,0,0]=1 511 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,0,0,0,0,0|2,0,1]=3 512 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,0,0,0,0,0|2,0,1]=3 513 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,0,0,0,0,0|2,0,1]=3 514 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,0,0,0,0,0|2,0,1]=3 515 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,0,0,0,0,0|4,0,0]=4 516 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,0,0,0,0,0|4,0,0]=4 517 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,0,0,0,0,0|2,0,0]=2 518 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,0,0,0,0,0|2,0,0]=2 519 B8R0.6 COCCSC(C)OC 62a_100000233755_100009879195 [0,0,0,0,0,0|3,0,1]=4 520 B8R0.6 COCCSC(C)OC 62a_100009879195_100000233755 [0,0,0,0,0,0|3,0,1]=4 521 B8R0.6 COCNC[C@@H](C)OC 2230a_100020591295_100000766300 [0,0,0,0,0,0|3,0,1]=4 522 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,0,0,0,0,0|2,0,0]=2 523 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,0,0,0,0,0|2,0,0]=2 524 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,0,0,0,0,0|3,0,1]=4 525 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,0,0,0,0,0|3,0,1]=4 526 B8R0.6 CO[C@H](C)CNCSC 2230a_100020591295_100011218213 [0,0,0,0,0,0|3,0,1]=4 527 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,0,0,0,0,0|3,0,0]=3 528 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,0,0,0,0,0|4,0,0]=4 529 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,0,0,0,0,0|4,0,0]=4 530 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,0,0,0,0,0|3,0,1]=4 531 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,0,0,0,0,0|3,0,1]=4 532 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,0,0,0,0,0|3,0,0]=3 533 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,0,0,0,0,0|4,0,0]=4 534 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,0,0,0,0|3,0,0]=3 535 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,0,0,0,0|3,0,0]=3 536 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,0,0,0,0,0|4,0,0]=4 537 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,0,0,0,0,0|4,0,0]=4 538 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,0,0,0,0,0|4,0,0]=4 539 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,0,0,0,0,0|4,0,0]=4 540 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,0,0,0,0,0|3,0,0]=3 541 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|0,0,3]=4 542 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|0,0,3]=4 543 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|0,0,3]=4 544 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|0,0,3]=4 545 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|0,0,3]=4 546 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|2,0,0]=3 547 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,0,0,0,0,0|3,0,0]=4 548 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,0,0,0,0|3,0,0]=4 549 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|3,0,0]=4 550 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|3,0,0]=4 551 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|2,0,0]=3 552 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|2,0,0]=3 553 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|3,0,0]=4 554 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|3,0,0]=4 555 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|3,0,0]=4 556 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|3,0,0]=4 557 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|2,0,0]=3 558 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|2,0,0]=3 559 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|3,0,0]=4 562 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|3,0,0]=4 563 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|3,0,0]=4 564 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|3,0,0]=4 565 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|3,0,0]=4 566 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|3,0,0]=4 567 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|0,0,3]=4 568 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|0,0,3]=4 569 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|0,0,3]=4 570 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|0,0,3]=4 571 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|0,0,3]=4 572 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|2,0,1]=4 573 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|2,0,1]=4 574 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|0,0,3]=4 583 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|0,0,3]=4 584 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|0,0,3]=4 585 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|0,0,3]=4 586 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|0,0,3]=4 587 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|2,0,1]=4 591 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|2,0,0]=3 597 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|2,0,0]=3 598 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,0,0,0,0|3,0,0]=4 599 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|3,0,0]=4 600 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|3,0,0]=4 601 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|3,0,0]=4 602 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|2,0,0]=3 603 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|3,0,0]=4 604 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|2,0,0]=3 605 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|2,0,0]=3 606 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,0,0,0,0,0|3,0,0]=4 608 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|3,0,0]=4 609 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|3,0,0]=4 610 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|3,0,0]=4 611 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|3,0,0]=4 612 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|3,0,0]=4 613 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|3,0,0]=4 614 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|3,0,0]=4 615 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,0,0,0,0,0|0,0,3]=4 616 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,0,0,0,0,0|0,0,3]=4 617 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,0,0,0,0,0|0,0,3]=4 618 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,0,0,0,0,0|0,0,3]=4 619 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,0,0,0,0,0|0,0,3]=4 620 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,0,0,0,0,0|0,0,3]=4 621 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,0,0,0,0,0|0,0,3]=4 622 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,0,0,0,0,0|0,0,3]=4 623 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|3,0,0]=4 624 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,0,0,0,0,0|0,0,3]=4 625 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,0,0,0,0,0|0,0,3]=4 626 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,0,0,0,0,0|0,0,3]=4 627 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,0,0,0,0,0|0,0,3]=4 628 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,1]=3 629 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 630 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,1]=3 631 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 632 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,1]=3 633 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|0,0,1]=2 634 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|0,0,1]=2 635 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|0,0,1]=2 636 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|0,0,1]=2 637 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|0,0,1]=2 638 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|0,1,1]=3 639 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|0,1,1]=3 640 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|0,1,1]=3 641 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|0,1,1]=3 642 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|2,0,0]=3 643 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|2,0,0]=3 644 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|2,0,0]=3 645 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|2,0,0]=3 646 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|2,0,0]=3 647 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|3,0,0]=4 648 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|3,0,0]=4 649 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|2,0,0]=3 650 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|2,0,0]=3 651 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|3,0,0]=4 652 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|3,0,0]=4 653 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|2,0,1]=4 654 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|2,0,1]=4 655 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|1,0,1]=3 656 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|1,1,1]=4 657 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|2,0,1]=4 658 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|2,0,1]=4 659 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|2,0,1]=4 660 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 661 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 662 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|1,0,1]=3 663 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|1,1,1]=4 664 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|1,1,1]=4 665 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|1,1,1]=4 666 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|1,1,1]=4 667 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|1,1,1]=4 668 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|2,0,1]=4 669 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|1,0,1]=3 671 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|1,0,1]=3 672 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|1,1,1]=4 673 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|1,1,1]=4 674 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|1,0,1]=3 675 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|1,1,1]=4 676 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 677 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 678 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,1]=4 679 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 680 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 683 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|1,0,1]=3 684 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|1,0,1]=3 685 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|1,0,1]=3 686 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|1,0,1]=3 687 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|1,0,1]=3 688 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|1,0,1]=3 690 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|1,0,1]=3 691 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|1,1,1]=4 692 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|1,1,1]=4 693 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|1,1,1]=4 694 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|1,1,1]=4 695 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|1,1,1]=4 696 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|1,1,1]=4 697 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|1,1,1]=4 698 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|1,0,1]=3 701 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|1,0,1]=3 702 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|1,0,1]=3 703 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|1,0,1]=3 704 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|1,0,1]=3 705 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|1,0,1]=3 706 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|1,1,1]=4 707 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|1,1,1]=4 708 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|3,0,0]=4 709 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|3,0,0]=4 710 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|3,0,0]=4 711 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|3,0,0]=4 712 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|3,0,0]=4 713 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|3,0,0]=4 714 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|1,0,1]=3 715 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|1,0,1]=3 716 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|1,1,1]=4 717 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|3,0,0]=4 718 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|3,0,0]=4 719 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|3,0,0]=4 720 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|3,0,0]=4 721 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|3,0,0]=4 722 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|3,0,0]=4 723 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|3,0,0]=4 724 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|3,0,0]=4 725 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|3,0,0]=4 728 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|3,0,0]=4 729 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|3,0,0]=4 730 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|3,0,0]=4 731 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 732 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 733 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 734 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,1]=4 735 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,1]=4 736 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 737 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 738 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 739 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|1,0,1]=3 740 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|1,0,1]=3 741 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|1,0,1]=3 742 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|1,0,1]=3 743 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|1,0,1]=3 744 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|1,0,1]=3 745 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|1,0,1]=3 746 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|1,1,1]=4 747 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|1,1,1]=4 748 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|1,1,1]=4 749 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|1,1,1]=4 750 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|1,1,1]=4 751 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|1,1,1]=4 752 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|3,0,0]=4 753 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|3,0,0]=4 754 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|3,0,0]=4 755 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|3,0,0]=4 756 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|3,0,0]=4 757 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|3,0,0]=4 758 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|3,0,0]=4 759 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|3,0,0]=4 760 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,0,0,0,0,0|2,0,1]=4 761 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,0,0,0,0,0|2,0,1]=4 762 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|3,0,0]=4 763 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|3,0,0]=4 764 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|3,0,0]=4 765 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|3,0,0]=4 766 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|1,0,1]=3 767 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|1,0,1]=3 768 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|1,0,1]=3 769 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|1,0,1]=3 770 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|1,0,1]=3 771 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|1,0,1]=3 772 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|3,0,0]=4 773 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|3,0,0]=4 774 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 775 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,1]=4 776 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 777 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 778 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 779 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|2,0,1]=4 782 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|1,0,1]=3 783 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|1,0,1]=3 784 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|1,0,1]=3 785 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,0,0,0,0,0|2,0,1]=4 786 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|1,0,1]=3 787 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|1,0,1]=3 788 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|1,0,1]=3 789 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|1,0,1]=3 790 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|1,0,1]=3 791 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|1,0,1]=3 792 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|1,0,1]=3 793 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 794 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,1]=3 795 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|1,0,1]=3 796 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|1,0,1]=3 797 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|1,0,1]=3 798 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|1,0,1]=3 799 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|1,0,1]=3 800 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|1,0,1]=3 801 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|1,0,1]=3 802 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|1,0,1]=3 803 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|1,0,1]=3 804 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|2,0,1]=4 805 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|2,0,1]=4 811 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|2,0,1]=4 812 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|2,0,1]=4 813 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,0,0,0,0,0|2,0,1]=4 814 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,0,0,0,0,0|2,0,1]=4 815 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,0,0,0,0,0|2,0,1]=4 816 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,0,0,0,0,0|2,0,1]=4 817 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,0,0,0,0,0|2,0,1]=4 818 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,0,0,0,0,0|2,0,1]=4 821 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,0,0,0,0,0|2,0,1]=4 823 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 827 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,1]=4 828 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,1]=4 829 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,0,0,0,0,0|2,0,1]=4 830 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,0,0,0,0,0|2,0,1]=4 831 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,0,0,0,0,0|2,0,1]=4 832 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,0,0,0,0,0|2,0,1]=4 833 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,0,0,0,0,0|2,0,1]=4 834 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,0,0,0,0,0|2,0,1]=4 835 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,0,0,0,0,0|2,0,1]=4 836 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|2,0,1]=4 837 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|2,0,1]=4 838 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,0,0,0,0,0|2,0,1]=4 839 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,0,0,0,0,0|2,0,1]=4 840 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,0,0,0,0,0|2,0,1]=4 841 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,0,0,0,0,0|2,0,1]=4 842 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,0,0,0,0,0|2,0,1]=4 843 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,0,0,0,0,0|2,0,1]=4 844 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,0,0,0,0,0|2,0,1]=4 845 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,0,0,0,0,0|2,0,1]=4 846 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,1]=4 847 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,1]=4 848 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,0,0,0,0,0|2,0,1]=4 849 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,0,0,0,0,0|2,0,1]=4 850 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|1,1,1]=4 851 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|1,1,1]=4 852 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,1,1]=4 853 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,1,1]=4 854 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|1,0,1]=3 855 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|1,0,1]=3 856 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 857 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 858 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|1,0,1]=3 859 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|1,0,1]=3 860 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|1,0,1]=3 861 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|1,0,1]=3 862 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|1,0,1]=3 863 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|1,0,1]=3 864 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 865 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,0,0,0,0,0|2,0,1]=4 866 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,0,0,0,0,0|2,0,1]=4 867 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 868 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 869 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,0,0,0,0,0|2,0,1]=4 870 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,0,0,0,0,0|2,0,1]=4 871 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,0,0,0,0|2,0,1]=4 872 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,0,0,0,0|2,0,1]=4 873 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 874 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|1,1,1]=4 875 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|1,1,1]=4 876 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,1,1]=4 877 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,1,1]=4 878 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|1,0,1]=3 879 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|2,0,1]=4 880 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|2,0,1]=4 881 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|2,0,1]=4 882 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|2,0,1]=4 883 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|1,0,2]=4 884 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|1,0,2]=4 885 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 886 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 887 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 888 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 889 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|1,0,2]=4 890 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|1,0,1]=3 891 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|2,0,1]=4 892 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|2,0,1]=4 893 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|2,0,1]=4 894 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|2,0,1]=4 895 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|2,0,1]=4 896 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|2,0,1]=4 897 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|1,0,2]=4 898 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|1,0,2]=4 899 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,2]=4 900 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 901 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 902 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 903 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|1,0,2]=4 904 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 905 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 906 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|1,0,2]=4 907 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|1,0,2]=4 908 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 909 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 910 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 911 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 912 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|1,0,2]=4 913 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|2,0,1]=4 914 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|2,0,1]=4 915 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,0]=3 916 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|2,0,0]=3 917 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|2,0,0]=3 918 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|2,0,0]=3 919 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|2,0,0]=3 920 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|2,0,0]=3 921 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|3,0,0]=4 922 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|3,0,0]=4 923 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|3,0,0]=4 924 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 925 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 926 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 927 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|3,0,0]=4 928 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|3,0,0]=4 929 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|3,0,0]=4 930 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|1,0,2]=4 931 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,2]=4 932 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 933 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 934 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|1,0,0]=2 935 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|1,0,0]=2 936 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,0]=3 937 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|2,0,0]=3 938 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,0]=2 939 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 940 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 941 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 942 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 943 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 944 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 945 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 946 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 947 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 948 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|1,0,1]=3 949 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|1,0,1]=3 950 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|1,0,1]=3 951 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|1,0,1]=3 952 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|1,0,1]=3 953 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|1,1,1]=4 954 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|1,1,1]=4 955 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|1,1,1]=4 956 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|1,1,1]=4 957 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|3,0,0]=4 958 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 959 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 960 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|3,0,0]=4 961 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|3,0,0]=4 962 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|3,0,0]=4 963 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 964 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|3,0,0]=4 965 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 966 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 967 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 968 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|2,0,0]=3 969 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 970 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|3,0,0]=4 971 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 972 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 973 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 974 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 975 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 976 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 977 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,0,0,0,0|2,0,1]=4 978 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,0,0,0,0|2,0,1]=4 979 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,0]=3 980 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,0]=3 981 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|1,0,0]=2 982 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,0,0,0,0|2,0,1]=4 983 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|3,0,0]=4 984 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 985 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 986 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 987 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|2,0,0]=3 988 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|2,0,0]=3 989 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|3,0,0]=4 990 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,0]=3 991 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 992 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 993 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,0]=3 994 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,0]=3 995 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 996 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|1,0,0]=2 997 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,0,0,0,0,0|2,0,1]=4 998 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,0,0,0,0,0|2,0,1]=4 999 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,0,0,0,0,0|2,0,1]=4 1000 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,0,0,0,0,0|2,0,1]=4 1001 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,0,0,0,0,0|2,0,1]=4 1002 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|2,0,0]=3 1003 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|2,0,0]=3 1004 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|2,0,0]=3 1005 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|3,0,0]=4 1006 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,0]=3 1007 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 1008 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 1009 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 1010 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,0]=3 1011 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,0]=3 1012 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|1,0,0]=2 1013 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|1,0,0]=2 1014 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 1015 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 1016 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 1017 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 1018 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 1019 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 1020 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,0]=3 1021 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 1022 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 1023 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,0]=3 1024 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,0]=3 1025 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 1026 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,0]=3 1027 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,0]=3 1028 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 1029 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 1030 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 1031 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,0]=3 1032 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,0]=3 1033 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,0]=3 1034 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,0]=3 1035 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,0,0,0,0,0|3,0,0]=4 1036 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,0,0,0,0,0|3,0,0]=4 1037 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,0,0,0,0,0|3,0,0]=4 1038 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 1039 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 1040 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 1041 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 1042 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 1043 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 1044 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 1045 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 1046 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 1047 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 1048 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 1049 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 1050 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 1051 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 1052 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|1,0,0]=2 1053 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|1,0,0]=2 1054 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|1,0,0]=2 1055 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|1,0,0]=2 1056 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|1,0,0]=2 1057 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|1,0,0]=2 1058 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|2,0,0]=3 1059 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|2,0,0]=3 1060 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|2,0,0]=3 1061 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|2,0,0]=3 1062 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 1063 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 1064 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,0,0,0,0|2,0,1]=4 1065 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|3,0,0]=4 1066 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|3,0,0]=4 1067 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|1,0,0]=2 1068 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,0,0,0,0|2,0,1]=4 1069 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|3,0,0]=4 1070 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|3,0,0]=4 1071 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|3,0,0]=4 1072 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|3,0,0]=4 1073 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|0,0,2]=3 1074 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|0,0,2]=3 1075 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|0,0,2]=3 1076 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1077 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1078 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 1079 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 1080 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 1081 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,0,0,0,0,0|1,0,2]=4 1082 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,0,0,0,0,0|1,0,2]=4 1083 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,0,0,0,0,0|1,0,2]=4 1084 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|2,0,1]=4 1085 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,0]=3 1086 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,0]=3 1087 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,0]=3 1088 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,0,0,0,0,0|3,0,0]=4 1089 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,0]=3 1090 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,0]=3 1091 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [1,0,0,0,0,0|3,0,0]=4 1092 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [1,0,0,0,0,0|3,0,0]=4 1093 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [1,0,0,0,0,0|3,0,0]=4 1094 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|3,0,0]=4 1095 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|3,0,0]=4 1096 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,0,0,0,0,0|3,0,0]=4 1097 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,0]=3 1098 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,0]=3 1099 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,0,0,0,0,0|3,0,0]=4 1100 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,0,0,0,0,0|3,0,0]=4 1101 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,0,0,0,0,0|3,0,0]=4 1102 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,0,0,0,0,0|3,0,0]=4 1103 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,0]=3 1104 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,0]=3 1105 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,0,0,0,0,0|3,0,0]=4 1106 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,0,0,0,0,0|3,0,0]=4 1107 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,0,0,0,0,0|3,0,0]=4 1108 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,0,0,0,0,0|3,0,0]=4 1109 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,0,0,0,0|3,0,0]=4 1110 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,0,0,0,0|3,0,0]=4 1111 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,0,0,0,0,0|3,0,0]=4 1112 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,0,0,0,0,0|3,0,0]=4 1113 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|2,0,1]=4 1114 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|2,0,1]=4 1115 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|2,0,1]=4 1116 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|2,0,1]=4 1117 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|0,0,2]=3 1118 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|0,0,2]=3 1119 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|0,0,2]=3 1120 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1121 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1122 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 1123 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 1124 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,2]=4 1125 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|1,0,2]=4 1126 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|1,0,2]=4 1127 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|1,0,2]=4 1128 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|1,0,2]=4 1129 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 1130 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 1131 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 1132 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,1]=4 1133 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,1]=4 1134 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,0,0,0,0,0|1,0,2]=4 1135 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,1]=3 1136 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,1]=3 1137 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,0]=2 1138 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,0]=2 1139 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,0]=2 1140 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,0]=2 1141 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,0]=2 1142 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,0]=2 1143 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,0]=2 1144 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,0,0,0,0,0|3,0,0]=4 1145 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|2,0,0]=3 1146 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|2,0,0]=3 1147 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|2,0,0]=3 1148 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|2,0,0]=3 1149 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|2,0,1]=4 1150 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,0]=3 1151 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,0]=3 1152 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,0]=3 1153 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,0,0,0,0,0|2,0,1]=4 1154 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1155 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1156 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 1157 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 1158 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1159 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1160 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 1161 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 1162 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 1163 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 1164 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 1165 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,0]=3 1166 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,0]=3 1167 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,0]=3 1168 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 1169 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,0]=3 1170 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,0]=3 1171 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|3,0,0]=4 1172 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|3,0,0]=4 1173 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 1174 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,1]=4 1175 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 1176 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,1]=4 1177 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,1]=4 1178 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,1]=4 1179 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,2]=4 1180 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,2]=4 1181 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,2]=3 1182 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,2]=3 1183 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,2]=3 1184 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|0,0,2]=3 1185 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 1186 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|0,0,2]=3 1187 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|0,0,2]=3 1188 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,2]=3 1189 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,2]=3 1190 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,0]=1 1191 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,0]=1 1192 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,0]=1 1193 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1194 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,0]=3 1195 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,0]=3 1196 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,0]=3 1197 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1198 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,0]=3 1199 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1200 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1201 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 1202 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,0]=2 1203 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 1204 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 1205 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 1206 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 1207 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 1208 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 1209 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 1210 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 1211 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 1212 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 1213 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,0]=2 1214 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 1215 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,1]=4 1216 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 1217 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 1218 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 1219 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 1220 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,0]=2 1221 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,0]=2 1222 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 1223 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,0]=2 1224 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,1]=3 1225 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,0,0,0,0|2,0,1]=4 1226 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,1]=4 1227 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,1]=4 1228 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,0,0,0,0|2,0,1]=4 1229 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|1,0,2]=4 1230 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,0,0,0,0|2,0,1]=4 1231 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,0,0,0,0|2,0,1]=4 1232 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|1,0,2]=4 1233 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|2,0,1]=4 1234 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,0]=2 1235 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 1236 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 1237 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,0]=2 1238 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,1]=3 1239 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,1]=3 1240 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,1]=4 1241 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,1]=4 1242 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|1,0,2]=4 1243 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|1,0,2]=4 1244 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|1,0,2]=4 1245 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|1,0,2]=4 1246 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|2,0,1]=4 1247 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|2,0,1]=4 1248 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|2,0,1]=4 1249 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 1250 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,1]=4 1251 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,1]=4 1252 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,2]=4 1253 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,2]=4 1254 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,0]=3 1255 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,2]=4 1256 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,2]=4 1257 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|2,0,1]=4 1258 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|2,0,1]=4 1259 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,0]=2 1260 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,0]=2 1261 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,0]=2 1262 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,0]=2 1263 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1264 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 1265 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1266 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,0]=2 1267 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,1]=4 1268 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 1269 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|2,0,1]=4 1270 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 1271 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,2]=4 1272 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1273 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|3,0,0]=4 1274 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 1275 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|2,0,0]=3 1276 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|2,0,1]=4 1277 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|2,0,1]=4 1278 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,0]=2 1279 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,0]=2 1280 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,0]=2 1281 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,0]=2 1282 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 1283 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 1284 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,0]=2 1285 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|2,0,1]=4 1286 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|2,0,1]=4 1287 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,0,2]=4 1288 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,0,2]=4 1289 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1290 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|3,0,0]=4 1291 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|3,0,0]=4 1292 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|2,0,0]=3 1293 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|2,0,0]=3 1294 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1295 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|3,0,0]=4 1296 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1297 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1298 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|3,0,0]=4 1299 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|3,0,0]=4 1300 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|3,0,0]=4 1301 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1302 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|3,0,0]=4 1303 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1304 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,1]=4 1305 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,1]=4 1306 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,0]=2 1307 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,0]=2 1308 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1309 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1310 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 1311 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1312 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1313 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,1]=4 1314 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,1]=4 1315 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,1]=4 1316 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1317 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,2]=4 1318 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,2]=4 1319 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 1320 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,0]=3 1321 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 1322 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1323 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 1324 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1325 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 1326 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1327 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,0]=3 1328 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,0]=3 1329 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1330 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 1331 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,2]=4 1332 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,2]=4 1333 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,0,1]=4 1334 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,0]=2 1335 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,0]=2 1336 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,0]=2 1337 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,0]=2 1338 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,0]=2 1339 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 1340 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,0]=2 1341 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 1342 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,1]=4 1343 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,1]=4 1344 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|1,0,2]=4 1345 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1346 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1347 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1348 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 1349 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1350 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1351 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 1352 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 1353 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 1354 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,0]=3 1355 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,0]=3 1356 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1357 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,0,0]=3 1358 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 1359 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 1360 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 1361 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 1362 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 1363 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 1364 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 1365 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 1366 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,0]=3 1367 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,1]=4 1368 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,1]=4 1369 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,0]=2 1370 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,0]=2 1371 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,0]=2 1372 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 1373 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 1374 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,0]=2 1375 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,1]=4 1376 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,1]=4 1377 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,2]=4 1378 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,2]=4 1379 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|3,0,0]=4 1380 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1381 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1382 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 1383 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,0]=3 1384 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,0]=3 1385 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,0]=3 1386 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 1387 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 1388 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,0]=3 1389 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,0]=3 1390 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 1391 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 1392 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 1393 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 1394 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,0]=3 1395 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 1396 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 1397 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,1]=4 1398 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,1]=4 1399 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 1400 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1401 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1402 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 1403 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 1404 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 1405 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 1406 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 1407 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 1408 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 1409 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 1410 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 1411 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 1412 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 1413 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 1414 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 1415 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|2,0,1]=4 1416 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 1417 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,0]=3 1418 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 1419 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 1420 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|2,0,1]=4 1421 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 1422 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 1423 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 1424 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 1425 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|2,0,1]=4 1426 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,1]=4 1427 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,1]=3 1428 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,0]=2 1429 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,0,0,0,0,0|3,0,0]=4 1430 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,0]=3 1431 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,0,0,0,0,0|2,0,1]=4 1432 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1433 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 1434 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 1435 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1436 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 1437 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 1438 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 1439 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 1440 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 1441 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 1442 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 1443 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,0|1,0,2]=4 1444 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,0|1,0,1]=3 1445 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|1,0,1]=3 1446 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,1,0,0,0,0|2,0,1]=4 1447 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,1,0,0,0,0|2,0,1]=4 1448 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,1,0,0,0,0|2,0,1]=4 1449 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,0|1,0,1]=3 1454 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,1,0,0,0,0|2,0,1]=4 1455 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,1,0,0,0,0|2,0,1]=4 1456 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,1,0,0,0,0|2,0,1]=4 1457 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,0|1,0,1]=3 1459 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,0|1,0,1]=3 1460 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,1,0,0,0,0|1,0,2]=4 1461 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,1,0,0,0,0|1,0,2]=4 1462 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,1,0,0,0,0|1,0,2]=4 1463 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|1,0,2]=4 1464 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,0|1,0,1]=3 1465 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|1,0,1]=3 1466 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,0|2,0,1]=4 1471 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|2,0,1]=4 1473 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|2,0,0]=3 1474 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|2,0,0]=3 1475 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,1]=4 1476 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|1,0,1]=3 1477 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|1,0,1]=3 1478 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,0|3,0,0]=4 1482 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,0|3,0,0]=4 1483 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|2,0,0]=3 1484 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,0|3,0,0]=4 1485 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,0|3,0,0]=4 1486 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|1,0,2]=4 1487 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|1,0,2]=4 1488 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|1,0,1]=3 1489 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|2,0,1]=4 1490 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|1,0,0]=2 1491 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|1,0,0]=2 1492 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|1,0,0]=2 1493 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|2,0,0]=3 1494 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,1,0,0,0,0|3,0,0]=4 1495 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|2,0,1]=4 1496 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|2,0,1]=4 1497 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|2,0,1]=4 1498 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|2,0,0]=3 1499 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|2,0,1]=4 1500 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|2,0,0]=3 1501 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|2,0,0]=3 1502 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|2,0,0]=3 1503 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|2,0,0]=3 1504 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|2,0,0]=3 1506 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|2,0,0]=3 1507 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|2,0,0]=3 1508 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|2,0,0]=3 1509 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|2,0,0]=3 1510 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [0,1,0,0,0,0|3,0,0]=4 1511 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [0,1,0,0,0,0|3,0,0]=4 1512 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|2,0,0]=3 1513 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|2,0,0]=3 1514 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 1515 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 1516 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 1517 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 1518 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|2,0,0]=3 1519 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|2,0,0]=3 1520 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,0|3,0,0]=4 1521 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,0|3,0,0]=4 1522 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,0,0,0,0|3,0,0]=4 1523 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,0,0,0,0|3,0,0]=4 1524 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|3,0,0]=4 1525 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|3,0,0]=4 1526 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|3,0,0]=4 1527 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|3,0,0]=4 1528 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,0|3,0,0]=4 1529 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,0|1,0,2]=4 1530 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 1531 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 1532 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|1,0,1]=3 1533 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,0]=2 1534 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1535 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1536 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1537 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|1,0,0]=2 1538 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|1,0,0]=2 1539 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,0|2,0,0]=3 1540 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1541 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,0|2,0,0]=3 1542 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1543 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,1,0,0,0,0|3,0,0]=4 1544 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1545 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1546 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,1,0,0,0,0|3,0,0]=4 1547 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 1548 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,0|2,0,1]=4 1549 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1550 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 1551 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1552 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,0|2,0,1]=4 1553 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 1554 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 1555 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,0|2,0,0]=3 1556 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 1557 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,0|2,0,0]=3 1558 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,0|2,0,0]=3 1559 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,0|2,0,0]=3 1560 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,0|2,0,1]=4 1561 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,0|2,0,1]=4 1562 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,0|2,0,0]=3 1563 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,0|2,0,0]=3 1564 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 1565 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,0|2,0,0]=3 1566 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,0|2,0,0]=3 1567 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 1568 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|2,0,0]=3 1569 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|2,0,0]=3 1570 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|2,0,0]=3 1571 B9R0.1 CNC(=O)CNCC(F)F 2230a_100000693194_100011934356 [0,1,0,0,0,0|3,0,0]=4 1572 B9R0.1 CNC(=O)CNCC(F)F 34a_100000765723_100000183359 [0,1,0,0,0,0|3,0,0]=4 1573 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|2,0,0]=3 1574 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,0,0,0,0|2,0,1]=4 1575 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,0|2,0,0]=3 1576 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,0|2,0,0]=3 1577 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1578 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1579 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,0|2,0,0]=3 1580 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,0|2,0,0]=3 1581 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1582 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,0|2,0,0]=3 1583 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|2,0,0]=3 1584 B9R0.1 CNC(=O)COCC(F)F 34a_100000743014_100000183359 [0,1,0,0,0,0|3,0,0]=4 1585 B9R0.1 CNC(=O)COCC(F)F 34a_100000750040_100011934356 [0,1,0,0,0,0|3,0,0]=4 1586 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,0|2,0,0]=3 1587 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,0|2,0,0]=3 1588 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|2,0,0]=3 1589 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,0|2,0,0]=3 1590 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,0|2,0,0]=3 1591 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|2,0,0]=3 1592 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|2,0,0]=3 1593 B9R0.1 CNC(=O)CSCC(F)F 62a_100000183359_100011934356 [0,1,0,0,0,0|3,0,0]=4 1594 B9R0.1 CNC(=O)CSCC(F)F 62a_100011934356_100000183359 [0,1,0,0,0,0|3,0,0]=4 1595 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|2,0,0]=3 1596 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|2,0,0]=3 1597 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|2,0,0]=3 1598 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|2,0,0]=3 1599 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|2,0,0]=3 1600 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|2,0,0]=3 1601 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|2,0,0]=3 1602 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|2,0,0]=3 1603 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|2,0,0]=3 1604 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 1605 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|2,0,0]=3 1606 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 1607 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1608 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,0|3,0,0]=4 1609 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1610 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,0|3,0,0]=4 1611 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,1,0,0,0,0|3,0,0]=4 1612 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,1,0,0,0,0|3,0,0]=4 1613 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,1,0,0,0,0|3,0,0]=4 1614 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,1,0,0,0,0|3,0,0]=4 1615 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,1,0,0,0,0|3,0,0]=4 1616 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,0|3,0,0]=4 1618 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,0|1,0,2]=4 1621 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,0|1,0,2]=4 1622 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|0,0,1]=2 1624 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|0,0,1]=2 1625 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|0,0,1]=2 1626 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|1,0,0]=2 1627 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|1,0,0]=2 1628 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|1,0,0]=2 1629 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|1,0,0]=2 1630 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|1,0,1]=3 1631 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|1,0,0]=2 1632 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|1,0,0]=2 1633 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|1,0,0]=2 1634 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|1,0,0]=2 1635 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|1,0,0]=2 1636 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|1,0,0]=2 1639 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|1,0,0]=2 1640 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|1,0,0]=2 1641 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|1,0,0]=2 1642 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,1,0,0,0,0|2,0,0]=3 1643 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|1,0,1]=3 1644 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,0|1,0,0]=2 1645 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,0|1,0,0]=2 1646 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,0|1,0,0]=2 1647 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,1,0,0,0,0|2,0,0]=3 1648 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,0|1,0,0]=2 1649 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,0|1,0,0]=2 1650 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|1,0,1]=3 1651 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|1,0,1]=3 1654 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,1,0,0,0,0|2,0,1]=4 1655 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,1,0,0,0,0|2,0,1]=4 1656 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,0|1,0,0]=2 1657 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,0|1,0,0]=2 1658 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|1,0,0]=2 1659 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|1,0,0]=2 1660 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,1,0,0,0,0|2,0,0]=3 1661 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,1,0,0,0,0|2,0,0]=3 1662 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|1,0,0]=2 1663 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|1,0,0]=2 1664 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,1,0,0,0,0|3,0,0]=4 1665 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,0|2,0,0]=3 1666 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|1,0,1]=3 1667 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|1,0,1]=3 1668 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,0|2,0,1]=4 1669 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,1,0,0,0,0|2,0,1]=4 1671 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,1,0,0,0,0|2,0,1]=4 1672 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,0|2,0,1]=4 1674 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,1,0,0,0,0|2,0,1]=4 1675 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,1,0,0,0,0|2,0,1]=4 1676 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,1,0,0,0,0|2,0,1]=4 1677 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,1,0,0,0,0|2,0,1]=4 1678 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,1,0,0,0,0|2,0,1]=4 1679 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,1,0,0,0,0|2,0,1]=4 1680 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|1,0,1]=3 1681 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|1,0,1]=3 1682 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,1,0,0,0,0|2,0,1]=4 1683 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,1,0,0,0,0|2,0,1]=4 1684 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,1,0,0,0,0|2,0,1]=4 1685 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,1,0,0,0,0|2,0,1]=4 1686 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,1,0,0,0,0|2,0,1]=4 1687 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,1,0,0,0,0|2,0,1]=4 1688 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,1,0,0,0,0|2,0,1]=4 1689 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,1,0,0,0,0|2,0,1]=4 1690 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,1,0,0,0,0|2,0,1]=4 1691 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,1,0,0,0,0|2,0,1]=4 1692 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,1,0,0,0,0|2,0,1]=4 1693 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,1,0,0,0,0|2,0,1]=4 1694 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,1,0,0,0,0|2,0,1]=4 1695 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,1,0,0,0,0|2,0,1]=4 1696 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,1,0,0,0,0|1,0,2]=4 1697 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,1,0,0,0,0|1,0,2]=4 1698 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,1,0,0,0,0|1,0,2]=4 1699 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,1,0,0,0,0|1,0,2]=4 1700 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,1,0,0,0,0|1,0,2]=4 1701 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,1,0,0,0,0|1,0,2]=4 1702 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,1,0,0,0,0|1,0,2]=4 1703 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,1,0,0,0,0|0,0,2]=3 1704 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,1,0,0,0,0|0,1,2]=4 1705 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 1706 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 1707 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,1,0,0,0,0|1,0,2]=4 1708 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,1,0,0,0,0|1,0,2]=4 1709 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 1710 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 1711 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 1712 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,1,0,0,0,0|1,0,2]=4 1713 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,1,0,0,0,0|1,0,2]=4 1714 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,1,0,0,0,0|1,0,2]=4 1715 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,1,0,0,0,0|1,0,2]=4 1716 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|1,0,1]=3 1717 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|1,0,1]=3 1718 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,0,0,0,0|2,0,1]=4 1721 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,0,0,0,0|2,0,1]=4 1722 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,0,0,0,0|2,0,1]=4 1723 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,0,0,0,0|2,0,1]=4 1724 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,0,0,0,0|2,0,1]=4 1725 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,0,0,0,0|2,0,1]=4 1726 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,0,0,0,0|2,0,1]=4 1727 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,0,0,0,0|2,0,1]=4 1728 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,0,0,0,0|2,0,1]=4 1729 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,0,0,0,0|2,0,1]=4 1730 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 1733 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,0,0,0,0|2,0,1]=4 1734 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,1,0,0,0,0|1,0,2]=4 1735 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,1,0,0,0,0|1,0,2]=4 1736 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,1,0,0,0,0|1,0,2]=4 1737 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,1,0,0,0,0|1,0,2]=4 1738 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,1,0,0,0,0|1,0,2]=4 1739 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|1,0,2]=4 1740 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|1,0,2]=4 1741 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,1,0,0,0,0|0,0,2]=3 1742 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,1,0,0,0,0|0,1,2]=4 1743 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,1,0,0,0,0|1,0,2]=4 1744 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,1,0,0,0,0|1,0,2]=4 1745 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,1,0,0,0,0|1,0,2]=4 1746 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,1,0,0,0,0|1,0,2]=4 1747 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 1748 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 1749 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 1750 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,1,0,0,0,0|1,0,2]=4 1751 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,1,0,0,0,0|1,0,2]=4 1752 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,1,0,0,0,0|1,0,2]=4 1753 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,1,0,0,0,0|1,0,2]=4 1754 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,1,0,0,0,0|1,0,2]=4 1755 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,1,0,0,0,0|2,0,1]=4 1756 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,1,0,0,0,0|2,0,1]=4 1757 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,1,0,0,0,0|2,0,1]=4 1758 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,1,0,0,0,0|2,0,1]=4 1759 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,0,0,0,0|1,0,1]=3 1760 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,0,0,0,0|1,0,1]=3 1762 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,0,0,0,0|1,0,1]=3 1763 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,1,0,0,0,0|2,0,1]=4 1764 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,1,0,0,0,0|2,0,1]=4 1765 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,1,0,0,0,0|2,0,1]=4 1766 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,1,0,0,0,0|2,0,1]=4 1767 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,0,0,0,0|2,0,1]=4 1768 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,0,0,0,0|2,0,1]=4 1769 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,0,0,0,0|2,0,1]=4 1770 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,0,0,0,0|2,0,1]=4 1771 B9R0.5 C=COCCC(=O)COC 1458a_100000210968_100000039644 [0,1,0,0,0,0|1,0,2]=4 1772 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,1,0,0,0,0|1,0,2]=4 1773 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,1,0,0,0,0|1,0,2]=4 1774 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,1,0,0,0,0|2,0,1]=4 1775 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|1,0,0]=2 1776 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,1,0,0,0,0|2,0,0]=3 1777 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,1,0,0,0,0|2,0,0]=3 1778 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,1,0,0,0,0|2,0,0]=3 1779 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,1,0,0,0,0|2,0,0]=3 1780 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,1,0,0,0,0|2,0,0]=3 1781 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,1,0,0,0,0|3,0,0]=4 1782 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,1,0,0,0,0|1,0,2]=4 1783 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,1,0,0,0,0|1,0,2]=4 1784 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,1,0,0,0,0|1,0,2]=4 1785 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|1,0,2]=4 1786 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,1,0,0,0,0|1,0,2]=4 1787 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,0,0,0,0|1,0,2]=4 1788 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 1789 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 1790 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|1,0,2]=4 1791 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,1,0,0,0,0|1,0,2]=4 1792 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|1,0,2]=4 1793 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,0,0,0,0|1,0,2]=4 1794 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|0,0,2]=3 1795 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,1,0,0,0,0|0,1,2]=4 1796 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,1,0,0,0,0|1,0,2]=4 1797 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,1,0,0,0,0|1,0,2]=4 1798 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,1,0,0,0,0|2,0,1]=4 1799 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|1,0,0]=2 1800 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|2,0,0]=3 1801 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|2,0,0]=3 1802 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|2,0,0]=3 1804 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|2,0,0]=3 1805 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|2,0,0]=3 1806 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|2,0,0]=3 1807 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|2,0,0]=3 1808 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,1,0,0,0,0|3,0,0]=4 1809 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,1,0,0,0,0|3,0,0]=4 1810 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,1,0,0,0,0|3,0,0]=4 1811 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,1,0,0,0,0|3,0,0]=4 1812 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,1,0,0,0,0|3,0,0]=4 1813 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,1,0,0,0,0|3,0,0]=4 1814 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,1,0,0,0,0|3,0,0]=4 1815 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,1,0,0,0,0|3,0,0]=4 1816 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,1,0,0,0,0|3,0,0]=4 1817 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,1,0,0,0,0|3,0,0]=4 1818 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,1,0,0,0,0|1,0,2]=4 1819 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,1,0,0,0,0|1,0,2]=4 1820 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,1,0,0,0,0|0,0,2]=3 1821 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,1,0,0,0,0|0,1,2]=4 1822 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,1,0,0,0,0|2,0,1]=4 1823 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,1,0,0,0,0|1,0,2]=4 1824 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,1,0,0,0,0|1,0,2]=4 1825 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,1,0,0,0,0|1,0,2]=4 1826 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,1,0,0,0,0|1,0,2]=4 1827 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,1,0,0,0,0|1,0,2]=4 1828 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,1,0,0,0,0|2,0,1]=4 1830 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|2,0,0]=3 1831 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|2,0,0]=3 1832 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|2,0,0]=3 1833 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|2,0,0]=3 1834 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|2,0,0]=3 1835 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|2,0,0]=3 1836 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|2,0,0]=3 1837 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|2,0,0]=3 1838 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|2,0,0]=3 1839 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|2,0,0]=3 1840 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|3,0,0]=4 1841 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|3,0,0]=4 1842 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,1,0,0,0,0|3,0,0]=4 1843 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,1,0,0,0,0|3,0,0]=4 1844 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|3,0,0]=4 1845 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|3,0,0]=4 1846 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,1,0,0,0,0|3,0,0]=4 1847 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,1,0,0,0,0|3,0,0]=4 1848 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,1,0,0,0,0|3,0,0]=4 1849 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,1,0,0,0,0|3,0,0]=4 1850 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1853 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,1,0,0,0,0|3,0,0]=4 1856 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,1,0,0,0,0|3,0,0]=4 1857 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,1,0,0,0,0|3,0,0]=4 1858 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,1,0,0,0,0|3,0,0]=4 1859 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,1,0,0,0,0|3,0,0]=4 1860 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,1,0,0,0,0|3,0,0]=4 1861 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,1,0,0,0,0|3,0,0]=4 1862 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,1,0,0,0,0|3,0,0]=4 1863 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,1,0,0,0,0|3,0,0]=4 1864 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,1,0,0,0,0|3,0,0]=4 1865 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,1,0,0,0,0|3,0,0]=4 1866 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,1,0,0,0,0|1,0,2]=4 1867 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,1,0,0,0,0|1,0,2]=4 1868 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,0,0,0,0|1,0,2]=4 1869 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,0,0,0,0|1,0,2]=4 1870 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,0,0,0,0|1,0,2]=4 1871 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,1,0,0,0,0|1,0,2]=4 1872 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|1,0,1]=3 1873 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|1,0,1]=3 1874 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|1,0,1]=3 1875 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|1,0,1]=3 1876 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|1,0,1]=3 1877 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|1,0,0]=2 1878 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|1,0,0]=2 1879 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|1,0,0]=2 1880 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|1,0,0]=2 1881 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|1,0,0]=2 1882 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|1,0,0]=2 1883 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|1,0,0]=2 1884 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|1,0,0]=2 1885 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|0,0,0]=1 1886 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|0,0,0]=1 1887 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|0,1,0]=2 1888 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|0,1,0]=2 1889 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|0,1,0]=2 1890 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|0,1,0]=2 1891 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|0,1,0]=2 1892 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|1,0,0]=2 1893 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|1,0,0]=2 1894 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|1,0,0]=2 1895 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|1,0,0]=2 1896 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|2,0,1]=4 1897 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|2,0,1]=4 1898 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|2,0,1]=4 1899 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|1,0,1]=3 1900 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|1,0,1]=3 1901 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|1,0,1]=3 1902 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|1,0,1]=3 1903 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|1,0,1]=3 1904 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|1,1,1]=4 1905 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|1,1,1]=4 1906 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|1,1,1]=4 1907 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|1,1,1]=4 1908 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,0,0,0,0|3,0,0]=4 1909 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,0,0,0,0|3,0,0]=4 1910 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,0,0,0,0|3,0,0]=4 1911 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,0,0,0,0|3,0,0]=4 1913 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,0,0,0,0|3,0,0]=4 1914 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,1,0,0,0,0|3,0,0]=4 1915 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,1,0,0,0,0|3,0,0]=4 1916 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,1,0,0,0,0|3,0,0]=4 1917 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,1,0,0,0,0|3,0,0]=4 1918 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,1,0,0,0,0|3,0,0]=4 1919 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,1,0,0,0,0|3,0,0]=4 1920 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,1,0,0,0,0|2,0,0]=3 1923 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,1,0,0,0,0|2,0,0]=3 1924 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,1,0,0,0,0|2,1,0]=4 1925 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,1,0,0,0,0|2,1,0]=4 1926 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,0,0,0,0|3,0,0]=4 1928 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,1,0,0,0,0|3,0,0]=4 1930 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,0,0,0,0|2,0,1]=4 1931 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,0,0,0,0|2,0,1]=4 1932 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,0,0,0,0|2,0,1]=4 1933 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,0,0,0,0|2,0,1]=4 1934 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,0,0,0,0|2,0,1]=4 1935 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,0,0,0,0|2,0,1]=4 1936 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,1,0,0,0,0|2,0,1]=4 1937 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,1,0,0,0,0|2,0,1]=4 1938 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1939 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1940 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1941 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|2,0,0]=3 1942 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|2,0,0]=3 1943 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,1,0,0,0,0|2,0,0]=3 1944 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,1,0,0,0,0|2,0,0]=3 1945 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,1,0,0,0,0|2,0,0]=3 1946 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 1947 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 1948 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 1949 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,1,0,0,0,0|1,0,0]=2 1950 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,1,0,0,0,0|1,0,0]=2 1951 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,1,0,0,0,0|1,1,0]=3 1952 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,1,0,0,0,0|1,1,0]=3 1953 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,1,0,0,0,0|1,1,0]=3 1954 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,1,0,0,0,0|1,1,0]=3 1955 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,1,0,0,0,0|1,1,0]=3 1956 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,1,0,0,0,0|1,1,0]=3 1957 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,1,0,0,0,0|1,1,0]=3 1958 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,1,0,0,0,0|1,1,0]=3 1959 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1961 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1962 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1963 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|2,0,0]=3 1964 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|2,0,0]=3 1965 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,1,0,0,0,0|2,0,0]=3 1966 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,1,0,0,0,0|2,0,0]=3 1967 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,1,0,0,0,0|2,0,0]=3 1968 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,1,0,0,0,0|2,0,1]=4 1969 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,1,0,0,0,0|2,0,1]=4 1970 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,1,0,0,0,0|2,0,1]=4 1971 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,1,0,0,0,0|2,0,1]=4 1972 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,1,0,0,0,0|2,0,0]=3 1973 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,1,0,0,0,0|2,0,0]=3 1974 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,1,0,0,0,0|2,0,0]=3 1975 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,1,0,0,0,0|1,0,0]=2 1976 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,1,0,0,0,0|1,1,0]=3 1977 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,1,0,0,0,0|1,1,0]=3 1978 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,1,0,0,0,0|1,1,0]=3 1979 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,1,0,0,0,0|1,1,0]=3 1980 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,0,0,0,0|2,0,1]=4 1981 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,0,0,0,0|2,0,1]=4 1982 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,0,0,0,0|2,0,1]=4 1983 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,1,0,0,0,0|2,0,1]=4 1984 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,1,0,0,0,0|2,0,1]=4 1985 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|2,0,0]=3 1986 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,0,0,0,0|1,0,2]=4 1987 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,0,0,0,0|1,0,2]=4 1988 B9R0.5 CCCNN=C(C)COC 4a_100000740057_100000749346 [0,1,0,0,0,0|3,0,0]=4 1989 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,1,0,0,0,0|3,0,0]=4 1990 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,1,0,0,0,0|3,0,0]=4 1991 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,1,0,0,0,0|2,0,0]=3 1992 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,1,0,0,0,0|2,1,0]=4 1993 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,1,0,0,0,0|3,0,0]=4 1994 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,1,0,0,0,0|3,0,0]=4 1995 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,1,0,0,0,0|3,0,0]=4 1996 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,1,0,0,0,0|3,0,0]=4 1997 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,1,0,0,0,0|3,0,0]=4 1998 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,1,0,0,0,0|2,0,1]=4 1999 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|2,0,0]=3 2000 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|2,0,0]=3 2001 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|2,0,0]=3 2002 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|2,0,0]=3 2003 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|2,0,0]=3 2004 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|2,0,0]=3 2005 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|2,0,0]=3 2006 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,0]=3 2007 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,1,0,0,0,0|2,0,0]=3 2008 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|1,0,0]=2 2009 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,0,0,0,0|2,0,1]=4 2010 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,0,0,0,0|1,0,2]=4 2011 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,1,0,0,0,0|2,0,1]=4 2012 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|2,0,0]=3 2013 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|2,0,0]=3 2014 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|2,0,0]=3 2015 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|2,0,0]=3 2016 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|2,0,0]=3 2017 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|2,0,0]=3 2018 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|2,0,0]=3 2019 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|2,0,0]=3 2020 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|2,0,0]=3 2021 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|2,0,0]=3 2022 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,0,0]=3 2023 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,0,0]=3 2024 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,1,0,0,0,0|2,0,0]=3 2025 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|1,0,0]=2 2026 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|1,0,0]=2 2027 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,0,0,0,0|1,0,2]=4 2028 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,0,0,0,0|1,0,2]=4 2029 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 2030 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 2031 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,1,0,0,0,0|2,0,1]=4 2032 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|2,0,0]=3 2033 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|2,0,0]=3 2034 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|2,0,0]=3 2035 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|2,0,0]=3 2036 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|2,0,0]=3 2037 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|2,0,0]=3 2038 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,1,0,0,0,0|3,0,0]=4 2039 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|2,0,0]=3 2040 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|2,0,0]=3 2041 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|2,0,0]=3 2042 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|2,0,0]=3 2043 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|2,0,0]=3 2044 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|2,0,0]=3 2045 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|2,0,0]=3 2046 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|2,0,0]=3 2047 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,1,0,0,0,0|3,0,0]=4 2048 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,1,0,0,0,0|3,0,0]=4 2049 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,1,0,0,0,0|3,0,0]=4 2050 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,1,0,0,0,0|3,0,0]=4 2051 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,1,0,0,0,0|3,0,0]=4 2052 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,1,0,0,0,0|3,0,0]=4 2053 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,1,0,0,0,0|3,0,0]=4 2054 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,1,0,0,0,0|3,0,0]=4 2055 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,1,0,0,0,0|3,0,0]=4 2056 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,1,0,0,0,0|3,0,0]=4 2057 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,1,0,0,0,0|3,0,0]=4 2058 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,1,0,0,0,0|3,0,0]=4 2059 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,1,0,0,0,0|3,0,0]=4 2060 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,1,0,0,0,0|3,0,0]=4 2061 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,1,0,0,0,0|3,0,0]=4 2062 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,1,0,0,0,0|3,0,0]=4 2063 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,1,0,0,0,0|3,0,0]=4 2064 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,1,0,0,0,0|3,0,0]=4 2065 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,1,0,0,0,0|3,0,0]=4 2066 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,1,0,0,0,0|3,0,0]=4 2067 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,1,0,0,0,0|3,0,0]=4 2068 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,1,0,0,0,0|3,0,0]=4 2069 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,1,0,0,0,0|3,0,0]=4 2070 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,1,0,0,0,0|3,0,0]=4 2071 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,1,0,0,0,0|3,0,0]=4 2072 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,1,0,0,0,0|3,0,0]=4 2073 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,1,0,0,0,0|3,0,0]=4 2074 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,1,0,0,0,0|3,0,0]=4 2075 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,1,0,0,0,0|3,0,0]=4 2076 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,1,0,0,0,0|3,0,0]=4 2077 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,1,0,0,0,0|3,0,0]=4 2078 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,1,0,0,0,0|3,0,0]=4 2079 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,1,0,0,0,0|3,0,0]=4 2080 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,1,0,0,0,0|3,0,0]=4 2081 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,1,0,0,0,0|3,0,0]=4 2082 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,1,0,0,0,0|3,0,0]=4 2083 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,1,0,0,0,0|3,0,0]=4 2084 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,1,0,0,0,0|3,0,0]=4 2085 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,1,0,0,0,0|3,0,0]=4 2086 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|2,0,0]=3 2087 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|2,0,0]=3 2088 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|1,0,0]=2 2089 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,1,0,0,0,0|2,0,1]=4 2090 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 2091 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,1,0,0,0,0|1,0,2]=4 2092 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,1,0,0,0,0|1,0,2]=4 2093 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,1,0,0,0,0|1,0,2]=4 2094 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,1,0,0,0,0|1,0,2]=4 2095 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,1,0,0,0,0|1,0,2]=4 2096 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,1,0,0,0,0|1,0,2]=4 2097 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,1,0,0,0,0|1,0,2]=4 2098 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|1,0,0]=2 2099 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|1,0,0]=2 2100 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|1,0,0]=2 2101 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|1,0,0]=2 2102 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|1,0,0]=2 2103 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|1,0,0]=2 2104 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|1,0,0]=2 2105 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|1,0,0]=2 2106 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|1,0,0]=2 2107 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|1,0,0]=2 2108 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|1,0,0]=2 2109 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|1,0,0]=2 2110 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,1,0,0,0,0|2,0,0]=3 2111 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,1,0,0,0,0|2,0,0]=3 2112 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,1,0,0,0,0|2,0,0]=3 2113 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,1,0,0,0,0|2,0,0]=3 2114 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,1,0,0,0,0|2,0,0]=3 2115 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,1,0,0,0,0|2,0,0]=3 2116 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,1,0,0,0,0|2,0,0]=3 2117 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,1,0,0,0,0|2,0,1]=4 2119 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,1,0,0,0,0|2,0,1]=4 2120 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,1,0,0,0,0|2,0,1]=4 2121 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,1,0,0,0,0|2,0,0]=3 2122 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,1,0,0,0,0|2,0,0]=3 2123 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,1,0,0,0,0|2,0,0]=3 2124 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,1,0,0,0,0|2,0,0]=3 2125 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,1,0,0,0,0|2,0,0]=3 2126 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,1,0,0,0,0|2,0,0]=3 2127 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,1,0,0,0,0|2,0,0]=3 2128 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,1,0,0,0,0|2,0,0]=3 2129 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,1,0,0,0,0|2,0,0]=3 2130 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,1,0,0,0,0|2,0,0]=3 2131 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,1,0,0,0,0|2,0,0]=3 2132 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,1,0,0,0,0|2,0,0]=3 2133 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,1,0,0,0,0|2,0,0]=3 2134 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,1,0,0,0,0|2,0,0]=3 2135 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,1,0,0,0,0|3,0,0]=4 2136 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,0,0,0,0|2,0,1]=4 2137 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,0,0,0,0|2,0,1]=4 2138 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,0,0,0,0|2,0,1]=4 2139 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,0,0,0,0|2,0,1]=4 2140 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,0,0,0,0|2,0,1]=4 2141 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,1,0,0,0,0|2,0,1]=4 2142 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,1,0,0,0,0|2,0,1]=4 2143 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|2,0,0]=3 2144 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|2,0,0]=3 2145 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|2,0,0]=3 2146 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,0,0,0,0|1,0,0]=2 2147 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,1,0,0,0,0|1,1,0]=3 2148 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,1,0,0,0,0|2,0,0]=3 2149 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|1,0,0]=2 2150 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,0,0,0,0|2,0,1]=4 2152 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,0,0,0,0|2,0,1]=4 2153 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,1,0,0,0,0|2,0,1]=4 2154 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,1,0,0,0,0|2,0,1]=4 2155 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|2,0,0]=3 2156 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|2,0,0]=3 2157 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|2,0,0]=3 2158 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,0,0,0,0|1,0,0]=2 2159 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,1,0,0,0,0|1,1,0]=3 2160 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,1,0,0,0,0|2,0,0]=3 2161 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,1,0,0,0,0|3,0,0]=4 2162 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,1,0,0,0,0|3,0,0]=4 2163 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,1,0,0,0,0|3,0,0]=4 2164 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,1,0,0,0,0|3,0,0]=4 2165 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,1,0,0,0,0|3,0,0]=4 2166 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,1,0,0,0,0|3,0,0]=4 2167 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,1,0,0,0,0|3,0,0]=4 2168 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,1,0,0,0,0|2,0,1]=4 2169 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,1,0,0,0,0|2,0,0]=3 2170 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,1,0,0,0,0|2,0,0]=3 2171 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 2172 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,1,0,0,0,0|3,0,0]=4 2173 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,1,0,0,0,0|3,0,0]=4 2174 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,1,0,0,0,0|3,0,0]=4 2175 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,1,0,0,0,0|3,0,0]=4 2176 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,1,0,0,0,0|3,0,0]=4 2177 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 2178 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,1,0,0,0,0|3,0,0]=4 2179 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,1,0,0,0,0|3,0,0]=4 2180 B9R0.5 COCC(=O)CC#CCO 1458a_100000210968_200000047223 [0,1,0,0,0,0|1,0,2]=4 2181 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,1,0,0,0,0|1,0,1]=3 2182 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,1,0,0,0,0|1,0,0]=2 2183 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,1,0,0,0,0|1,0,0]=2 2184 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2185 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2186 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2187 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,1,0,0,0,0|2,0,1]=4 2188 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2189 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2190 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2191 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,1,0,0,0,0|2,0,0]=3 2192 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,1,0,0,0,0|2,0,0]=3 2193 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,1,0,0,0,0|2,0,0]=3 2194 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2195 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2196 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2197 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,1,0,0,0,0|2,0,0]=3 2198 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,1,0,0,0,0|3,0,0]=4 2199 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,0,0,0,0|2,0,1]=4 2200 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,0,0,0,0|2,0,1]=4 2201 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,0,0,0,0|2,0,1]=4 2202 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,1,0,0,0,0|2,0,1]=4 2203 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,1,0,0,0,0|2,0,1]=4 2204 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|2,0,0]=3 2205 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|2,0,0]=3 2206 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|2,0,0]=3 2207 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,1,0,0,0,0|1,0,0]=2 2208 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,1,0,0,0,0|1,1,0]=3 2209 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,1,0,0,0,0|2,0,1]=4 2210 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,1,0,0,0,0|2,0,1]=4 2211 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,1,0,0,0,0|3,0,0]=4 2212 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,1,0,0,0,0|3,0,0]=4 2213 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,1,0,0,0,0|3,0,0]=4 2214 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,1,0,0,0,0|3,0,0]=4 2215 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2216 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2217 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,1,0,0,0,0|2,0,0]=3 2218 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,1,0,0,0,0|2,0,0]=3 2219 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,1,0,0,0,0|2,1,0]=4 2220 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,1,0,0,0,0|2,1,0]=4 2221 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,1,0,0,0,0|2,1,0]=4 2222 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,1,0,0,0,0|2,1,0]=4 2223 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,1,0,0,0,0|2,1,0]=4 2224 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,1,0,0,0,0|2,1,0]=4 2225 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,1,0,0,0,0|2,1,0]=4 2226 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,1,0,0,0,0|2,0,0]=3 2227 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,1,0,0,0,0|2,1,0]=4 2228 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,1,0,0,0,0|2,1,0]=4 2229 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,1,0,0,0,0|2,1,0]=4 2230 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,1,0,0,0,0|2,1,0]=4 2231 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,1,0,0,0,0|3,0,0]=4 2232 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,1,0,0,0,0|3,0,0]=4 2233 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,1,0,0,0,0|3,0,0]=4 2234 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,1,0,0,0,0|3,0,0]=4 2235 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,1,0,0,0,0|2,0,1]=4 2236 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,1,0,0,0,0|1,1,1]=4 2237 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,1,0,0,0,0|1,1,0]=3 2238 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,1,0,0,0,0|1,1,0]=3 2239 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,1,0,0,0,0|2,1,0]=4 2240 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,1,0,0,0,0|2,1,0]=4 2241 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,1,0,0,0,0|2,1,0]=4 2242 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,1,0,0,0,0|2,1,0]=4 2243 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,1,0,0,0,0|2,1,0]=4 2244 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,1,0,0,0,0|2,1,0]=4 2245 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,1,0,0,0,0|2,0,1]=4 2246 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|2,0,0]=3 2247 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|2,0,0]=3 2248 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,1,0,0,0,0|3,0,0]=4 2249 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,1,0,0,0,0|2,1,0]=4 2250 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,1,0,0,0,0|2,1,0]=4 2251 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,1,0,0,0,0|2,1,0]=4 2252 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,1,0,0,0,0|2,1,0]=4 2253 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,1,0,0,0,0|3,0,0]=4 2254 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,1,0,0,0,0|3,0,0]=4 2255 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,1,0,0,0,0|2,0,1]=4 2257 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,1,0,0,0,0|2,0,1]=4 2258 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,1,0,0,0,0|2,0,1]=4 2259 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,1,0,0,0,0|2,0,1]=4 2260 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,1,0,0,0,0|2,0,1]=4 2261 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,1,0,0,0,0|3,0,0]=4 2262 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,0,0,0,0|2,0,1]=4 2263 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,0,0,0,0|2,0,1]=4 2265 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,0,0,0,0|2,0,1]=4 2266 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,0,0,0,0|2,0,1]=4 2267 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,0,0,0,0|2,0,1]=4 2268 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|2,0,0]=3 2269 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,1,0,0,0,0|3,0,0]=4 2270 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|2,0,0]=3 2271 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|2,0,0]=3 2272 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|2,0,0]=3 2273 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,1,0,0,0,0|3,0,0]=4 2274 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,1,0,0,0,0|3,0,0]=4 2275 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,1,0,0,0,0|3,0,0]=4 2276 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,1,0,0,0,0|3,0,0]=4 2277 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,1,0,0,0,0|3,0,0]=4 2278 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,1,0,0,0,0|3,0,0]=4 2279 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,1,0,0,0,0|3,0,0]=4 2280 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,1,0,0,0,0|3,0,0]=4 2281 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,1,0,0,0,0|3,0,0]=4 2282 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,1,0,0,0,0|3,0,0]=4 2283 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,1,0,0,0,0|3,0,0]=4 2284 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,1,0,0,0,0|2,0,1]=4 2285 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|1,0,1]=3 2286 B9R0.8 C#CCNC(C)C(=O)OC 34a_100000212058_100000211248 [0,1,0,0,0,0|1,0,2]=4 2287 B9R0.8 C#CCOC(C)C(=O)OC 34a_100000210247_100000211248 [0,1,0,0,0,0|1,0,2]=4 2288 B9R0.8 C#CCOC(C)C(=O)OC 34a_100011215400_100000184674 [0,1,0,0,0,0|1,0,2]=4 2289 B9R0.8 C#CCSC(C)C(=O)OC 62a_100000038162_100000211248 [0,1,0,0,0,0|1,0,2]=4 2290 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|2,0,1]=4 2291 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,1,0,0,0,0|3,0,0]=4 2292 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|1,0,1]=3 2293 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|1,0,1]=3 2294 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|1,0,1]=3 2295 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|1,0,1]=3 2298 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|2,0,1]=4 2299 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|2,0,1]=4 2300 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [0,1,0,0,0,0|1,0,2]=4 2301 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [0,1,0,0,0,0|1,0,2]=4 2302 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [0,1,0,0,0,0|1,0,2]=4 2303 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [0,1,0,0,0,0|1,0,2]=4 2304 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [0,1,0,0,0,0|1,0,2]=4 2305 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,1,0,0,0,0|3,0,0]=4 2306 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,1,0,0,0,0|3,0,0]=4 2307 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,1,0,0,0,0|3,0,0]=4 2308 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,1,0,0,0,0|3,0,0]=4 2309 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,1,0,0,0,0|3,0,0]=4 2310 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,1,0,0,0,0|3,0,0]=4 2311 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,1,0,0,0,0|3,0,0]=4 2312 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,1,0,0,0,0|3,0,0]=4 2313 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,1,0,0,0,0|3,0,0]=4 2314 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|2,0,0]=3 2315 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 2316 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 2317 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 2318 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 2319 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 2320 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 2321 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 2322 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 2323 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 2324 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 2325 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,0,0,0,0|1,0,2]=4 2326 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,0,0,0,0|1,0,2]=4 2327 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,0,0,0,0|1,0,2]=4 2328 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,0,0,0,0|1,0,2]=4 2329 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|1,0,1]=3 2330 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|1,0,2]=4 2331 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|1,0,0]=2 2332 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|1,0,0]=2 2333 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|2,0,0]=3 2334 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|2,0,0]=3 2335 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|1,0,0]=2 2336 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 2337 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 2338 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|1,0,0]=2 2339 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,1,0,0,0,0|3,0,0]=4 2340 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,1,0,0,0,0|3,0,0]=4 2341 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|1,0,0]=2 2342 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|2,0,0]=3 2343 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|1,0,0]=2 2344 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|1,0,0]=2 2345 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 2346 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 2347 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 2348 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 2349 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 2350 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 2351 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 2352 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 2353 B9R0.8 CCCCN(C)C(C)OC 269982a_100000207549_100009879195 [0,1,0,0,0,0|2,0,1]=4 2354 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|2,0,1]=4 2355 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2356 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2357 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2358 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2359 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|2,0,1]=4 2360 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|2,0,1]=4 2361 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|1,0,1]=3 2362 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|1,0,1]=3 2363 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|1,0,1]=3 2364 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|1,0,1]=3 2365 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|2,0,0]=3 2366 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|2,0,0]=3 2367 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|2,0,0]=3 2368 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,1,0,0,0,0|3,0,0]=4 2369 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|1,0,0]=2 2370 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|1,0,0]=2 2371 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|2,0,0]=3 2372 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|2,0,0]=3 2373 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|2,0,0]=3 2374 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|2,0,0]=3 2375 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|2,0,0]=3 2376 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|1,0,0]=2 2377 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|1,0,0]=2 2378 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|2,0,0]=3 2379 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|2,0,0]=3 2380 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,0,0,0,0|2,0,0]=3 2381 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,0,0,0,0|2,0,0]=3 2382 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,0,0,0,0|2,0,1]=4 2383 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|1,0,1]=3 2384 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|1,0,0]=2 2385 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|1,0,0]=2 2386 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|1,0,0]=2 2387 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|1,0,0]=2 2388 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,0,0,0,0|3,0,0]=4 2389 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|1,0,0]=2 2390 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|1,0,1]=3 2391 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|1,0,1]=3 2392 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|1,0,0]=2 2393 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|1,0,0]=2 2394 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|2,0,1]=4 2395 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|2,0,1]=4 2396 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|2,0,1]=4 2397 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|2,0,1]=4 2398 B9R0.8 CNC(=O)C(C)CNCF 34a_100015187722_100015361967 [0,1,0,0,0,0|3,0,0]=4 2399 B9R0.8 CNC(=O)C(C)NCCF 34a_100000724931_100000731044 [0,1,0,0,0,0|3,0,0]=4 2400 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,1,0,0,0,0|3,0,0]=4 2401 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,1,0,0,0,0|3,0,0]=4 2402 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,1,0,0,0,0|3,0,0]=4 2403 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,1,0,0,0,0|3,0,0]=4 2404 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,1,0,0,0,0|3,0,0]=4 2405 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,1,0,0,0,0|3,0,0]=4 2406 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,1,0,0,0,0|3,0,0]=4 2407 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,1,0,0,0,0|3,0,0]=4 2408 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,1,0,0,0,0|3,0,0]=4 2409 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,1,0,0,0,0|3,0,0]=4 2410 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,1,0,0,0,0|3,0,0]=4 2411 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,1,0,0,0,0|3,0,0]=4 2412 B9R0.8 CNC(=O)C(F)NCCF 34a_100000724931_100009813575 [0,1,0,0,0,0|3,0,0]=4 2413 B9R0.8 CNC(=O)C(F)NCCO 2230a_100016997473_100009813575 [0,1,0,0,0,0|3,0,0]=4 2414 B9R0.8 CNC(=O)C(F)NCCO 34a_100016990907_100009813575 [0,1,0,0,0,0|3,0,0]=4 2415 B9R0.8 CNC(=O)C(F)OCCBr 34a_100000211926_100009813575 [0,1,0,0,0,0|3,0,0]=4 2416 B9R0.8 CNC(=O)C(F)OCCN 34a_100000210304_100009813575 [0,1,0,0,0,0|3,0,0]=4 2417 B9R0.8 CNC(=O)C(F)SCCF 62a_100009813575_100011217306 [0,1,0,0,0,0|3,0,0]=4 2418 B9R0.8 CNC(=O)C(F)SCCF 62a_100011217306_100009813575 [0,1,0,0,0,0|3,0,0]=4 2419 B9R0.8 CNC(=O)C(F)SCCO 62a_100000211926_100009813575 [0,1,0,0,0,0|3,0,0]=4 2420 B9R0.8 CNC(=O)C(F)SCCO 62a_100009813575_100000211926 [0,1,0,0,0,0|3,0,0]=4 2421 B9R0.8 CNC(=O)C(F)SCOC 62a_100000766300_100009813575 [0,1,0,0,0,0|3,0,0]=4 2422 B9R0.8 CNC(=O)C(F)SCOC 62a_100009813575_100000766300 [0,1,0,0,0,0|3,0,0]=4 2423 B9R0.8 CNC(=O)C(F)SCSC 62a_100009813575_100011218213 [0,1,0,0,0,0|3,0,0]=4 2424 B9R0.8 CNC(=O)C(F)SCSC 62a_100011218213_100009813575 [0,1,0,0,0,0|3,0,0]=4 2425 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|2,0,0]=3 2426 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 2427 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 2428 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 2429 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 2430 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 2431 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 2432 B9R0.8 CNC(=O)[C@@H](C)NCCF 2230a_100000684985_100011217306 [0,1,0,0,0,0|3,0,0]=4 2433 B9R0.8 CNC(=O)[C@@H](C)NCCF 34a_100000684985_100011217306 [0,1,0,0,0,0|3,0,0]=4 2434 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 2435 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,1,0,0,0,0|3,0,0]=4 2436 B9R0.8 CNC(=O)[C@@H](C)NCOC 2230a_100000684985_100000766300 [0,1,0,0,0,0|3,0,0]=4 2437 B9R0.8 CNC(=O)[C@@H](C)NCSC 2230a_100000684985_100011218213 [0,1,0,0,0,0|3,0,0]=4 2438 B9R0.8 CNC(=O)[C@@H](C)NCSC 34a_100000684985_100011218213 [0,1,0,0,0,0|3,0,0]=4 2439 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|1,0,0]=2 2440 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|1,0,0]=2 2441 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|1,0,0]=2 2442 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,1,0,0,0,0|2,0,1]=4 2443 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,1,0,0,0,0|2,0,1]=4 2444 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,0,0,0,0|2,0,1]=4 2445 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,0,0,0,0|2,0,1]=4 2446 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,0,0,0,0|2,0,1]=4 2447 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,0,0,0,0|2,0,1]=4 2448 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|2,0,1]=4 2449 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|2,0,1]=4 2450 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|1,0,0]=2 2451 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|1,0,0]=2 2452 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|1,0,0]=2 2453 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|1,0,0]=2 2454 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,0,0,0,0|2,0,0]=3 2455 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,0,0,0,0|2,0,0]=3 2456 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,0,0,0,0|2,0,0]=3 2459 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,0,0,0,0|2,0,0]=3 2460 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,0,0,0,0|2,0,0]=3 2461 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [0,1,0,0,0,0|2,0,1]=4 2462 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,0,0,0,0|2,0,0]=3 2463 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,0,0,0,0|2,0,0]=3 2464 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|2,0,0]=3 2465 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,0,0,0,0|2,0,0]=3 2466 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,0,0,0,0|2,0,0]=3 2467 B9R0.8 COC(=O)C(C)SCC#N 62a_100000211248_100011215382 [0,1,0,0,0,0|2,0,1]=4 2468 B9R0.8 COC(=O)C(C)SCC#N 62a_100011215382_100000211248 [0,1,0,0,0,0|2,0,1]=4 2469 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,1,0,0,0,0|2,0,1]=4 2470 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,0,0,0,0|2,0,0]=3 2472 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,0,0,0,0|2,0,0]=3 2473 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,0,0,0,0|2,0,0]=3 2474 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,0,0,0,0|2,0,0]=3 2475 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,0,0,0,0|2,0,0]=3 2476 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,0,0,0,0|2,0,0]=3 2477 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,1,0,0,0,0|2,0,0]=3 2478 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,0,0,0,0|2,0,0]=3 2479 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|1,0,0]=2 2480 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,0,0,0,0|2,0,0]=3 2481 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,0,0,0,0|2,0,0]=3 2482 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|3,0,0]=4 2483 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [0,1,0,0,0,0|2,0,0]=3 2484 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [0,1,0,0,0,0|2,0,0]=3 2485 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [0,1,0,0,0,0|3,0,0]=4 2486 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [0,1,0,0,0,0|3,0,0]=4 2487 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [0,1,0,0,0,0|3,0,0]=4 2488 B9R0.20 CCCNCC(C)(C)OC 2230a_100000763424_100000210303 [0,1,0,0,0,0|2,0,1]=4 2489 B9R0.20 CCCOCC(C)(C)OC 34a_100000210258_100000701081 [0,1,0,0,0,0|2,0,1]=4 2490 B9R0.20 CCCSCC(C)(C)OC 62a_100000210303_100000701081 [0,1,0,0,0,0|2,0,1]=4 2491 B9R0.20 CCCSCC(C)(C)OC 62a_100000701081_100000210303 [0,1,0,0,0,0|2,0,1]=4 2492 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [0,1,0,0,0,0|3,0,0]=4 2493 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [0,1,0,0,0,0|3,0,0]=4 2494 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [0,1,0,0,0,0|3,0,0]=4 2495 B9R0.20 CCNCCS(=O)(=O)NC 2230a_100000710037_100000210202 [0,1,0,0,0,0|3,0,0]=4 2496 B9R0.20 CCNCCS(=O)(=O)NC 34a_100000710037_100000210202 [0,1,0,0,0,0|3,0,0]=4 2497 B9R0.20 CCOCCC(C)(C)OC 7a_100000699976_100000210202 [0,1,0,0,0,0|2,0,1]=4 2498 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [0,1,0,0,0,0|3,0,0]=4 2499 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [0,1,0,0,0,0|3,0,0]=4 2500 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [0,1,0,0,0,0|3,0,0]=4 2501 B9R0.20 CCOCCS(=O)(=O)NC 270084a_100102657272_100000747040 [0,1,0,0,0,0|3,0,0]=4 2502 B9R0.20 CCOCCS(=O)(=O)NC 274078a_100102657272_100000747040 [0,1,0,0,0,0|3,0,0]=4 2503 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [0,1,0,0,0,0|3,0,0]=4 2504 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [0,1,0,0,0,0|3,0,0]=4 2505 B9R0.20 CNS(=O)(=O)CCCCCl 270084a_100102657272_100000021705 [0,1,0,0,0,0|3,0,0]=4 2506 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [0,1,0,0,0,0|1,0,2]=4 2507 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [0,1,0,0,0,0|1,0,2]=4 2508 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [0,1,0,0,0,0|1,0,2]=4 2509 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [0,1,0,0,0,0|1,0,2]=4 2510 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [0,1,0,0,0,0|1,0,2]=4 2511 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,1,0,0,0,0|2,0,1]=4 2513 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,1,0,0,0,0|2,0,1]=4 2514 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,1,0,0,0,0|1,0,2]=4 2515 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,1,0,0,0,0|1,0,2]=4 2516 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,0,0,0,0|1,0,1]=3 2517 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|0,0,1]=2 2518 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|1,0,0]=2 2519 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,0|2,0,0]=3 2520 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|2,0,0]=3 2521 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,1,0,0,0,0|2,0,1]=4 2522 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|1,0,1]=3 2523 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,0|2,0,0]=3 2524 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,0|2,0,0]=3 2525 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [0,1,0,0,0,0|3,0,0]=4 2526 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,1,0,0,0,0|3,0,0]=4 2527 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,0|2,0,0]=3 2528 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,0|2,0,0]=3 2529 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [0,1,0,0,0,0|3,0,0]=4 2531 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [0,1,0,0,0,0|3,0,0]=4 2532 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,1,0,0,0,0|3,0,0]=4 2533 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,1,0,0,0,0|3,0,0]=4 2534 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,1,0,0,0,0|2,0,1]=4 2535 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,1,0,0,0,0|2,0,1]=4 2536 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,1,0,0,0,0|2,0,1]=4 2537 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,1,0,0,0,0|2,0,1]=4 2538 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,1,0,0,0,0|2,0,1]=4 2539 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,1,0,0,0,0|2,0,1]=4 2540 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,1,0,0,0,0|2,0,1]=4 2541 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|1,0,1]=3 2542 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,0|2,0,0]=3 2543 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,0|2,0,0]=3 2544 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,0|2,0,0]=3 2545 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,0|2,0,0]=3 2546 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,1,0,0,0,0|3,0,0]=4 2547 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,1,0,0,0,0|3,0,0]=4 2548 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,0|2,0,0]=3 2549 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,0|2,0,0]=3 2550 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,0|2,0,0]=3 2551 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,1,0,0,0,0|3,0,0]=4 2552 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,1,0,0,0,0|3,0,0]=4 2553 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,1,0,0,0,0|3,0,0]=4 2554 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,1,0,0,0,0|3,0,0]=4 2555 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,1,0,0,0,0|3,0,0]=4 2556 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,1,0,0,0,0|3,0,0]=4 2557 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,0,0,0,0|3,0,0]=4 2558 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,0,0,0,0|3,0,0]=4 2559 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [0,1,0,0,0,0|3,0,0]=4 2560 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,0|2,0,0]=3 2561 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|1,0,0]=2 2562 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|1,0,0]=2 2563 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|1,0,0]=2 2564 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|1,0,0]=2 2565 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,0,0,0,0|1,0,1]=3 2566 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,0,0,0,0|1,0,1]=3 2567 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,1,0,0,0,0|3,0,0]=4 2568 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,1,0,0,0,0|3,0,0]=4 2569 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,0|2,0,0]=3 2570 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,0|2,0,0]=3 2571 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,0|2,0,0]=3 2572 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,0|2,0,0]=3 2573 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,0|2,0,0]=3 2574 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,0|2,0,0]=3 2575 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,1,0,0,0,0|2,0,1]=4 2576 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,1,0,0,0,0|2,0,1]=4 2577 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,0|2,0,0]=3 2578 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,0|2,0,0]=3 2579 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,0|1,0,0]=2 2580 B9R0.24 CCC(C)NC[C@@H](C)OC 2230a_100020591295_100000758301 [0,1,0,0,0,0|2,0,1]=4 2581 B9R0.24 CCC(C)NNC(=O)NC 273464a_100102657272_100000718999 [0,1,0,0,0,0|3,0,0]=4 2582 B9R0.24 CCC(C)NNC(=O)NC 512a_100000718999_100102657272 [0,1,0,0,0,0|3,0,0]=4 2583 B9R0.24 CCC(C)NNC(=O)NC 512a_106832991638_100000718999 [0,1,0,0,0,0|3,0,0]=4 2584 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,0|2,0,0]=3 2585 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,0|2,0,0]=3 2586 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,0|1,0,0]=2 2587 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [0,1,0,0,0,0|2,0,1]=4 2588 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,0|2,0,0]=3 2589 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,0|2,0,0]=3 2590 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,0|1,0,0]=2 2591 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,0|1,0,0]=2 2592 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|1,0,0]=2 2593 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|1,0,0]=2 2594 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,0,0,0,0|3,0,0]=4 2595 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,0,0,0,0|3,0,0]=4 2596 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,0|2,0,0]=3 2597 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,0|2,0,0]=3 2598 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,0|2,0,0]=3 2599 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,0|2,0,0]=3 2600 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,1,0,0,0,0|2,0,1]=4 2601 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,1,0,0,0,0|2,0,1]=4 2602 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,1,0,0,0,0|3,0,0]=4 2603 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,1,0,0,0,0|2,0,0]=3 2604 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,1,0,0,0,0|2,0,0]=3 2605 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,1,0,0,0,0|2,0,0]=3 2606 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,1,0,0,0,0|2,0,0]=3 2607 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,1,0,0,0,0|2,0,0]=3 2608 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|1,0,0]=2 2609 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|1,0,0]=2 2610 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|1,0,0]=2 2611 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|1,0,0]=2 2612 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|1,0,0]=2 2613 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|1,0,0]=2 2614 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|1,0,0]=2 2615 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,1,0,0,0,0|3,0,0]=4 2616 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,1,0,0,0,0|2,0,0]=3 2617 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 2618 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 2619 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,1,0,0,0,0|2,0,0]=3 2620 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,1,0,0,0,0|2,0,1]=4 2621 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,1,0,0,0,0|2,0,1]=4 2622 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,1,0,0,0,0|2,0,1]=4 2623 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,1,0,0,0,0|2,0,1]=4 2624 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 2625 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 2626 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,1,0,0,0,0|2,0,1]=4 2627 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,0,0,0,0|1,0,1]=3 2628 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,0,0,0,0|1,0,1]=3 2629 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,0,0,0,0|1,0,1]=3 2630 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,0,0,0,0|1,0,1]=3 2631 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [0,1,0,0,0,0|3,0,0]=4 2632 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,1,0,0,0,0|2,0,1]=4 2633 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 2634 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 2635 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 2636 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,1,0,0,0,0|3,0,0]=4 2637 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,1,0,0,0,0|3,0,0]=4 2638 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [0,1,0,0,0,0|3,0,0]=4 2639 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [0,1,0,0,0,0|3,0,0]=4 2640 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 2641 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,1,0,0,0,0|3,0,0]=4 2642 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,1,0,0,0,0|3,0,0]=4 2643 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [0,1,0,0,0,0|3,0,0]=4 2644 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [0,1,0,0,0,0|3,0,0]=4 2645 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,1,0,0,0,0|3,0,0]=4 2646 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,1,0,0,0,0|3,0,0]=4 2647 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,1,0,0,0,0|3,0,0]=4 2648 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,1,0,0,0,0|3,0,0]=4 2649 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,1,0,0,0,0|3,0,0]=4 2650 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,1,0,0,0,0|3,0,0]=4 2651 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,1,0,0,0,0|3,0,0]=4 2652 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [0,1,0,0,0,0|3,0,0]=4 2653 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [0,1,0,0,0,0|3,0,0]=4 2654 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [0,1,0,0,0,0|3,0,0]=4 2655 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [0,1,0,0,0,0|3,0,0]=4 2656 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [0,1,0,0,0,0|3,0,0]=4 2657 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [0,1,0,0,0,0|3,0,0]=4 2658 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,1,0,0,0,0|3,0,0]=4 2659 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,1,0,0,0,0|3,0,0]=4 2660 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,1,0,0,0,0|3,0,0]=4 2661 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,1,0,0,0,0|3,0,0]=4 2662 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,1,0,0,0,0|3,0,0]=4 2663 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,1,0,0,0,0|3,0,0]=4 2664 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,1,0,0,0,0|3,0,0]=4 2665 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,1,0,0,0,0|3,0,0]=4 2666 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,0,0,0,0|1,0,1]=3 2667 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,0|2,0,0]=3 2668 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,1,0,0,0,0|2,0,1]=4 2669 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [0,1,0,0,0,0|2,0,1]=4 2670 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,0|2,0,0]=3 2671 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [0,1,0,0,0,0|2,0,1]=4 2672 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,0|2,0,0]=3 2673 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,0|2,0,0]=3 2674 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,0]=3 2675 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [0,1,0,0,0,0|2,0,1]=4 2676 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [0,1,0,0,0,0|2,0,1]=4 2677 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,0|2,0,0]=3 2678 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,0|2,0,0]=3 2679 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,0|2,0,0]=3 2680 B9R0.24 COC(=O)CSC(F)C#N 62a_100000747449_200000117898 [0,1,0,0,0,0|2,0,1]=4 2681 B9R0.24 COC(=O)CSC(F)C#N 62a_200000117898_100000747449 [0,1,0,0,0,0|2,0,1]=4 2682 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,0|2,0,0]=3 2683 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,0|2,0,0]=3 2684 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,1,0,0,0,0|2,0,1]=4 2685 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,1,0,0,0,0|1,0,2]=4 2686 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,1,0,0,0,0|1,0,1]=3 2687 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,1,0,0,0,0|0,0,3]=4 2688 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,1,0,0,0,0|0,0,3]=4 2689 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000198492_100000038162 [0,1,0,0,0,0|1,0,2]=4 2690 B9R0.34 C#CCN(C)CC(=O)OC 2230a_100000225692_100000747449 [0,1,0,0,0,0|1,0,2]=4 2691 B9R0.34 C#CCN(C)CC(=O)OC 34a_100000225692_100000747449 [0,1,0,0,0,0|1,0,2]=4 2692 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|1,0,1]=3 2693 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,1,0,0,0,0|2,0,1]=4 2694 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,0|1,0,1]=3 2695 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,0|1,0,1]=3 2696 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,0|1,0,1]=3 2697 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,0|1,0,2]=4 2698 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,0,0,0,0|1,0,1]=3 2699 B9R0.34 C=CC(=O)NC(C)CCC 1626a_100000741246_100000185746 [0,1,0,0,0,0|2,0,1]=4 2700 B9R0.34 C=CC(=O)NC(C)CCC 240690a_100000741246_200121576911 [0,1,0,0,0,0|2,0,1]=4 2701 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,1,0,0,0,0|0,0,3]=4 2702 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,1,0,0,0,0|0,0,3]=4 2703 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,1,0,0,0,0|1,0,2]=4 2704 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,1,0,0,0,0|1,0,2]=4 2705 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,1,0,0,0,0|1,0,2]=4 2706 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,1,0,0,0,0|0,0,3]=4 2707 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,0|0,0,3]=4 2708 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,0|2,0,1]=4 2709 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|2,0,1]=4 2710 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|2,0,1]=4 2711 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,1,0,0,0,0|3,0,0]=4 2712 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,1,0,0,0,0|3,0,0]=4 2713 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,1,0,0,0,0|3,0,0]=4 2714 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,1,0,0,0,0|3,0,0]=4 2715 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,1,0,0,0,0|3,0,0]=4 2716 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,1,0,0,0,0|3,0,0]=4 2717 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,1,0,0,0,0|3,0,0]=4 2718 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,0|1,0,2]=4 2719 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,0|1,0,2]=4 2720 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,0|1,0,2]=4 2721 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,0|1,0,2]=4 2722 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|1,0,1]=3 2723 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|1,0,1]=3 2724 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|2,0,1]=4 2725 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|1,0,1]=3 2726 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|0,0,1]=2 2727 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|0,0,1]=2 2728 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,0|1,0,0]=2 2729 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,0|1,0,0]=2 2730 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,0|2,0,0]=3 2731 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,0|2,0,0]=3 2732 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,0|1,0,0]=2 2733 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,0|1,0,0]=2 2734 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,0|1,0,0]=2 2735 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,0|1,0,0]=2 2736 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,1,0,0,0,0|3,0,0]=4 2737 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,1,0,0,0,0|3,0,0]=4 2738 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,0|2,0,0]=3 2739 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,0|2,0,0]=3 2740 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,0|2,0,0]=3 2741 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,0|2,0,0]=3 2742 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,1,0,0,0,0|3,0,0]=4 2743 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,1,0,0,0,0|3,0,0]=4 2744 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,0|2,0,0]=3 2745 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,0|2,0,0]=3 2746 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,0|2,0,0]=3 2747 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,0|2,0,0]=3 2748 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,0|2,0,0]=3 2749 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [0,1,0,0,0,0|2,0,1]=4 2750 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [0,1,0,0,0,0|2,0,1]=4 2751 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,0|2,0,0]=3 2752 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,0|2,0,0]=3 2753 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,0|2,0,0]=3 2754 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,0|2,0,0]=3 2755 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,0|1,0,0]=2 2756 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,0|1,0,0]=2 2757 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,0|1,0,0]=2 2758 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|2,0,0]=3 2759 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,1,0,0,0,0|3,0,0]=4 2760 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,0|2,0,0]=3 2761 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 2762 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 2763 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 2764 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|2,0,1]=4 2765 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|1,0,1]=3 2766 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,0|1,0,0]=2 2767 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|2,0,1]=4 2768 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|2,0,1]=4 2769 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|2,0,1]=4 2770 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,0|1,0,0]=2 2771 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,0,0,0,0|2,0,0]=3 2772 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,1,0,0,0,0|3,0,0]=4 2773 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,1,0,0,0,0|2,0,0]=3 2774 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,1,0,0,0,0|2,0,0]=3 2775 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,1,0,0,0,0|2,0,0]=3 2776 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,1,0,0,0,0|2,0,0]=3 2777 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,0|1,0,0]=2 2778 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,0|1,0,0]=2 2779 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,1,0,0,0,0|2,0,1]=4 2780 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,0|2,0,1]=4 2781 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,0|2,0,1]=4 2782 B9R0.34 CNC(=O)CN(C)CCF 2230a_100000189611_100011217306 [0,1,0,0,0,0|3,0,0]=4 2783 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,1,0,0,0,0|3,0,0]=4 2784 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,1,0,0,0,0|3,0,0]=4 2785 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,1,0,0,0,0|3,0,0]=4 2786 B9R0.34 CNC(=O)CN(C)COC 2230a_100000189611_100000766300 [0,1,0,0,0,0|3,0,0]=4 2787 B9R0.34 CNC(=O)CN(C)CSC 2230a_100000189611_100011218213 [0,1,0,0,0,0|3,0,0]=4 2788 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,1,0,0,0,0|3,0,0]=4 2789 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,1,0,0,0,0|3,0,0]=4 2790 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,1,0,0,0,0|3,0,0]=4 2791 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,1,0,0,0,0|3,0,0]=4 2792 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100000764878_106832991635 [0,1,0,0,0,0|3,0,0]=4 2793 B9R0.34 CNC(=O)N[C@H](C)COC 2708a_100102657272_100000764878 [0,1,0,0,0,0|3,0,0]=4 2794 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100000764878_100102657272 [0,1,0,0,0,0|3,0,0]=4 2795 B9R0.34 CNC(=O)N[C@H](C)COC 273464a_100102657272_100000764878 [0,1,0,0,0,0|3,0,0]=4 2796 B9R0.34 CNC(=O)N[C@H](C)COC 512a_100000764878_100102657272 [0,1,0,0,0,0|3,0,0]=4 2797 B9R0.34 CNC(=O)N[C@H](C)COC 512a_106832991638_100000764878 [0,1,0,0,0,0|3,0,0]=4 2798 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,1,0,0,0,0|1,0,0]=2 2799 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,1,0,0,0,0|1,0,0]=2 2800 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,1,0,0,0,0|2,0,1]=4 2801 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,1,0,0,0,0|1,0,2]=4 2802 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,1,0,0,0,0|1,0,2]=4 2803 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,0|1,0,1]=3 2804 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,0|1,0,1]=3 2805 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,0|1,0,1]=3 2806 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,0|1,0,1]=3 2807 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,0|1,0,1]=3 2808 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,0|1,0,1]=3 2809 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,0|1,0,1]=3 2810 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,0|1,0,1]=3 2811 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,1,0,0,0,0|2,0,0]=3 2812 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,1,0,0,0,0|2,0,0]=3 2813 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000198492_100011215382 [0,1,0,0,0,0|2,0,1]=4 2814 B9R0.34 COC(=O)CN(C)CC#N 2230a_100000748184_100000747449 [0,1,0,0,0,0|2,0,1]=4 2815 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [0,1,0,0,0,0|2,0,1]=4 2816 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,1,0,0,0,0|2,0,0]=3 2817 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,1,0,0,0,0|2,0,0]=3 2818 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,1,0,0,0,0|2,0,0]=3 2819 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,1,0,0,0,0|2,0,0]=3 2820 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [0,1,0,0,0,0|2,0,0]=3 2821 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,1,0,0,0,0|1,0,0]=2 2822 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,1,0,0,0,0|1,0,0]=2 2823 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,1,0,0,0,0|1,0,0]=2 2824 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,1,0,0,0,0|1,0,0]=2 2825 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,1,0,0,0,0|2,0,1]=4 2826 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,1,0,0,0,0|2,0,1]=4 2827 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,0|1,0,1]=3 2828 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [0,1,0,0,0,0|2,0,0]=3 2829 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,1,0,0,0,0|1,0,0]=2 2830 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,1,0,0,0,0|1,0,2]=4 2831 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,1,0,0,0,0|1,0,2]=4 2832 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,0,0,0,0|1,0,2]=4 2833 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|1,0,1]=3 2834 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,0,0,0,0|1,0,1]=3 2835 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|1,0,1]=3 2836 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|1,0,1]=3 2837 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,0,0,0,0|1,0,1]=3 2838 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,0,0,0,0|1,0,1]=3 2839 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,1,0,0,0,0|2,0,1]=4 2840 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|1,0,1]=3 2841 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,1,0,0,0,0|1,0,2]=4 2842 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,1,0,0,0,0|1,0,2]=4 2843 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|1,0,1]=3 2844 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|1,0,1]=3 2845 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|2,0,1]=4 2846 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|2,0,1]=4 2847 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|1,0,1]=3 2848 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|1,0,1]=3 2849 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|1,0,1]=3 2850 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|1,0,1]=3 2851 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 2852 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 2853 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 2854 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 2855 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,1,0,0,0,0|1,0,2]=4 2856 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 2857 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 2858 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 2859 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 2860 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,1,0,0,0,0|1,0,2]=4 2861 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,1,0,0,0,0|1,0,2]=4 2862 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,1,0,0,0,0|1,0,2]=4 2863 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,1,0,0,0,0|0,0,2]=3 2864 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,1,0,0,0,0|1,0,2]=4 2865 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,1,0,0,0,0|1,0,2]=4 2866 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,1,0,0,0,0|1,0,2]=4 2867 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|0,0,2]=3 2868 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,1,0,0,0,0|1,0,2]=4 2869 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,1,0,0,0,0|1,0,2]=4 2870 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,1,0,0,0,0|1,0,2]=4 2871 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,1,0,0,0,0|1,0,2]=4 2872 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,1,0,0,0,0|0,0,2]=3 2873 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,1,0,0,0,0|0,0,2]=3 2874 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,1,0,0,0,0|1,0,2]=4 2875 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,1,0,0,0,0|1,0,2]=4 2876 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,1,0,0,0,0|1,0,2]=4 2877 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,1,0,0,0,0|0,0,2]=3 2878 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,1,0,0,0,0|1,0,2]=4 2879 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,1,0,0,0,0|1,0,2]=4 2880 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,1,0,0,0,0|1,0,2]=4 2881 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 2882 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 2883 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,1,0,0,0,0|1,0,2]=4 2884 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,1,0,0,0,0|1,0,2]=4 2885 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,1,0,0,0,0|1,0,2]=4 2886 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,1,0,0,0,0|0,0,2]=3 2887 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,1,0,0,0,0|1,0,2]=4 2888 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,1,0,0,0,0|0,0,2]=3 2889 B9R0.46 C#CCSCOC(=O)OC 62a_100000038162_100000139417 [0,1,0,0,0,0|1,0,2]=4 2890 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,1,0,0,0,0|1,0,2]=4 2891 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,1,0,0,0,0|1,0,2]=4 2892 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,1,0,0,0,0|1,0,2]=4 2893 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,1,0,0,0,0|0,0,2]=3 2894 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,1,0,0,0,0|1,0,2]=4 2895 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,1,0,0,0,0|1,0,2]=4 2896 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,1,0,0,0,0|1,0,2]=4 2897 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,1,0,0,0,0|1,0,2]=4 2898 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,1,0,0,0,0|0,0,2]=3 2899 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,1,0,0,0,0|0,0,2]=3 2900 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,1,0,0,0,0|3,0,0]=4 2901 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,1,0,0,0,0|3,0,0]=4 2902 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,1,0,0,0,0|3,0,0]=4 2903 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,1,0,0,0,0|1,0,2]=4 2904 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,1,0,0,0,0|1,0,2]=4 2905 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|1,0,1]=3 2906 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|1,0,1]=3 2907 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|1,0,1]=3 2908 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|1,0,1]=3 2909 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|1,0,1]=3 2910 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|1,0,1]=3 2911 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,0,0,0,0|2,0,1]=4 2912 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|1,0,1]=3 2913 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|1,0,1]=3 2914 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|1,0,1]=3 2915 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,1,0,0,0,0|2,0,1]=4 2916 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|2,0,1]=4 2917 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|2,0,1]=4 2918 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|2,0,1]=4 2919 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|2,0,1]=4 2920 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,1,0,0,0,0|2,0,1]=4 2921 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,0,0,0,0|2,0,1]=4 2922 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,0,0,0,0|2,0,1]=4 2923 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,0,0,0,0|2,0,1]=4 2924 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,0,0,0,0|2,0,1]=4 2925 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,0,0,0,0|2,0,1]=4 2926 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,0,0,0,0|2,0,1]=4 2927 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,0,0,0,0|2,0,1]=4 2928 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,0,0,0,0|2,0,1]=4 2929 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|2,0,1]=4 2930 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|2,0,1]=4 2931 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|1,0,2]=4 2932 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|1,0,1]=3 2933 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|1,0,1]=3 2934 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|2,0,1]=4 2935 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|2,0,1]=4 2936 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|1,0,1]=3 2937 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|1,0,1]=3 2938 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|1,0,1]=3 2939 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|1,0,1]=3 2940 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 2941 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 2942 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 2943 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,0,0,0,0|1,0,2]=4 2944 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,1,0,0,0,0|1,0,2]=4 2945 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,1,0,0,0,0|1,0,2]=4 2946 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,1,0,0,0,0|1,0,2]=4 2947 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,1,0,0,0,0|1,0,2]=4 2948 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,1,0,0,0,0|1,0,2]=4 2949 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,1,0,0,0,0|1,0,2]=4 2950 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,1,0,0,0,0|1,0,2]=4 2951 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,1,0,0,0,0|1,0,2]=4 2952 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|0,0,2]=3 2953 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,1,0,0,0,0|1,0,2]=4 2954 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,1,0,0,0,0|1,0,2]=4 2955 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,1,0,0,0,0|1,0,2]=4 2956 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|0,0,2]=3 2957 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,1,0,0,0,0|1,0,2]=4 2958 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,1,0,0,0,0|1,0,2]=4 2959 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,1,0,0,0,0|1,0,2]=4 2960 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,1,0,0,0,0|1,0,2]=4 2961 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|0,0,2]=3 2962 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|0,0,2]=3 2963 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,1,0,0,0,0|1,0,2]=4 2964 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,1,0,0,0,0|1,0,2]=4 2965 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,1,0,0,0,0|1,0,2]=4 2966 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,0,0,0,0|0,0,2]=3 2967 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,1,0,0,0,0|1,0,2]=4 2968 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,1,0,0,0,0|1,0,2]=4 2969 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 2970 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 2971 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,1,0,0,0,0|1,0,2]=4 2972 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,1,0,0,0,0|1,0,2]=4 2973 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,1,0,0,0,0|1,0,2]=4 2974 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,0,0,0,0|0,0,2]=3 2975 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,1,0,0,0,0|1,0,2]=4 2976 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,1,0,0,0,0|1,0,2]=4 2977 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,0,0,0,0|0,0,2]=3 2978 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,0,0,0,0|0,0,2]=3 2979 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [0,1,0,0,0,0|1,0,2]=4 2980 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,1,0,0,0,0|1,0,2]=4 2981 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,1,0,0,0,0|1,0,2]=4 2982 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,1,0,0,0,0|1,0,2]=4 2983 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,1,0,0,0,0|0,0,2]=3 2984 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,1,0,0,0,0|0,0,2]=3 2985 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,1,0,0,0,0|1,0,2]=4 2986 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,1,0,0,0,0|1,0,2]=4 2987 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,1,0,0,0,0|1,0,2]=4 2988 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,1,0,0,0,0|0,0,2]=3 2989 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,1,0,0,0,0|1,0,2]=4 2990 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,1,0,0,0,0|1,0,2]=4 2991 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,1,0,0,0,0|1,0,2]=4 2992 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,1,0,0,0,0|1,0,2]=4 2993 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,1,0,0,0,0|0,0,2]=3 2994 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,1,0,0,0,0|0,0,2]=3 2995 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|1,0,1]=3 2996 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|2,0,1]=4 2997 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,1,0,0,0,0|1,0,2]=4 2998 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,1,0,0,0,0|1,0,2]=4 2999 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,1,0,0,0,0|1,0,2]=4 3000 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,1,0,0,0,0|1,0,2]=4 3001 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,1,0,0,0,0|1,0,2]=4 3002 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,1,0,0,0,0|1,0,2]=4 3003 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,1,0,0,0,0|1,0,2]=4 3004 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,1,0,0,0,0|0,0,2]=3 3005 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,1,0,0,0,0|0,0,2]=3 3006 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|1,0,1]=3 3007 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|1,0,0]=2 3008 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|1,0,0]=2 3009 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|1,0,0]=2 3010 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|1,0,0]=2 3011 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,1,0,0,0,0|3,0,0]=4 3012 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,1,0,0,0,0|2,0,1]=4 3013 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|2,0,0]=3 3014 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|2,0,0]=3 3015 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|2,0,0]=3 3016 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|2,0,0]=3 3017 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|2,0,0]=3 3018 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|2,0,0]=3 3019 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|2,0,0]=3 3020 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|2,0,0]=3 3021 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,1,0,0,0,0|2,0,1]=4 3022 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,1,0,0,0,0|2,0,1]=4 3023 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|2,0,0]=3 3024 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|2,0,0]=3 3025 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|2,0,0]=3 3026 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|2,0,0]=3 3027 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|2,0,0]=3 3028 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|2,0,0]=3 3029 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|2,0,0]=3 3030 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|2,0,0]=3 3031 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|2,0,0]=3 3032 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|2,0,0]=3 3033 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|2,0,0]=3 3034 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|2,0,0]=3 3035 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|2,0,0]=3 3036 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 3037 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 3038 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 3039 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|2,0,0]=3 3040 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,1,0,0,0,0|3,0,0]=4 3041 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,1,0,0,0,0|3,0,0]=4 3042 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,1,0,0,0,0|3,0,0]=4 3043 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,1,0,0,0,0|3,0,0]=4 3044 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,0,0,0,0|3,0,0]=4 3045 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|1,0,1]=3 3046 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,0,0,0,0|2,0,1]=4 3047 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|1,0,1]=3 3048 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|1,0,1]=3 3049 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|1,0,1]=3 3050 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|1,0,1]=3 3051 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,1,0,0,0,0|2,0,1]=4 3052 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|1,0,1]=3 3053 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|2,0,1]=4 3054 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|1,0,1]=3 3055 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|1,0,1]=3 3056 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|1,0,1]=3 3057 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|1,0,0]=2 3058 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|1,0,0]=2 3059 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|2,0,0]=3 3060 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|2,0,0]=3 3061 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|1,0,0]=2 3062 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 3063 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 3064 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 3065 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 3066 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 3067 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|2,0,1]=4 3068 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 3069 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|2,0,1]=4 3070 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 3071 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 3072 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 3073 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|1,0,1]=3 3074 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|1,0,1]=3 3075 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|1,0,1]=3 3076 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|1,0,1]=3 3077 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|1,0,1]=3 3078 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|1,1,1]=4 3079 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|1,1,1]=4 3080 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|1,1,1]=4 3081 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|1,1,1]=4 3082 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|3,0,0]=4 3083 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|3,0,0]=4 3084 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|3,0,0]=4 3085 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|3,0,0]=4 3086 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 3087 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 3088 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 3089 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|1,0,0]=2 3090 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|2,0,0]=3 3091 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|2,0,0]=3 3092 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,0]=2 3093 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,0]=2 3094 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,0]=2 3095 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,0]=2 3096 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,0]=2 3097 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,0]=2 3098 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|2,0,1]=4 3099 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|2,0,1]=4 3100 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|2,0,1]=4 3101 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|2,0,1]=4 3102 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|2,0,1]=4 3103 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|2,0,1]=4 3104 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|2,0,1]=4 3105 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|1,0,1]=3 3106 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|1,0,1]=3 3107 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|1,0,0]=2 3108 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|1,0,0]=2 3109 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|1,0,0]=2 3110 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|1,0,0]=2 3111 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|0,0,0]=1 3112 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|0,0,0]=1 3113 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,1,0,0,0,0|2,0,1]=4 3114 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,1,0,0,0,0|2,0,1]=4 3115 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,1,0,0,0,0|2,0,1]=4 3116 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,1,0,0,0,0|2,0,1]=4 3117 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|1,0,2]=4 3118 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|1,0,2]=4 3119 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|1,0,2]=4 3120 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,1,0,0,0,0|2,0,1]=4 3121 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,1,0,0,0,0|2,0,1]=4 3122 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|1,0,1]=3 3123 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|2,0,0]=3 3124 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|3,0,0]=4 3125 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|2,0,0]=3 3126 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|2,0,0]=3 3127 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|2,0,0]=3 3128 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|1,0,0]=2 3129 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|1,0,0]=2 3130 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|1,0,0]=2 3131 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|1,0,0]=2 3132 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|2,0,0]=3 3133 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|2,0,0]=3 3134 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|1,0,0]=2 3135 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 3136 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 3137 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|1,0,0]=2 3138 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|1,0,0]=2 3139 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|1,0,0]=2 3140 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|1,0,0]=2 3141 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|0,0,0]=1 3142 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|0,0,0]=1 3143 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,1,0,0,0,0|2,0,1]=4 3144 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,1,0,0,0,0|2,0,1]=4 3145 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|1,0,1]=3 3146 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|1,0,1]=3 3147 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|1,0,1]=3 3148 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|1,0,1]=3 3149 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|1,0,1]=3 3150 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|1,0,2]=4 3151 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|1,0,2]=4 3152 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 3153 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,1,0,0,0,0|3,0,0]=4 3154 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,1,0,0,0,0|2,0,1]=4 3155 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,1,0,0,0,0|2,0,1]=4 3156 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,1,0,0,0,0|2,0,1]=4 3157 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|1,0,0]=2 3158 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|1,0,0]=2 3159 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|1,0,0]=2 3160 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|2,0,0]=3 3161 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|1,0,0]=2 3162 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 3163 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 3164 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|1,0,0]=2 3165 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|1,0,0]=2 3166 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|1,0,0]=2 3167 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|0,0,0]=1 3168 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|0,0,0]=1 3169 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,1,0,0,0,0|2,0,1]=4 3170 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,1,0,0,0,0|2,0,1]=4 3171 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|1,0,2]=4 3172 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|1,0,2]=4 3173 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,1,0,0,0,0|2,0,1]=4 3174 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,1,0,0,0,0|2,0,1]=4 3175 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|1,0,0]=2 3176 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|1,0,0]=2 3177 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|2,0,1]=4 3178 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,0,0,0,0|1,0,1]=3 3179 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|3,0,0]=4 3180 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|1,0,0]=2 3181 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|2,0,0]=3 3182 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|1,0,0]=2 3183 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|1,0,0]=2 3184 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|0,0,0]=1 3185 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|2,0,1]=4 3186 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|1,0,1]=3 3187 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 3188 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,1,0,0,0,0|3,0,0]=4 3189 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|1,0,0]=2 3190 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|1,0,0]=2 3191 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|0,0,0]=1 3192 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|0,0,0]=1 3193 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|1,0,0]=2 3194 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,1,0,0,0,0|3,0,0]=4 3195 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,1,0,0,0,0|3,0,0]=4 3196 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|3,0,0]=4 3197 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|3,0,0]=4 3198 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|3,0,0]=4 3199 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|3,0,0]=4 3200 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 3201 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,1,0,0,0,0|3,0,0]=4 3202 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,0,0,0,0|0,0,2]=3 3203 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|1,0,0]=2 3204 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|1,0,0]=2 3205 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|1,0,0]=2 3206 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|0,0,0]=1 3207 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,1,0,0,0,0|3,0,0]=4 3208 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|2,0,0]=3 3209 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|2,0,0]=3 3210 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,0,0,0,0|1,0,1]=3 3211 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,0,0,0,0|0,0,2]=3 3212 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|1,0,0]=2 3213 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|2,0,0]=3 3214 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|1,0,0]=2 3215 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,0,0,0,0|2,0,0]=3 3216 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|0,0,0]=1 3217 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|2,0,1]=4 3218 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 3219 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,1,0,0,0,0|3,0,0]=4 3220 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|2,0,0]=3 3221 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|2,0,0]=3 3222 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|2,0,0]=3 3223 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|2,0,0]=3 3224 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|2,0,0]=3 3225 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|2,0,0]=3 3226 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|3,0,0]=4 3227 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|3,0,0]=4 3228 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|2,0,0]=3 3229 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|2,0,0]=3 3230 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|2,0,0]=3 3231 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|2,0,0]=3 3232 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|2,0,0]=3 3233 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|2,0,0]=3 3234 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|1,0,0]=2 3235 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|2,0,0]=3 3236 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|2,0,0]=3 3237 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|1,0,0]=2 3238 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [0,1,0,0,0,0|2,0,1]=4 3239 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [0,1,0,0,0,0|2,0,1]=4 3240 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|2,0,0]=3 3241 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|2,0,0]=3 3242 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|2,0,0]=3 3243 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|2,0,0]=3 3244 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|1,0,0]=2 3245 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|1,0,0]=2 3246 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,0,0,0,0|0,0,2]=3 3247 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,0,0,0,0|0,0,2]=3 3248 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|1,0,0]=2 3249 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|1,0,0]=2 3250 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|0,0,0]=1 3251 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|0,0,0]=1 3252 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,1,0,0,0,0|3,0,0]=4 3253 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 3254 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 3255 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 3256 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|2,0,0]=3 3257 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 3258 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|3,0,0]=4 3259 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|2,0,0]=3 3260 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 3261 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 3262 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|2,0,0]=3 3263 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|2,0,0]=3 3264 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|2,0,0]=3 3265 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|2,0,0]=3 3266 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|2,0,0]=3 3267 B9R0.46 CCSCCSC(C)OC 62a_100000757381_100009879195 [0,1,0,0,0,0|2,0,1]=4 3268 B9R0.46 CCSCCSC(C)OC 62a_100009879195_100000757381 [0,1,0,0,0,0|2,0,1]=4 3269 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|1,0,0]=2 3270 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,1,0,0,0,0|3,0,0]=4 3271 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 3272 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,1,0,0,0,0|3,0,0]=4 3273 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,1,0,0,0,0|2,0,0]=3 3274 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,1,0,0,0,0|2,0,0]=3 3275 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,1,0,0,0,0|2,0,0]=3 3276 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,1,0,0,0,0|2,0,1]=4 3277 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,1,0,0,0,0|2,0,1]=4 3278 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,1,0,0,0,0|2,0,1]=4 3279 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,0,0,0,0|2,0,0]=3 3280 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,0,0,0,0|2,0,0]=3 3281 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,0,0,0,0|2,0,0]=3 3282 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|2,0,0]=3 3283 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|2,0,0]=3 3284 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|2,0,0]=3 3285 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|2,0,0]=3 3286 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,0,0,0,0|2,0,0]=3 3287 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 3288 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,0,0,0,0|2,0,0]=3 3289 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,1,0,0,0,0|2,0,1]=4 3290 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,1,0,0,0,0|2,0,0]=3 3291 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,1,0,0,0,0|2,0,0]=3 3292 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,1,0,0,0,0|2,0,0]=3 3293 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|2,0,0]=3 3294 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|2,0,0]=3 3295 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|2,0,0]=3 3296 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,1,0,0,0,0|2,0,0]=3 3297 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,1,0,0,0,0|2,0,1]=4 3298 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,1,0,0,0,0|2,0,1]=4 3299 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,1,0,0,0,0|2,0,1]=4 3300 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,1,0,0,0,0|2,0,1]=4 3301 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,1,0,0,0,0|2,0,0]=3 3302 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,1,0,0,0,0|2,0,0]=3 3303 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|2,0,0]=3 3304 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|2,0,0]=3 3305 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,1,0,0,0,0|2,0,0]=3 3306 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,1,0,0,0,0|2,0,0]=3 3307 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,1,0,0,0,0|2,0,0]=3 3308 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,1,0,0,0,0|2,0,0]=3 3309 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,1,0,0,0,0|2,0,1]=4 3310 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|2,0,0]=3 3311 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|2,0,0]=3 3312 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|2,0,0]=3 3313 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|2,0,0]=3 3314 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|2,0,0]=3 3315 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|2,0,0]=3 3316 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|2,0,0]=3 3317 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|2,0,0]=3 3318 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|2,0,0]=3 3319 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|2,0,0]=3 3320 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|2,0,0]=3 3321 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|2,0,0]=3 3322 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|2,0,0]=3 3323 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|2,0,0]=3 3324 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|2,0,0]=3 3325 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 3326 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 3327 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|2,0,0]=3 3328 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|2,0,0]=3 3329 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|2,0,0]=3 3330 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,1,0,0,0,0|3,0,0]=4 3331 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 3332 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|2,0,0]=3 3333 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|2,0,0]=3 3334 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,1,0,0,0,0|2,0,1]=4 3335 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,1,0,0,0,0|2,0,1]=4 3336 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|2,0,0]=3 3337 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|2,0,0]=3 3338 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|2,0,0]=3 3339 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|2,0,0]=3 3340 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|2,0,0]=3 3341 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|2,0,0]=3 3342 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|2,0,0]=3 3343 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|2,0,0]=3 3344 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,0]=3 3345 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,0]=3 3346 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,0]=3 3347 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,0]=3 3348 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,0]=3 3349 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,0]=3 3350 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|2,0,0]=3 3351 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|2,0,0]=3 3352 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|2,0,0]=3 3353 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|2,0,0]=3 3354 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|2,0,0]=3 3355 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|2,0,0]=3 3356 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|2,0,0]=3 3357 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|2,0,0]=3 3358 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|2,0,0]=3 3359 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|2,0,0]=3 3360 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|2,0,0]=3 3361 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,1,0,0,0,0|3,0,0]=4 3362 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,1,0,0,0,0|3,0,0]=4 3363 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,1,0,0,0,0|3,0,0]=4 3364 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,1,0,0,0,0|3,0,0]=4 3365 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|0,0,0]=1 3366 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|0,0,0]=1 3367 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|0,0,0]=1 3368 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|1,0,0]=2 3369 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|1,0,0]=2 3370 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|1,0,0]=2 3371 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [0,1,0,0,0,0|1,0,2]=4 3372 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [0,1,0,0,0,0|1,0,2]=4 3373 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,1,0,0,0,0|2,0,1]=4 3374 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|0,0,0]=1 3375 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|0,0,0]=1 3376 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|0,0,0]=1 3377 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|0,0,0]=1 3378 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|0,0,0]=1 3379 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|0,0,0]=1 3380 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|1,0,0]=2 3381 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|1,0,0]=2 3382 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|1,0,0]=2 3383 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|1,0,0]=2 3384 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|1,0,0]=2 3385 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|1,0,0]=2 3386 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|1,0,0]=2 3387 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,1,0,0,0,0|1,0,1]=3 3388 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,1,0,0,0,0|1,0,1]=3 3389 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|1,0,1]=3 3390 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|1,0,1]=3 3391 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|1,0,0]=2 3392 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|1,0,0]=2 3393 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|1,0,0]=2 3394 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|1,0,0]=2 3395 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|1,0,0]=2 3396 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|1,0,0]=2 3397 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|1,0,0]=2 3398 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|1,0,0]=2 3399 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|1,0,0]=2 3400 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|1,0,0]=2 3401 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|1,0,0]=2 3402 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|1,0,0]=2 3403 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|1,0,0]=2 3404 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|2,0,0]=3 3405 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|1,0,0]=2 3406 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|1,0,0]=2 3407 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|1,0,0]=2 3408 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|1,0,0]=2 3409 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|1,0,0]=2 3410 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|1,0,0]=2 3411 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,1,0,0,0,0|1,0,1]=3 3412 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,1,0,0,0,0|1,0,1]=3 3413 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|1,0,0]=2 3414 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|1,0,0]=2 3415 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|1,0,0]=2 3416 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|1,0,0]=2 3417 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|1,0,0]=2 3418 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|1,0,0]=2 3419 B9R0.46 COC(=O)CSCSC#N 62a_100000211825_100000747449 [0,1,0,0,0,0|2,0,1]=4 3420 B9R0.46 COC(=O)CSCSC#N 62a_100000747449_100000211825 [0,1,0,0,0,0|2,0,1]=4 3421 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,1,0,0,0,0|2,0,0]=3 3422 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|2,0,0]=3 3423 B9R0.46 COC(=O)OCSCC#N 62a_100011215382_100000139417 [0,1,0,0,0,0|2,0,1]=4 3424 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,1,0,0,0,0|2,0,1]=4 3425 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|2,0,0]=3 3426 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|2,0,0]=3 3427 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|2,0,0]=3 3428 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [0,1,0,0,0,0|2,0,1]=4 3429 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,1,0,0,0,0|2,0,1]=4 3430 B9R0.46 COC(C)COCCCF 34a_100000690652_100011934791 [0,1,0,0,0,0|2,0,1]=4 3431 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,1,0,0,0,0|2,0,1]=4 3432 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [0,1,0,0,0,0|2,0,1]=4 3433 B9R0.46 COC(C)SCCCCF 62a_100000729493_100009879195 [0,1,0,0,0,0|2,0,1]=4 3434 B9R0.46 COC(C)SCCCCF 62a_100009879195_100000729493 [0,1,0,0,0,0|2,0,1]=4 3435 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,1,0,0,0,0|2,0,1]=4 3436 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,1,0,0,0,0|2,0,1]=4 3437 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|2,0,0]=3 3438 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|0,0,0]=1 3439 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|0,0,0]=1 3440 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|0,0,0]=1 3441 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|3,0,0]=4 3442 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|3,0,0]=4 3443 B9R0.46 COCCCSC(C)OC 62a_100000709357_100009879195 [0,1,0,0,0,0|2,0,1]=4 3444 B9R0.46 COCCCSC(C)OC 62a_100009879195_100000709357 [0,1,0,0,0,0|2,0,1]=4 3445 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|1,0,0]=2 3446 B9R0.46 COCCNC[C@@H](C)OC 2230a_100020591295_100011201679 [0,1,0,0,0,0|2,0,1]=4 3447 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|3,0,0]=4 3448 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|1,0,0]=2 3449 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|1,0,0]=2 3450 B9R0.46 COCCOCC(C)OC 34a_100000690652_100011201679 [0,1,0,0,0,0|2,0,1]=4 3451 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|1,0,0]=2 3452 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|1,0,0]=2 3453 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|1,0,0]=2 3454 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|1,0,0]=2 3455 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|2,0,0]=3 3456 B9R0.46 CO[C@H](C)CNCCCF 2230a_100020591295_100011934791 [0,1,0,0,0,0|2,0,1]=4 3457 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,1,0,0,0,0|2,0,1]=4 3458 B9R0.46 CO[C@H](C)CNCCSC 2230a_100020591295_100000751147 [0,1,0,0,0,0|2,0,1]=4 3459 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|3,0,0]=4 3460 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|3,0,0]=4 3461 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|2,0,1]=4 3462 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,1,0,0,0,0|3,0,0]=4 3463 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|2,0,0]=3 3464 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,1,0,0,0,0|3,0,0]=4 3465 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|2,0,0]=3 3466 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|2,0,0]=3 3467 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|3,0,0]=4 3468 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|3,0,0]=4 3469 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|3,0,0]=4 3470 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,1,0,0,0,0|1,0,2]=4 3471 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,1,0,0,0,0|1,0,2]=4 3472 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,1,0,0,0,0|1,0,2]=4 3473 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,1,0,0,0,0|1,0,2]=4 3474 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 3475 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 3476 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 3477 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,1,0,0,0,0|1,0,2]=4 3478 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|1,0,2]=4 3479 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|1,0,2]=4 3480 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|2,0,1]=4 3481 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|2,0,1]=4 3482 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,1,0,0,0,0|1,0,2]=4 3483 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,1,0,0,0,0|1,0,2]=4 3484 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,1,0,0,0,0|2,0,1]=4 3485 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|1,0,0]=2 3486 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|2,0,0]=3 3487 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|2,0,0]=3 3488 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|2,0,0]=3 3489 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|2,0,0]=3 3490 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|2,0,0]=3 3491 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|2,0,0]=3 3492 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|2,0,0]=3 3493 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|3,0,0]=4 3494 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|3,0,0]=4 3495 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|3,0,0]=4 3496 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|3,0,0]=4 3497 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|3,0,0]=4 3498 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|3,0,0]=4 3499 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|3,0,0]=4 3500 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|3,0,0]=4 3501 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 3502 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|3,0,0]=4 3503 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 3504 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|3,0,0]=4 3505 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|3,0,0]=4 3506 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|3,0,0]=4 3507 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|3,0,0]=4 3508 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|3,0,0]=4 3509 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|2,0,1]=4 3510 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|2,0,1]=4 3511 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|2,0,1]=4 3512 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|2,0,1]=4 3513 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|1,0,2]=4 3514 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,1,0,0,0,0|1,0,2]=4 3515 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,1,0,0,0,0|1,0,2]=4 3516 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,1,0,0,0,0|1,0,2]=4 3517 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 3518 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 3519 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 3520 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,1,0,0,0,0|1,0,2]=4 3521 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|1,0,2]=4 3522 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|1,0,2]=4 3523 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|3,0,0]=4 3524 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|3,0,0]=4 3525 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|3,0,0]=4 3526 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|3,0,0]=4 3527 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|3,0,0]=4 3528 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|3,0,0]=4 3529 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|3,0,0]=4 3530 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|3,0,0]=4 3531 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,1,0,0,0,0|2,0,1]=4 3532 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,1,0,0,0,0|2,0,1]=4 3533 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|2,0,0]=3 3534 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|2,0,0]=3 3535 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|2,0,0]=3 3536 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,1,0,0,0,0|3,0,0]=4 3537 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,1,0,0,0,0|3,0,0]=4 3538 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,1,0,0,0,0|3,0,0]=4 3539 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,1,0,0,0,0|3,0,0]=4 3540 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,1,0,0,0,0|3,0,0]=4 3541 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,1,0,0,0,0|3,0,0]=4 3542 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,1,0,0,0,0|3,0,0]=4 3543 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,1,0,0,0,0|3,0,0]=4 3544 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,1,0,0,0,0|3,0,0]=4 3545 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,1,0,0,0,0|3,0,0]=4 3546 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,1,0,0,0,0|3,0,0]=4 3547 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,1,0,0,0,0|3,0,0]=4 3548 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,1,0,0,0,0|3,0,0]=4 3549 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,1,0,0,0,0|3,0,0]=4 3550 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,0,0,0,0|3,0,0]=4 3551 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,0,0,0,0|3,0,0]=4 3552 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,1,0,0,0,0|3,0,0]=4 3553 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,1,0,0,0,0|3,0,0]=4 3554 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,1,0,0,0,0|2,0,1]=4 3555 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|2,0,0]=3 3556 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|2,0,0]=3 3557 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,1,0,0,0,0|3,0,0]=4 3558 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,1,0,0,0,0|3,0,0]=4 3559 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,1,0,0,0,0|3,0,0]=4 3560 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,1,0,0,0,0|3,0,0]=4 3561 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,1,0,0,0,0|3,0,0]=4 3562 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,1,0,0,0,0|3,0,0]=4 3563 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,1,0,0,0,0|1,0,2]=4 3564 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 3565 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 3566 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 3567 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,1,0,0,0,0|1,0,2]=4 3568 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,1,0,0,0,0|1,0,2]=4 3569 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,1,0,0,0,0|1,0,2]=4 3570 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,0,0,0,0|1,0,2]=4 3571 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,0,0,0,0|1,0,2]=4 3572 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,1,0,0,0,0|1,0,2]=4 3573 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,1,0,0,0,0|1,0,2]=4 3574 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,1,0,0,0,0|1,0,2]=4 3575 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,1,0,0,0,0|1,0,2]=4 3576 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,0,0,0,0|1,0,2]=4 3577 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,1,0,0,0,0|1,0,2]=4 3578 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,0,0,0,0|1,0,2]=4 3579 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,1,0,0,0,0|1,0,2]=4 3580 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,1,0,0,0,0|1,0,2]=4 3581 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,1,0,0,0,0|1,0,2]=4 3582 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|1,0,0]=2 3583 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|1,0,0]=2 3584 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|1,0,0]=2 3585 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|2,0,0]=3 3586 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 3587 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 3588 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 3589 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|1,0,0]=2 3590 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|1,0,0]=2 3591 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|1,0,0]=2 3592 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|2,0,1]=4 3593 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|2,0,1]=4 3594 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|2,0,1]=4 3595 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 3596 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|2,0,1]=4 3597 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|2,0,1]=4 3598 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 3599 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 3600 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|3,0,0]=4 3601 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|3,0,0]=4 3602 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,1,0,0,0,0|3,0,0]=4 3603 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,1,0,0,0,0|3,0,0]=4 3604 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,1,0,0,0,0|3,0,0]=4 3605 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,1,0,0,0,0|3,0,0]=4 3606 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,1,0,0,0,0|3,0,0]=4 3607 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,1,0,0,0,0|3,0,0]=4 3608 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,1,0,0,0,0|3,0,0]=4 3609 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|3,0,0]=4 3610 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 3611 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 3612 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 3613 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|2,0,0]=3 3614 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 3615 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 3616 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 3617 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|2,0,0]=3 3618 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 3619 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 3620 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 3621 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,1,0,0,0,0|3,0,0]=4 3622 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|3,0,0]=4 3623 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|2,0,0]=3 3624 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|2,0,0]=3 3625 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|2,0,0]=3 3626 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|2,0,0]=3 3627 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|2,0,0]=3 3628 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,0,0,0,0|3,0,0]=4 3629 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,0,0,0,0|3,0,0]=4 3630 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,0,0,0,0|3,0,0]=4 3631 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,0,0,0,0|3,0,0]=4 3632 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|2,0,0]=3 3633 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|2,0,0]=3 3634 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|2,0,0]=3 3635 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 3636 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 3637 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 3638 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,1,0,0,0,0|2,0,0]=3 3639 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 3640 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|2,0,0]=3 3641 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|2,0,0]=3 3642 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|2,0,0]=3 3643 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|2,0,0]=3 3644 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|2,0,0]=3 3645 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 3646 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 3647 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 3648 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 3649 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,1,0,0,0,0|2,0,0]=3 3650 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,1,0,0,0,0|2,0,0]=3 3651 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,1,0,0,0,0|2,0,0]=3 3652 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,1,0,0,0,0|2,0,0]=3 3653 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|2,0,0]=3 3654 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|2,0,0]=3 3655 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|2,0,0]=3 3656 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|3,0,0]=4 3657 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 3658 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 3659 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 3660 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,1,0,0,0,0|2,0,0]=3 3661 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 3662 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|2,0,0]=3 3663 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|2,0,0]=3 3664 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|2,0,0]=3 3665 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|2,0,0]=3 3666 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|2,0,0]=3 3667 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|3,0,0]=4 3668 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 3669 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 3670 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 3671 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 3672 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,1,0,0,0,0|2,0,0]=3 3673 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,1,0,0,0,0|2,0,0]=3 3674 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|2,0,0]=3 3675 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|2,0,0]=3 3676 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,1,0,0,0,0|3,0,0]=4 3677 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,1,0,0,0,0|3,0,0]=4 3678 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 3679 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 3680 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 3681 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 3682 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,1,0,0,0,0|2,0,0]=3 3683 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,1,0,0,0,0|2,0,0]=3 3684 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|2,0,0]=3 3685 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|2,0,0]=3 3686 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,1,0,0,0,0|3,0,0]=4 3687 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,1,0,0,0,0|3,0,0]=4 3688 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,1,0,0,0,0|3,0,0]=4 3689 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,1,0,0,0,0|3,0,0]=4 3690 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,1,0,0,0,0|3,0,0]=4 3691 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,1,0,0,0,0|3,0,0]=4 3692 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,1,0,0,0,0|3,0,0]=4 3693 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,1,0,0,0,0|3,0,0]=4 3694 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,1,0,0,0,0|3,0,0]=4 3695 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,1,0,0,0,0|3,0,0]=4 3696 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 3697 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 3698 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,1,0,0,0,0|3,0,0]=4 3699 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,1,0,0,0,0|3,0,0]=4 3700 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,1,0,0,0,0|3,0,0]=4 3701 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,1,0,0,0,0|3,0,0]=4 3702 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,1,0,0,0,0|3,0,0]=4 3703 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 3704 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,1,0,0,0,0|2,0,0]=3 3705 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 3706 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,1,0,0,0,0|3,0,0]=4 3707 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,1,0,0,0,0|3,0,0]=4 3708 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|2,0,0]=3 3709 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|2,0,0]=3 3710 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|2,0,0]=3 3711 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|3,0,0]=4 3712 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 3713 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 3714 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 3715 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 3716 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|2,0,0]=3 3717 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|2,0,0]=3 3718 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,1,0,0,0,0|3,0,0]=4 3719 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,1,0,0,0,0|3,0,0]=4 3720 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,1,0,0,0,0|3,0,0]=4 3721 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,1,0,0,0,0|3,0,0]=4 3722 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,1,0,0,0,0|3,0,0]=4 3723 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,1,0,0,0,0|3,0,0]=4 3724 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|3,0,0]=4 3725 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|3,0,0]=4 3726 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|3,0,0]=4 3727 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,1,0,0,0,0|3,0,0]=4 3728 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|3,0,0]=4 3729 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|3,0,0]=4 3730 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,1,0,0,0,0|3,0,0]=4 3731 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,1,0,0,0,0|3,0,0]=4 3732 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,1,0,0,0,0|3,0,0]=4 3733 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,1,0,0,0,0|3,0,0]=4 3734 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|2,0,0]=3 3735 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 3736 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 3737 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 3738 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 3739 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|2,0,0]=3 3740 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|2,0,0]=3 3741 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,0,0,0,0|3,0,0]=4 3742 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,0,0,0,0|3,0,0]=4 3743 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,0,0,0,0|3,0,0]=4 3744 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,0,0,0,0|3,0,0]=4 3745 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,0,0,0,0|3,0,0]=4 3746 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,0,0,0,0|3,0,0]=4 3747 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,0,0,0,0|3,0,0]=4 3748 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,0,0,0,0|3,0,0]=4 3749 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,1,0,0,0,0|3,0,0]=4 3750 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|3,0,0]=4 3751 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|3,0,0]=4 3752 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|3,0,0]=4 3753 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,1,0,0,0,0|3,0,0]=4 3754 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|3,0,0]=4 3755 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|3,0,0]=4 3756 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,1,0,0,0,0|3,0,0]=4 3757 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,1,0,0,0,0|3,0,0]=4 3758 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,1,0,0,0,0|3,0,0]=4 3759 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,1,0,0,0,0|3,0,0]=4 3760 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|2,0,1]=4 3761 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|2,0,0]=3 3762 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|2,0,0]=3 3763 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,0,0,0,0|3,0,0]=4 3764 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,0,0,0,0|3,0,0]=4 3765 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|2,0,1]=4 3766 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|2,0,0]=3 3767 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|2,0,0]=3 3768 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,0,0,0,0|3,0,0]=4 3769 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,0,0,0,0|3,0,0]=4 3770 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,0,0,0,0|3,0,0]=4 3771 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|3,0,0]=4 3772 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|3,0,0]=4 3773 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,1,0,0,0,0|1,0,1]=3 3774 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,1,0,0,0,0|1,0,1]=3 3775 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,1,0,0,0,0|1,0,1]=3 3776 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,1,0,0,0,0|1,0,1]=3 3777 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,1,0,0,0,0|1,0,1]=3 3778 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,1,0,0,0,0|1,0,1]=3 3779 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,1,0,0,0,0|1,0,1]=3 3780 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,1,0,0,0,0|1,0,1]=3 3781 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,1,0,0,0,0|2,0,1]=4 3782 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,1,0,0,0,0|1,0,1]=3 3783 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,1,0,0,0,0|1,0,1]=3 3784 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,1,0,0,0,0|1,0,1]=3 3785 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,1,0,0,0,0|1,0,1]=3 3786 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [0,1,0,0,0,0|3,0,0]=4 3787 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [0,1,0,0,0,0|3,0,0]=4 3788 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [0,1,0,0,0,0|3,0,0]=4 3789 B9R0.50 CCCNCC(OC)OC 270004a_100020643023_100000752162 [0,1,0,0,0,0|1,0,2]=4 3790 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,1,0,0,0,0|2,0,1]=4 3791 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,1,0,0,0,0|2,0,1]=4 3792 B9R0.50 CCCOCC(OC)OC 34a_100000210258_100000211822 [0,1,0,0,0,0|1,0,2]=4 3793 B9R0.50 CCCOCC(OC)OC 34a_100011216393_100000210303 [0,1,0,0,0,0|1,0,2]=4 3794 B9R0.50 CCCSCC(OC)OC 62a_100000210303_100000751394 [0,1,0,0,0,0|1,0,2]=4 3795 B9R0.50 CCCSCC(OC)OC 62a_100000751394_100000210303 [0,1,0,0,0,0|1,0,2]=4 3796 B9R0.50 CCNCCC(OC)OC 2230a_100015525214_100009813347 [0,1,0,0,0,0|1,0,2]=4 3797 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [0,1,0,0,0,0|1,0,2]=4 3798 B9R0.50 CCSCCC(OC)OC 62a_100000139399_100000210202 [0,1,0,0,0,0|1,0,2]=4 3799 B9R0.50 CCSCCC(OC)OC 62a_100000210202_100000139399 [0,1,0,0,0,0|1,0,2]=4 3800 B9R0.50 CNCCCC(OC)OC 2230a_106832991635_100000069011 [0,1,0,0,0,0|1,0,2]=4 3801 B9R0.50 CNCCCC(OC)OC 34a_100102657272_100000069011 [0,1,0,0,0,0|1,0,2]=4 3802 B9R0.50 CNCCCC(OC)OC 7a_106832991635_100000069011 [0,1,0,0,0,0|1,0,2]=4 3803 B9R0.50 COC(CCCSC)OC 62a_100000069011_200000210301 [0,1,0,0,0,0|1,0,2]=4 3804 B9R0.50 COC(CCCSC)OC 62a_200000210301_100000069011 [0,1,0,0,0,0|1,0,2]=4 3805 B9R0.50 COC(CCCS[13CH3])OC 62a_100000069011_200025704644 [0,1,0,0,0,0|1,0,2]=4 3806 B9R0.50 COC(CCCS[13CH3])OC 62a_200025704644_100000069011 [0,1,0,0,0,0|1,0,2]=4 3807 B9R0.50 COCCCC(OC)OC 34a_100138415774_100000069011 [0,1,0,0,0,0|1,0,2]=4 3808 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,0,0,1,0,0|3,0,0]=4 3809 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,0,0,1,0,0|3,0,0]=4 3810 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,0,0,1,0,0|3,0,0]=4 3811 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,0,0,1,0,0|3,0,0]=4 3812 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,0,0,1,0,0|3,0,0]=4 3813 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,0,0,1,0,0|3,0,0]=4 3814 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,0,0,1,0,0|3,0,0]=4 3815 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,0,0,1,0,0|3,0,0]=4 3816 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,0,0,1,0,0|3,0,0]=4 3817 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,0,0,1,0,0|3,0,0]=4 3818 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,0,0,1,0,0|3,0,0]=4 3819 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,0,0,1,0,0|3,0,0]=4 3820 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,0,0,1,0,0|3,0,0]=4 3821 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,0,0,1,0,0|3,0,0]=4 3822 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,0,0,1,0,0|3,0,0]=4 3823 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,0,1,0,0|2,0,0]=3 3824 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,0,1,0,0|2,0,0]=3 3825 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,0|2,0,0]=3 3826 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,0|2,0,0]=3 3827 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,1,0,0|2,0,0]=3 3828 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,0,0,1,0,0|3,0,0]=4 3829 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,0,1,0,0|2,0,0]=3 3830 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,0,1,0,0|2,0,0]=3 3831 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,0|2,0,0]=3 3832 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,0|2,0,0]=3 3833 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,1,0,0|2,0,0]=3 3834 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,0,0,1,0,0|3,0,0]=4 3835 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|1,0,2]=4 3836 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,0,0,1,0,0|2,0,1]=4 3837 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,0,0,1,0,0|2,0,1]=4 3838 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 3839 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,0,0,1,0,0|2,0,1]=4 3840 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,0,0,1,0,0|1,0,1]=3 3841 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,0,0,1,0,0|3,0,0]=4 3842 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,0,0,1,0,0|3,0,0]=4 3843 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,0,0,1,0,0|3,0,0]=4 3844 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 3845 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,0,0,1,0,0|2,0,1]=4 3846 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,0,0,1,0,0|2,0,1]=4 3847 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|1,0,2]=4 3848 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,0,0,1,0,0|1,0,1]=3 3849 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,0,0,1,0,0|2,0,1]=4 3850 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,0,0,1,0,0|2,0,1]=4 3851 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,0,0,1,0,0|2,0,1]=4 3852 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,0,0,1,0,0|2,0,1]=4 3853 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,0,0,1,0,0|2,0,1]=4 3854 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,0,0,1,0,0|2,0,1]=4 3855 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,0,0,1,0,0|2,0,1]=4 3856 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,0,0,1,0,0|2,0,1]=4 3857 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 3858 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 3859 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,0,0,1,0,0|3,0,0]=4 3860 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 3861 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 3862 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,0,0,1,0,0|3,0,0]=4 3863 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 3864 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 3865 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,0,0,1,0,0|2,0,1]=4 3866 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 3867 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 3868 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,0,0,1,0,0|2,0,1]=4 3869 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|2,0,0]=3 3870 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|2,0,0]=3 3871 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|2,0,0]=3 3872 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|2,0,0]=3 3873 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|2,0,0]=3 3874 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|2,0,0]=3 3875 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,0,0,1,0,0|1,0,2]=4 3876 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 3877 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,0]=3 3878 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 3879 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,0|3,0,0]=4 3880 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,0|3,0,0]=4 3881 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|2,0,0]=3 3882 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 3883 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,0|3,0,0]=4 3884 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 3885 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,0|3,0,0]=4 3886 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|2,0,0]=3 3887 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|2,0,0]=3 3888 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|2,0,0]=3 3889 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,0,0,1,0,0|1,0,2]=4 3890 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,0|3,0,0]=4 3891 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|2,0,0]=3 3892 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,0|3,0,0]=4 3893 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,0|3,0,0]=4 3894 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|2,0,0]=3 3895 B9R1.7 COCN1CNC(=O)C1 2230a_200000708111_100000766300 [0,0,0,1,0,0|3,0,0]=4 3896 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|2,0,0]=3 3897 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,0,0,1,0,0|1,0,2]=4 3898 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,0,0,1,0,0|1,0,2]=4 3899 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,0|3,0,0]=4 3900 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,0|3,0,0]=4 3901 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|2,0,0]=3 3902 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|2,0,0]=3 3903 B9R1.7 CSCN1CNC(=O)C1 2230a_200000708111_100011218213 [0,0,0,1,0,0|3,0,0]=4 3904 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,0|3,0,0]=4 3905 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,0|3,0,0]=4 3906 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|2,0,0]=3 3907 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|2,0,0]=3 3908 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,0,0,1,0,0|3,0,0]=4 3909 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,1,0,0|3,0,0]=4 3910 B9R1.7 O=C1CN(CN1)CCF 2230a_200000708111_100011217306 [0,0,0,1,0,0|3,0,0]=4 3911 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,0,0,1,0,0|3,0,0]=4 3912 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,0,0,1,0,0|3,0,0]=4 3913 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 3914 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,0]=3 3915 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 3916 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,0|3,0,0]=4 3917 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,0|3,0,0]=4 3918 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|2,0,0]=3 3919 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,0|3,0,0]=4 3920 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,0,0,1,0,0|1,0,2]=4 3921 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,0,0,1,0,0|1,0,2]=4 3922 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,0|3,0,0]=4 3923 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,0|3,0,0]=4 3924 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|2,0,0]=3 3925 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|2,0,0]=3 3926 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,0|3,0,0]=4 3927 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,0|3,0,0]=4 3928 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|2,0,0]=3 3929 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|2,0,0]=3 3930 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,0,0,1,0,0|1,0,1]=3 3931 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,0,0,1,0,0|2,0,1]=4 3932 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,0,0,1,0,0|1,0,1]=3 3933 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,0,0,1,0,0|2,0,1]=4 3934 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,0,0,1,0,0|2,0,1]=4 3935 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [0,0,0,1,0,0|2,0,1]=4 3936 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [0,0,0,1,0,0|2,0,1]=4 3937 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,0,0,1,0,0|1,0,1]=3 3938 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,0,0,1,0,0|1,0,1]=3 3939 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,0,1,0,0|1,0,2]=4 3940 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,0,0,1,0,0|1,0,2]=4 3941 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,0,0,1,0,0|1,0,0]=2 3942 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,0,0,1,0,0|1,0,0]=2 3943 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,0,0,1,0,0|2,0,0]=3 3944 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,0,1,0,0|2,0,0]=3 3945 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,0,1,0,0|2,0,0]=3 3946 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,0,0,1,0,0|2,0,0]=3 3947 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,0,0,1,0,0|2,0,0]=3 3948 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [0,0,0,1,0,0|3,0,0]=4 3949 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [0,0,0,1,0,0|3,0,0]=4 3950 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [0,0,0,1,0,0|3,0,0]=4 3951 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,0,1,0,0|2,0,0]=3 3952 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,0,0,1,0,0|3,0,0]=4 3953 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,0,0,1,0,0|3,0,0]=4 3954 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,0,0,1,0,0|3,0,0]=4 3955 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,0,0,1,0,0|3,0,0]=4 3956 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,0,0,1,0,0|3,0,0]=4 3957 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,0,1,0,0|1,0,2]=4 3958 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,0,1,0,0|1,0,2]=4 3959 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,0,1,0,0|1,0,2]=4 3960 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,0,0,1,0,0|1,0,2]=4 3961 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,0,0,1,0,0|1,0,2]=4 3962 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,0,0,1,0,0|1,0,2]=4 3963 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,0,0,1,0,0|1,0,2]=4 3964 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,0,0,1,0,0|1,0,0]=2 3965 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,0,0,1,0,0|1,0,0]=2 3966 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,0,0,1,0,0|1,0,0]=2 3967 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,0,0,1,0,0|1,0,0]=2 3968 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,0,0,1,0,0|2,0,0]=3 3969 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,0,0,1,0,0|2,0,0]=3 3970 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,0,0,1,0,0|2,0,0]=3 3971 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,0,0,1,0,0|2,0,0]=3 3972 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,0,0,1,0,0|2,0,0]=3 3973 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,0,0,1,0,0|2,0,0]=3 3974 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,0,0,1,0,0|2,0,0]=3 3975 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,0,0,1,0,0|2,0,0]=3 3976 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,0,0,1,0,0|2,0,0]=3 3977 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,0,0,1,0,0|2,0,0]=3 3978 B9R1.11 CNC(=O)N1CCSC1 2708a_100102657272_100011215254 [0,0,0,1,0,0|3,0,0]=4 3979 B9R1.11 CNC(=O)N1CCSC1 273464a_100102657272_100011215254 [0,0,0,1,0,0|3,0,0]=4 3980 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,0,0,1,0,0|2,0,0]=3 3981 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,0,0,1,0,0|2,0,0]=3 3982 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,0,0,1,0,0|2,0,0]=3 3983 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,0,0,1,0,0|2,0,0]=3 3984 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [0,0,0,1,0,0|2,0,1]=4 3985 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [0,0,0,1,0,0|2,0,1]=4 3986 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [0,0,0,1,0,0|2,0,1]=4 3987 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [0,0,0,1,0,0|2,0,1]=4 3988 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,0,0,1,0,0|1,0,1]=3 3989 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,0,0,1,0,0|1,0,1]=3 3990 B9R1.11 COC(C)N1CCCC1 269982a_100000188435_100009879195 [0,0,0,1,0,0|2,0,1]=4 3991 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,0,0,1,0,0|2,0,0]=3 3992 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,0,0,1,0,0|3,0,0]=4 3993 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,0,0,1,0,0|3,0,0]=4 3994 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,0,0,1,0,0|3,0,0]=4 3995 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,0,0,1,0,0|2,0,0]=3 3996 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,0,0,1,0,0|3,0,0]=4 3997 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,0,0,1,0,0|3,0,0]=4 3998 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,0,0,1,0,0|3,0,0]=4 3999 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,0,0,1,0,0|3,0,0]=4 4000 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|2,0,1]=4 4001 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|2,0,1]=4 4002 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|2,0,1]=4 4003 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|2,0,1]=4 4004 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|2,0,1]=4 4005 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|2,0,1]=4 4006 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,0,0,1,0,0|2,0,1]=4 4007 B9R1.21 CCN1CC[C@H](C1)OC 2230a_100000766984_100000210202 [0,0,0,1,0,0|2,0,1]=4 4008 B9R1.21 CCN1CC[C@H](C1)OC 269982a_100000766984_100000204670 [0,0,0,1,0,0|2,0,1]=4 4009 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|2,0,0]=3 4010 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|2,0,0]=3 4011 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|2,0,0]=3 4012 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 4013 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|2,0,0]=3 4014 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,1,0,0|3,0,0]=4 4015 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,1,0,0|3,0,0]=4 4016 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|2,0,0]=3 4017 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|2,0,0]=3 4018 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,1,0,0|3,0,0]=4 4019 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,1,0,0|3,0,0]=4 4020 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,0,1,0,0|3,0,0]=4 4021 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,0,0,1,0,0|3,0,0]=4 4022 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|3,0,0]=4 4023 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,0,0,1,0,0|3,0,0]=4 4024 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,0,1,0,0|3,0,0]=4 4025 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,0,1,0,0|3,0,0]=4 4026 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|3,0,0]=4 4027 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|3,0,0]=4 4028 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|2,0,0]=3 4029 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|2,0,0]=3 4030 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 4031 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 4032 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 4033 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 4034 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 4035 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 4036 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 4037 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 4038 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 4039 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 4040 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 4041 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 4042 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 4043 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 4044 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 4045 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 4046 B9R1.58 CCCN1CC(C1)OC 269982a_100000755009_100000210303 [0,0,0,1,0,0|2,0,1]=4 4047 B9R1.58 CCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210202 [0,0,0,1,0,0|2,0,1]=4 4048 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [0,0,0,1,0,0|3,0,0]=4 4049 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [0,0,0,1,0,0|3,0,0]=4 4050 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [0,0,0,1,0,0|3,0,0]=4 4051 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [0,0,0,1,0,0|3,0,0]=4 4052 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [0,0,0,1,0,0|3,0,0]=4 4053 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [0,0,0,1,0,0|3,0,0]=4 4054 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 2708a_100102657272_100015190264 [0,0,0,1,0,0|3,0,0]=4 4055 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100102657272 [0,0,0,1,0,0|3,0,0]=4 4056 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 273464a_100102657272_100015190264 [0,0,0,1,0,0|3,0,0]=4 4057 B9R1.78 CNC(=O)N[C@@H]1C[C@@H]1F 512a_106832991638_100015190264 [0,0,0,1,0,0|3,0,0]=4 4058 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 2708a_100102657272_100025746932 [0,0,0,1,0,0|3,0,0]=4 4059 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 273464a_100102657272_100025746932 [0,0,0,1,0,0|3,0,0]=4 4060 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100102657272 [0,0,0,1,0,0|3,0,0]=4 4061 B9R1.78 CNC(=O)N[C@@H]1C[C@H]1F 512a_106832991638_100025746932 [0,0,0,1,0,0|3,0,0]=4 4062 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,0,0,1,0,0|1,0,1]=3 4063 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,0,0,1,0,0|2,0,1]=4 4064 B9R1.79 C#CC(=O)CC1COC1 1458a_100000211873_100010264016 [0,0,0,1,0,0|2,0,1]=4 4065 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,0,1,0,0|1,0,1]=3 4066 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,0,0,1,0,0|2,0,1]=4 4067 B9R1.79 C=CC(=O)CC1COC1 1458a_100000185746_100010264016 [0,0,0,1,0,0|2,0,1]=4 4068 B9R1.79 C=CC(=O)NC1CCC1 1626a_100000749019_100000185746 [0,0,0,1,0,0|2,0,1]=4 4069 B9R1.79 C=CC(=O)NC1CCC1 240690a_100000749019_200121576911 [0,0,0,1,0,0|2,0,1]=4 4070 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [0,0,0,1,0,0|1,0,2]=4 4071 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,0,1,0,0|1,0,0]=2 4072 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,0,1,0,0|1,0,0]=2 4073 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,0,1,0,0|2,0,0]=3 4074 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,0,1,0,0|2,0,0]=3 4075 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,0,1,0,0|2,0,0]=3 4076 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [0,0,0,1,0,0|2,0,0]=3 4077 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [0,0,0,1,0,0|2,0,0]=3 4078 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [0,0,0,1,0,0|2,0,0]=3 4079 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [0,0,0,1,0,0|2,0,0]=3 4080 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [0,0,0,1,0,0|2,0,0]=3 4081 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,0,0,1,0,0|3,0,0]=4 4082 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,0,0,1,0,0|3,0,0]=4 4083 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,0,0,1,0,0|3,0,0]=4 4084 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,0,0,1,0,0|3,0,0]=4 4085 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [0,0,0,1,0,0|3,0,0]=4 4086 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [0,0,0,1,0,0|3,0,0]=4 4087 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [0,0,0,1,0,0|3,0,0]=4 4088 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [0,0,0,1,0,0|3,0,0]=4 4089 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [0,0,0,1,0,0|3,0,0]=4 4090 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [0,0,0,1,0,0|3,0,0]=4 4091 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [0,0,0,1,0,0|3,0,0]=4 4092 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [0,0,0,1,0,0|3,0,0]=4 4093 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [0,0,0,1,0,0|3,0,0]=4 4094 B9R1.79 CNC(=O)C=C1CCC1 11a_106832991635_100000686340 [0,0,0,1,0,0|1,0,2]=4 4095 B9R1.79 CNC(=O)C=C1CCC1 240690a_100102657272_100000686340 [0,0,0,1,0,0|1,0,2]=4 4096 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,0,0,1,0,0|1,0,0]=2 4097 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,0,0,1,0,0|1,0,0]=2 4098 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,0,0,1,0,0|1,0,0]=2 4099 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,0,0,1,0,0|1,0,0]=2 4100 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [0,0,0,1,0,0|2,0,0]=3 4101 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [0,0,0,1,0,0|2,0,0]=3 4102 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [0,0,0,1,0,0|2,0,0]=3 4103 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [0,0,0,1,0,0|2,0,0]=3 4104 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [0,0,0,1,0,0|2,0,0]=3 4105 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [0,0,0,1,0,0|2,0,0]=3 4106 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [0,0,0,1,0,0|2,0,0]=3 4107 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [0,0,0,1,0,0|2,0,0]=3 4108 B9R1.79 CNC(=O)NC1COC1 2708a_100016991112_106832991635 [0,0,0,1,0,0|3,0,0]=4 4109 B9R1.79 CNC(=O)NC1COC1 2708a_100102657272_100016991112 [0,0,0,1,0,0|3,0,0]=4 4110 B9R1.79 CNC(=O)NC1COC1 273464a_100016991112_100102657272 [0,0,0,1,0,0|3,0,0]=4 4111 B9R1.79 CNC(=O)NC1COC1 273464a_100102657272_100016991112 [0,0,0,1,0,0|3,0,0]=4 4112 B9R1.79 CNC(=O)NC1COC1 512a_100016991112_100102657272 [0,0,0,1,0,0|3,0,0]=4 4113 B9R1.79 CNC(=O)NC1COC1 512a_106832991638_100016991112 [0,0,0,1,0,0|3,0,0]=4 4114 B9R1.79 CNC(=O)NC1CSC1 2708a_100016994217_106832991635 [0,0,0,1,0,0|3,0,0]=4 4115 B9R1.79 CNC(=O)NC1CSC1 2708a_100102657272_100016994217 [0,0,0,1,0,0|3,0,0]=4 4116 B9R1.79 CNC(=O)NC1CSC1 273464a_100016994217_100102657272 [0,0,0,1,0,0|3,0,0]=4 4117 B9R1.79 CNC(=O)NC1CSC1 273464a_100102657272_100016994217 [0,0,0,1,0,0|3,0,0]=4 4118 B9R1.79 CNC(=O)NC1CSC1 512a_100016994217_100102657272 [0,0,0,1,0,0|3,0,0]=4 4119 B9R1.79 CNC(=O)NC1CSC1 512a_106832991638_100016994217 [0,0,0,1,0,0|3,0,0]=4 4120 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,0,0,1,0,0|1,0,0]=2 4121 B9R1.79 COC(C)SC1CCC1 62a_100009879195_100000749161 [0,0,0,1,0,0|2,0,1]=4 4122 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,0,0,1,0,0|2,0,0]=3 4123 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [0,0,0,1,0,0|3,0,0]=4 4124 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,0,1,0,0|2,0,0]=3 4125 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,0,0,1,0,0|3,0,0]=4 4126 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,0,0,1,0,0|3,0,0]=4 4127 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,0,0,1,0,0|3,0,0]=4 4128 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,0,0,1,0,0|3,0,0]=4 4129 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,0,0,1,0,0|1,0,1]=3 4130 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,0,0,1,0,0|2,0,1]=4 4131 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,0,0,1,0,0|1,0,1]=3 4132 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,0,0,1,0,0|2,0,1]=4 4133 B9R1.80 C=CC(=O)NCC1CC1 1626a_100000735609_100000185746 [0,0,0,1,0,0|2,0,1]=4 4134 B9R1.80 C=CC(=O)NCC1CC1 240690a_100000735609_200121576911 [0,0,0,1,0,0|2,0,1]=4 4135 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,0,0,1,0,0|1,0,2]=4 4136 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,0,0,1,0,0|1,0,0]=2 4137 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,0,0,1,0,0|1,0,0]=2 4138 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,0,1,0,0|2,0,0]=3 4139 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [0,0,0,1,0,0|2,0,0]=3 4140 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [0,0,0,1,0,0|2,0,0]=3 4141 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [0,0,0,1,0,0|2,0,0]=3 4142 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [0,0,0,1,0,0|2,0,0]=3 4143 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [0,0,0,1,0,0|2,0,0]=3 4144 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [0,0,0,1,0,0|2,0,0]=3 4145 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [0,0,0,1,0,0|3,0,0]=4 4146 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [0,0,0,1,0,0|3,0,0]=4 4147 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [0,0,0,1,0,0|3,0,0]=4 4148 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,0,0,1,0,0|1,0,2]=4 4149 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,0,0,1,0,0|1,0,2]=4 4150 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,0,0,1,0,0|1,0,2]=4 4151 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,0,0,1,0,0|1,0,0]=2 4152 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,0,0,1,0,0|1,0,0]=2 4153 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,0,0,1,0,0|1,0,0]=2 4154 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,0,0,1,0,0|1,0,0]=2 4155 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [0,0,0,1,0,0|2,0,0]=3 4156 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [0,0,0,1,0,0|2,0,0]=3 4157 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [0,0,0,1,0,0|2,0,0]=3 4158 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [0,0,0,1,0,0|2,0,0]=3 4159 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [0,0,0,1,0,0|2,0,0]=3 4160 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [0,0,0,1,0,0|2,0,0]=3 4161 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [0,0,0,1,0,0|2,0,0]=3 4162 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [0,0,0,1,0,0|2,0,0]=3 4163 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [0,0,0,1,0,0|2,0,0]=3 4164 B9R1.80 CNC(=O)NNC1CC1 273464a_100102657272_100000701032 [0,0,0,1,0,0|3,0,0]=4 4165 B9R1.80 CNC(=O)NNC1CC1 512a_100000701032_100102657272 [0,0,0,1,0,0|3,0,0]=4 4166 B9R1.80 CNC(=O)NNC1CC1 512a_106832991638_100000701032 [0,0,0,1,0,0|3,0,0]=4 4167 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,0,0,1,0,0|1,0,0]=2 4168 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,0,0,1,0,0|1,0,0]=2 4169 B9R1.80 COC(C)COC1CC1 34a_100000690652_100000211595 [0,0,0,1,0,0|2,0,1]=4 4170 B9R1.80 COC(C)SCC1CC1 62a_100000756562_100009879195 [0,0,0,1,0,0|2,0,1]=4 4171 B9R1.80 COC(C)SCC1CC1 62a_100009879195_100000742324 [0,0,0,1,0,0|2,0,1]=4 4172 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,0,0,1,0,0|2,0,0]=3 4173 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,0,1,0,0|2,0,0]=3 4174 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,0,0,1,0,0|3,0,0]=4 4175 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,0,0,1,0,0|3,0,0]=4 4176 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,0,0,1,0,0|3,0,0]=4 4177 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,0,0,1,0,0|2,0,1]=4 4178 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,0,0,1,0,0|3,0,0]=4 4179 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,0,0,1,0,0|3,0,0]=4 4180 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,0,0,1,0,0|2,0,1]=4 4181 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,0,0,1,0,0|2,0,0]=3 4182 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,0,0,1,0,0|2,0,0]=3 4183 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,0,0,1,0,0|2,0,0]=3 4184 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,0,0,1,0,0|2,0,0]=3 4185 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,0,0,1,0,0|2,0,0]=3 4186 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,0,0,1,0,0|1,0,0]=2 4187 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,0,0,1,0,0|1,0,0]=2 4188 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,0,0,1,0,0|1,0,0]=2 4189 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,0,0,1,0,0|1,0,0]=2 4190 B9R1.81 COC(C)N1CCC1C 269982a_100000755817_100009879195 [0,0,0,1,0,0|2,0,1]=4 4191 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,0,0,1,0,0|1,0,0]=2 4192 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [0,0,0,1,0,0|2,0,1]=4 4193 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,0,0,1,0,0|2,0,0]=3 4194 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,0,0,1,0,0|1,0,0]=2 4195 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,0,0,1,0,0|1,0,0]=2 4196 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,0,0,1,0,0|1,0,0]=2 4197 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,0,0,1,0,0|1,0,0]=2 4198 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,0,0,1,0,0|1,0,0]=2 4199 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 11a_106832991635_100015294237 [0,0,0,1,0,0|2,0,1]=4 4200 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 1626a_100102657272_100015294237 [0,0,0,1,0,0|2,0,1]=4 4201 B9R1.88 CNC(=O)[C@@H]1C[C@H]1C#N 240690a_100102657272_100015294237 [0,0,0,1,0,0|2,0,1]=4 4202 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,0,1,0,0|3,0,0]=4 4203 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,0,1,0,0|3,0,0]=4 4204 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,0,1,0,0|3,0,0]=4 4205 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,0,0,1,0,0|2,0,1]=4 4206 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,0,0,1,0,0|2,0,1]=4 4207 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,0,0,1,0,0|2,0,1]=4 4208 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,0,0,1,0,0|2,0,1]=4 4209 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,0,0,1,0,0|1,0,1]=3 4210 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,0,0,1,0,0|1,0,1]=3 4211 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,0,0,1,0,0|1,0,1]=3 4212 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,0,0,1,0,0|1,1,1]=4 4213 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,0,0,1,0,0|1,1,1]=4 4214 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,0,0,1,0,0|2,0,1]=4 4215 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,0,0,1,0,0|2,0,1]=4 4216 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,0,0,1,0,0|1,0,1]=3 4217 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,0,0,1,0,0|1,0,1]=3 4218 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,0,0,1,0,0|1,1,1]=4 4219 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,0,0,1,0,0|1,1,1]=4 4220 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [0,0,0,1,0,0|2,0,1]=4 4221 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [0,0,0,1,0,0|2,0,1]=4 4222 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [0,0,0,1,0,0|2,0,1]=4 4223 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,0,0,1,0,0|2,0,1]=4 4224 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,0,0,1,0,0|2,0,1]=4 4225 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,0,0,1,0,0|1,0,1]=3 4226 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,0,0,1,0,0|1,0,1]=3 4227 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,0,0,1,0,0|2,0,1]=4 4228 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,0,0,1,0,0|2,0,1]=4 4229 B9R1.118 CC1(CCSCC1)O[13CH3] 34a_200011004327_200025704644 [0,0,0,1,0,0|2,0,1]=4 4230 B9R1.118 CC1(CCSCC1)O[13CH3] 7a_200011004327_200025704644 [0,0,0,1,0,0|2,0,1]=4 4231 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,0,0,1,0,0|2,0,1]=4 4232 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,0,0,1,0,0|2,0,1]=4 4233 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,0,0,1,0,0|1,0,1]=3 4234 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,0,0,1,0,0|1,0,1]=3 4235 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,0,0,1,0,0|2,0,1]=4 4236 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,0,0,1,0,0|2,0,1]=4 4237 B9R1.118 COC1(CCSCC1)C 34a_200011004327_200000210301 [0,0,0,1,0,0|2,0,1]=4 4238 B9R1.118 COC1(CCSCC1)C 7a_200011004327_200000210301 [0,0,0,1,0,0|2,0,1]=4 4239 B9R1.202 CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_200000210301 [0,0,0,1,0,0|2,0,1]=4 4240 B9R1.202 C[C@]1(CCC[C@H]1N)O[13CH3] 34a_100015977457_200025704644 [0,0,0,1,0,0|2,0,1]=4 4241 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [2,0,0,0,0,0|0,0,2]=4 4242 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [2,0,0,0,0,0|0,0,2]=4 4243 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [2,0,0,0,0,0|0,0,2]=4 4244 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [2,0,0,0,0,0|0,0,2]=4 4245 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [2,0,0,0,0,0|0,0,2]=4 4246 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|0,0,2]=4 4247 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|0,0,2]=4 4248 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,1]=4 4249 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,1]=4 4250 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,1]=4 4251 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,1]=4 4252 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4253 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 4254 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4255 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 4256 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 4257 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4258 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4259 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|0,0,2]=4 4260 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|0,0,2]=4 4261 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|0,0,2]=4 4262 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|0,0,2]=4 4263 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|0,0,2]=4 4264 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 4265 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 4266 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 4267 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 4268 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 4269 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 4270 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 4271 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 4272 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 4273 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 4274 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 4275 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 4276 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 4277 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 4278 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 4279 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [2,0,0,0,0,0|0,0,2]=4 4280 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [2,0,0,0,0,0|0,0,2]=4 4281 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|0,0,2]=4 4282 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|0,0,2]=4 4283 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|0,0,2]=4 4284 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,1]=4 4285 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,1]=4 4286 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,1]=4 4287 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,1]=4 4288 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 4289 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [2,0,0,0,0,0|0,0,2]=4 4290 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [2,0,0,0,0,0|0,0,2]=4 4291 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [2,0,0,0,0,0|0,0,2]=4 4292 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 4293 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 4294 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 4295 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 4296 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 4297 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,0,0]=2 4298 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,0,0]=2 4299 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,0,0]=2 4300 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,0,0]=2 4301 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,0,0]=2 4302 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|0,1,0]=3 4303 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|0,1,0]=3 4304 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|0,1,0]=3 4305 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|0,1,0]=3 4306 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 4307 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 4308 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 4309 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 4310 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 4311 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 4312 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 4313 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 4314 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 4315 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 4316 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 4317 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,1]=4 4318 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 4319 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|1,1,0]=4 4320 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 4321 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 4322 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,1]=4 4323 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 4324 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 4325 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|1,0,0]=3 4326 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|1,0,0]=3 4327 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|1,1,0]=4 4328 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|1,1,0]=4 4329 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 4330 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|1,0,0]=3 4331 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|1,0,0]=3 4332 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|1,1,0]=4 4333 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|1,1,0]=4 4334 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 4335 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 4336 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 4337 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 4338 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 4339 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 4340 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 4341 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 4342 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,0]=3 4343 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,0]=3 4344 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,0]=3 4345 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,0]=3 4346 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,0]=3 4347 B6R0.6 CCOCCON 34a_100000700252_100000210202 [2,0,0,0,0,0|2,0,0]=4 4348 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,0]=3 4349 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,0]=3 4350 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,1,0]=4 4351 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,1,0]=4 4352 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,1,0]=4 4353 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,1,0]=4 4354 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,1,0]=4 4355 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,1,0]=4 4356 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,1,0]=4 4357 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 4358 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 4359 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 4360 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 4361 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 4362 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 4363 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 4364 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|1,0,0]=3 4365 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|1,0,0]=3 4366 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|1,0,0]=3 4367 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|1,0,0]=3 4368 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|1,0,0]=3 4369 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|1,0,0]=3 4370 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|1,0,0]=3 4371 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|1,1,0]=4 4372 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|1,1,0]=4 4373 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|1,1,0]=4 4374 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|1,1,0]=4 4375 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|1,1,0]=4 4376 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|1,1,0]=4 4377 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 4378 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 4379 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 4380 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 4381 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 4382 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 4383 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 4384 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 4385 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 4386 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 4387 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 4388 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 4389 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,0]=3 4390 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,0]=3 4391 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,0]=3 4392 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 4393 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|1,1,0]=4 4394 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|1,0,0]=3 4395 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 4396 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 4397 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|1,0,0]=3 4398 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|1,0,0]=3 4399 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|1,0,0]=3 4400 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|1,0,0]=3 4401 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 4402 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 4403 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,0]=3 4404 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|1,0,0]=3 4405 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|1,0,0]=3 4406 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|1,0,0]=3 4407 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|1,0,0]=3 4408 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|1,0,0]=3 4409 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|1,0,0]=3 4410 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|1,0,0]=3 4411 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|1,0,0]=3 4412 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|1,0,0]=3 4413 B6R0.6 COCCOCF 34a_100000210237_100015361967 [2,0,0,0,0,0|2,0,0]=4 4414 B6R0.6 COCCSCF 62a_100000233755_100015361967 [2,0,0,0,0,0|2,0,0]=4 4415 B6R0.6 COCCSCF 62a_100015361967_100000233755 [2,0,0,0,0,0|2,0,0]=4 4416 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 4417 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 4418 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 4419 B6R0.6 COCSCCF 62a_100000766300_100011217306 [2,0,0,0,0,0|2,0,0]=4 4420 B6R0.6 COCSCCF 62a_100011217306_100000766300 [2,0,0,0,0,0|2,0,0]=4 4421 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 4422 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 4423 B6R0.6 COCSCOC 62a_100000766300_100000766300 [2,0,0,0,0,0|2,0,0]=4 4424 B6R0.6 COCSCSC 62a_100000766300_100011218213 [2,0,0,0,0,0|2,0,0]=4 4425 B6R0.6 COCSCSC 62a_100011218213_100000766300 [2,0,0,0,0,0|2,0,0]=4 4426 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 4427 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 4428 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|1,1,0]=4 4429 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|1,1,0]=4 4430 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4431 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 4432 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|1,1,0]=4 4433 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|1,0,0]=3 4434 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|1,0,0]=3 4435 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 4436 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 4437 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 4438 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 4439 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 4440 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 4441 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 4442 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 4443 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 4444 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 4445 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 4446 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 4447 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 4448 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|1,0,0]=3 4449 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 4450 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 4451 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|1,0,0]=3 4452 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|1,0,0]=3 4453 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|1,0,0]=3 4454 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 4455 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 4456 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 4457 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|1,1,0]=4 4458 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|1,1,0]=4 4459 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4460 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 4461 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 4462 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,1]=4 4463 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|2,0,0]=4 4464 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|2,0,0]=4 4465 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|2,0,0]=4 4466 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|2,0,0]=4 4467 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|2,0,0]=4 4468 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|2,0,0]=4 4469 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|2,0,0]=4 4470 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|2,0,0]=4 4471 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|2,0,0]=4 4472 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|2,0,0]=4 4473 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|2,0,0]=4 4474 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|2,0,0]=4 4475 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,0]=3 4476 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,0]=3 4477 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|2,0,0]=4 4478 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|2,0,0]=4 4479 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 4480 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 4481 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 4482 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 4483 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 4484 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [2,0,0,0,0,0|1,0,1]=4 4485 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [2,0,0,0,0,0|1,0,1]=4 4486 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 4487 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [2,0,0,0,0,0|1,0,1]=4 4488 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 4489 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 4490 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|2,0,0]=4 4491 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 4492 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 4493 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 4494 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 4495 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 4496 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 4497 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 4498 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 4499 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 4500 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 4501 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 4502 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 4503 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 4504 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 4505 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 4506 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 4507 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 4508 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 4509 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 4510 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 4511 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 4512 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 4513 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 4514 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 4515 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 4516 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 4517 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 4518 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 4519 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 4520 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 4521 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 4522 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 4523 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 4524 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 4525 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 4526 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 4527 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 4528 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 4529 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 4530 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 4531 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 4532 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 4533 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 4534 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 4535 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 4536 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 4537 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 4538 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 4539 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 4540 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 4541 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 4542 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 4543 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 4544 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 4545 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 4546 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 4547 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 4548 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 4549 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 4550 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 4551 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 4552 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 4553 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 4554 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 4555 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,0]=3 4556 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,0]=3 4557 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4558 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 4559 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 4560 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 4561 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 4562 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 4563 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 4564 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 4565 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 4566 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 4567 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 4568 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 4569 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 4570 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 4571 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 4572 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 4573 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 4574 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 4575 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 4576 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 4577 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 4578 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 4579 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 4580 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 4581 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 4582 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 4583 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 4584 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 4585 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 4586 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 4587 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 4588 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 4589 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 4590 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 4591 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 4592 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 4593 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 4594 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 4595 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 4596 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 4597 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 4598 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 4599 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 4600 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 4601 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 4602 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 4603 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 4604 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 4605 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 4606 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 4607 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 4608 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 4609 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 4610 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 4611 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 4612 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 4613 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 4614 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 4615 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 4616 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 4617 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 4618 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 4619 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 4620 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 4621 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 4622 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 4623 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 4624 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 4625 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 4626 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 4627 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 4628 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 4629 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 4630 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 4631 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 4632 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|2,0,0]=4 4633 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|1,0,1]=4 4634 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [1,1,0,0,0,0|2,0,0]=4 4635 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|1,0,1]=4 4636 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|1,0,1]=4 4637 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|1,0,1]=4 4638 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [1,1,0,0,0,0|2,0,0]=4 4639 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|0,0,2]=4 4640 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|0,0,2]=4 4641 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|0,0,2]=4 4642 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|0,0,1]=3 4643 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|0,0,1]=3 4644 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|0,0,1]=3 4645 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|0,0,1]=3 4646 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|2,0,0]=4 4647 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|2,0,0]=4 4648 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|2,0,0]=4 4649 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|2,0,0]=4 4650 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|2,0,0]=4 4651 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|2,0,0]=4 4652 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|2,0,0]=4 4653 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [1,1,0,0,0,0|1,0,1]=4 4654 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [1,1,0,0,0,0|1,0,1]=4 4655 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [1,1,0,0,0,0|1,0,1]=4 4656 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|0,0,2]=4 4657 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|0,0,1]=3 4658 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|0,0,1]=3 4659 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|0,0,1]=3 4660 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|0,0,1]=3 4661 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|2,0,0]=4 4662 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|2,0,0]=4 4663 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|2,0,0]=4 4664 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|2,0,0]=4 4665 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|2,0,0]=4 4666 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|2,0,0]=4 4667 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|2,0,0]=4 4668 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|2,0,0]=4 4669 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [1,1,0,0,0,0|1,0,1]=4 4670 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [1,1,0,0,0,0|1,0,1]=4 4671 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|0,0,1]=3 4672 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|0,0,1]=3 4673 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [1,1,0,0,0,0|1,0,1]=4 4674 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [1,1,0,0,0,0|1,0,1]=4 4675 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [1,1,0,0,0,0|1,0,1]=4 4676 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [1,1,0,0,0,0|1,0,1]=4 4677 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [1,1,0,0,0,0|1,0,1]=4 4678 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [1,1,0,0,0,0|1,0,1]=4 4679 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [1,1,0,0,0,0|1,0,1]=4 4680 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [1,1,0,0,0,0|1,0,1]=4 4681 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [1,1,0,0,0,0|1,0,1]=4 4682 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [1,1,0,0,0,0|1,0,1]=4 4683 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [1,1,0,0,0,0|1,0,1]=4 4684 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [1,1,0,0,0,0|1,0,1]=4 4685 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [1,1,0,0,0,0|1,0,1]=4 4686 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [1,1,0,0,0,0|1,0,1]=4 4687 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|0,0,1]=3 4688 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|0,0,1]=3 4689 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|2,0,0]=4 4690 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [1,1,0,0,0,0|1,0,1]=4 4691 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [1,1,0,0,0,0|1,0,1]=4 4692 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [1,1,0,0,0,0|1,0,1]=4 4693 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [1,1,0,0,0,0|1,0,1]=4 4694 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [1,1,0,0,0,0|1,0,1]=4 4695 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [1,1,0,0,0,0|1,0,1]=4 4696 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [1,1,0,0,0,0|1,0,1]=4 4697 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|1,0,1]=4 4698 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|1,0,1]=4 4699 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 4700 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,1,0,0,0,0|0,0,2]=4 4701 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,1,0,0,0,0|0,0,2]=4 4702 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 4703 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,1,0,0,0,0|0,0,2]=4 4704 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|1,0,0]=3 4705 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,1,0,0,0,0|2,0,0]=4 4706 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,1,0,0,0,0|2,0,0]=4 4707 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,1,0,0,0,0|2,0,0]=4 4708 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|1,0,0]=3 4709 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,1,0,0,0,0|2,0,0]=4 4710 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,1,0,0,0,0|2,0,0]=4 4711 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|1,0,0]=3 4712 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|1,0,0]=3 4713 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|1,0,0]=3 4714 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,1,0,0,0,0|2,0,0]=4 4715 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,1,0,0,0,0|2,0,0]=4 4716 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,1,0,0,0,0|2,0,0]=4 4717 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,1,0,0,0,0|2,0,0]=4 4718 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,1,0,0,0,0|2,0,0]=4 4719 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,1,0,0,0,0|2,0,0]=4 4720 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,1,0,0,0,0|2,0,0]=4 4721 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,1,0,0,0,0|2,0,0]=4 4722 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,1,0,0,0,0|2,0,0]=4 4723 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,1,0,0,0,0|2,0,0]=4 4724 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|1,0,0]=3 4725 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|1,0,0]=3 4726 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,1,0,0,0,0|2,0,0]=4 4727 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,1,0,0,0,0|2,0,0]=4 4728 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,1,0,0,0,0|2,0,0]=4 4729 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,1,0,0,0,0|2,0,0]=4 4730 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,1,0,0,0,0|2,0,0]=4 4731 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,1,0,0,0,0|2,0,0]=4 4732 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,1,0,0,0,0|2,0,0]=4 4733 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,1,0,0,0,0|2,0,0]=4 4734 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|2,0,0]=4 4735 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|2,0,0]=4 4736 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|0,0,2]=4 4737 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|0,0,2]=4 4738 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|0,0,2]=4 4739 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|0,0,2]=4 4740 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|0,0,2]=4 4741 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,1,0,0,0,0|1,0,1]=4 4742 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,1,0,0,0,0|1,0,1]=4 4743 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,1,0,0,0,0|1,0,1]=4 4744 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,1,0,0,0,0|1,0,1]=4 4745 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,1,0,0,0,0|1,0,1]=4 4746 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,1,0,0,0,0|1,0,1]=4 4747 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,1,0,0,0,0|1,0,1]=4 4748 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,1,0,0,0,0|1,0,1]=4 4749 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,1,0,0,0,0|1,0,1]=4 4750 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,1,0,0,0,0|1,0,1]=4 4751 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,1,0,0,0,0|0,0,2]=4 4752 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,1,0,0,0,0|0,0,2]=4 4753 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,1,0,0,0,0|0,0,2]=4 4754 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,1,0,0,0,0|0,0,2]=4 4755 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,1,0,0,0,0|1,0,1]=4 4756 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 4757 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,1,0,0,0,0|1,0,1]=4 4758 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,1,0,0,0,0|1,0,1]=4 4759 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,1,0,0,0,0|1,0,1]=4 4760 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,1,0,0,0,0|1,0,1]=4 4761 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,1,0,0,0,0|1,0,1]=4 4762 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,1,0,0,0,0|1,0,1]=4 4763 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,1,0,0,0,0|1,0,1]=4 4764 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,1,0,0,0,0|1,0,1]=4 4765 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,1,0,0,0,0|2,0,0]=4 4766 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|1,0,0]=3 4767 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|2,0,0]=4 4768 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|1,0,0]=3 4769 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|1,0,0]=3 4770 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,1,0,0,0,0|2,0,0]=4 4771 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,1,0,0,0,0|2,0,0]=4 4772 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,1,0,0,0,0|2,0,0]=4 4773 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,1,0,0,0,0|2,0,0]=4 4774 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,1,0,0,0,0|2,0,0]=4 4775 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|1,0,0]=3 4776 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|1,0,0]=3 4777 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,1,0,0,0,0|2,0,0]=4 4778 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,1,0,0,0,0|2,0,0]=4 4779 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,1,0,0,0,0|2,0,0]=4 4780 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,1,0,0,0,0|2,0,0]=4 4781 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,1,0,0,0,0|2,0,0]=4 4782 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,1,0,0,0,0|2,0,0]=4 4783 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|1,0,0]=3 4784 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|1,0,0]=3 4785 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,1,0,0,0,0|2,0,0]=4 4786 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,1,0,0,0,0|2,0,0]=4 4787 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,1,0,0,0,0|2,0,0]=4 4788 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,1,0,0,0,0|2,0,0]=4 4789 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,1,0,0,0,0|2,0,0]=4 4790 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,1,0,0,0,0|2,0,0]=4 4791 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,1,0,0,0,0|2,0,0]=4 4792 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,1,0,0,0,0|2,0,0]=4 4793 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|2,0,0]=4 4794 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|2,0,0]=4 4795 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|2,0,0]=4 4796 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,1,0,0,0,0|2,0,0]=4 4797 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,1,0,0,0,0|0,0,2]=4 4798 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,1,0,0,0,0|0,0,2]=4 4799 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,1,0,0,0,0|0,0,2]=4 4800 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,1,0,0,0,0|0,0,2]=4 4801 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 4802 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,1,0,0,0,0|0,0,1]=3 4803 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 4804 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,1,0,0,0,0|0,0,1]=3 4805 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 4806 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,1,0,0,0,0|0,0,2]=4 4807 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 4808 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,1,0,0,0,0|0,0,2]=4 4809 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|1,0,1]=4 4810 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|1,0,1]=4 4811 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|1,0,1]=4 4812 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|1,0,1]=4 4813 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|1,0,1]=4 4814 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 4815 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|0,0,1]=3 4816 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 4817 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 4818 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 4819 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|0,1,1]=4 4820 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|0,1,1]=4 4821 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|0,1,1]=4 4822 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|0,1,1]=4 4823 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|1,0,1]=4 4824 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|1,0,1]=4 4825 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|0,0,1]=3 4826 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|0,0,1]=3 4827 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|0,0,1]=3 4828 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|0,0,1]=3 4829 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|0,0,1]=3 4830 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|0,1,1]=4 4831 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|0,1,1]=4 4832 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|0,1,1]=4 4833 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|0,1,1]=4 4834 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|1,0,1]=4 4835 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,1,0,0,0,0|2,0,0]=4 4836 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,1,0,0,0,0|2,0,0]=4 4837 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|2,0,0]=4 4838 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|2,0,0]=4 4839 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|2,0,0]=4 4840 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|0,0,1]=3 4841 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|0,1,1]=4 4842 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|2,0,0]=4 4843 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 4844 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|1,0,1]=4 4845 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 4846 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|2,0,0]=4 4847 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|2,0,0]=4 4848 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|2,0,0]=4 4849 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|2,0,0]=4 4850 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|2,0,0]=4 4851 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|0,1,1]=4 4852 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|1,0,1]=4 4853 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|1,0,1]=4 4854 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,1,0,0,0,0|2,0,0]=4 4855 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,1,0,0,0,0|2,0,0]=4 4856 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|2,0,0]=4 4857 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|2,0,0]=4 4858 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|0,0,1]=3 4859 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|0,0,1]=3 4860 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|0,1,1]=4 4861 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|0,1,1]=4 4862 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|1,0,1]=4 4863 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|1,0,1]=4 4864 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|0,0,1]=3 4865 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|0,0,1]=3 4866 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|0,0,1]=3 4867 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|0,1,1]=4 4868 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|0,1,1]=4 4869 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|0,1,1]=4 4870 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|1,0,1]=4 4871 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|1,0,1]=4 4872 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|1,0,1]=4 4873 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|1,0,1]=4 4874 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|1,0,1]=4 4875 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|0,0,1]=3 4876 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|0,0,1]=3 4877 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|0,0,1]=3 4878 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|0,0,1]=3 4879 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|0,0,1]=3 4880 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|0,0,1]=3 4881 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,1,0,0,0,0|1,0,1]=4 4882 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|0,0,1]=3 4883 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|0,0,1]=3 4884 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|0,1,1]=4 4885 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|0,1,1]=4 4886 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|0,1,1]=4 4887 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|0,1,1]=4 4888 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|0,1,1]=4 4889 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|0,1,1]=4 4890 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|0,1,1]=4 4891 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|0,1,1]=4 4892 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,1,0,0,0,0|2,0,0]=4 4893 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,1,0,0,0,0|1,0,1]=4 4894 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,1,0,0,0,0|2,0,0]=4 4895 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,1,0,0,0,0|2,0,0]=4 4896 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|1,0,1]=4 4897 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|1,0,1]=4 4898 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|1,0,1]=4 4899 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|0,0,1]=3 4900 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|0,0,1]=3 4901 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|0,0,1]=3 4902 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|0,0,1]=3 4903 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|0,0,1]=3 4904 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|0,0,1]=3 4905 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|0,1,1]=4 4906 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|0,1,1]=4 4907 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,1,0,0,0,0|1,0,1]=4 4908 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,1,0,0,0,0|1,0,1]=4 4909 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|0,0,1]=3 4910 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|0,1,1]=4 4911 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 4912 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,1,0,0,0,0|1,0,1]=4 4913 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,1,0,0,0,0|2,0,0]=4 4914 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 4915 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 4916 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|1,0,1]=4 4917 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 4918 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|1,0,1]=4 4919 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|0,0,1]=3 4920 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|0,0,1]=3 4921 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|0,1,1]=4 4922 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|0,1,1]=4 4923 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,1,0,0,0,0|2,0,0]=4 4924 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,1,0,0,0,0|2,0,0]=4 4925 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,1,0,0,0,0|2,0,0]=4 4926 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 4927 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,1,0,0,0,0|1,0,1]=4 4928 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 4929 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,1,0,0,0,0|1,0,1]=4 4930 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,1,0,0,0,0|1,0,1]=4 4931 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,1,0,0,0,0|1,0,1]=4 4932 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,1,0,0,0,0|1,0,1]=4 4933 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,1,0,0,0,0|1,0,1]=4 4934 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,1,0,0,0,0|2,0,0]=4 4935 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,1,0,0,0,0|2,0,0]=4 4936 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,1,0,0,0,0|2,0,0]=4 4937 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,1,0,0,0,0|2,0,0]=4 4938 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,1,0,0,0,0|2,0,0]=4 4939 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|0,0,1]=3 4940 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|0,0,1]=3 4941 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,1,0,0,0,0|2,0,0]=4 4942 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 4943 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,1,0,0,0,0|1,0,1]=4 4944 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,1,0,0,0,0|1,0,1]=4 4945 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,1,0,0,0,0|1,0,1]=4 4946 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,1,0,0,0,0|1,0,1]=4 4947 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,1,0,0,0,0|1,0,1]=4 4948 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,1,0,0,0,0|2,0,0]=4 4949 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,1,0,0,0,0|2,0,0]=4 4950 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,1,0,0,0,0|2,0,0]=4 4951 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|2,0,0]=4 4952 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|2,0,0]=4 4953 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|2,0,0]=4 4954 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|0,0,1]=3 4955 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 4956 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,1,0,0,0,0|1,0,1]=4 4957 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,1,0,0,0,0|1,0,1]=4 4958 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,1,0,0,0,0|1,0,1]=4 4959 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 4960 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 4961 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 4962 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 4963 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,1]=4 4964 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 4965 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 4966 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 4967 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|1,0,1]=4 4968 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|0,0,1]=3 4969 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|0,0,1]=3 4970 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|0,1,1]=4 4971 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|0,1,1]=4 4972 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,1,0,0,0,0|1,0,1]=4 4973 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,1,0,0,0,0|1,0,1]=4 4974 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,1,0,0,0,0|1,0,1]=4 4975 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,1,0,0,0,0|1,0,1]=4 4976 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,1,0,0,0,0|1,0,1]=4 4977 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,1,0,0,0,0|1,0,1]=4 4978 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,1,0,0,0,0|1,0,1]=4 4979 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,1,0,0,0,0|1,0,1]=4 4980 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,1,0,0,0,0|1,0,1]=4 4981 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,1,0,0,0,0|1,0,1]=4 4982 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,1,0,0,0,0|1,0,1]=4 4983 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,1,0,0,0,0|1,0,1]=4 4984 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,1,0,0,0,0|1,0,1]=4 4985 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,1,0,0,0,0|1,0,1]=4 4986 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,1,0,0,0,0|2,0,0]=4 4987 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,1,0,0,0,0|2,0,0]=4 4988 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|2,0,0]=4 4989 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|2,0,0]=4 4990 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|0,0,1]=3 4991 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|0,0,1]=3 4992 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,1,0,0,0,0|1,0,1]=4 4993 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,1,0,0,0,0|1,0,1]=4 4994 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,1,0,0,0,0|1,0,1]=4 4995 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,1,0,0,0,0|1,0,1]=4 4996 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,1,0,0,0,0|1,0,1]=4 4997 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,1,0,0,0,0|1,0,1]=4 4998 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,1,0,0,0,0|1,0,1]=4 4999 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 5000 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,1]=4 5001 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 5002 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 5003 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|1,0,1]=4 5004 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 5005 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|1,0,1]=4 5006 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|1,0,1]=4 5007 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|0,0,1]=3 5008 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|0,0,1]=3 5009 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|0,0,1]=3 5010 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|0,0,1]=3 5011 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,1,0,0,0,0|1,0,1]=4 5012 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,1,0,0,0,0|1,0,1]=4 5013 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 5014 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,1,0,0,0,0|1,0,1]=4 5015 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,1,0,0,0,0|1,0,1]=4 5016 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,1,0,0,0,0|1,0,1]=4 5017 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 5018 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|0,0,1]=3 5019 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|0,0,1]=3 5020 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|0,0,1]=3 5021 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|0,0,1]=3 5022 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|0,0,1]=3 5023 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|0,0,1]=3 5024 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|0,0,1]=3 5025 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|0,0,1]=3 5026 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|0,0,1]=3 5027 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|0,0,1]=3 5028 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|0,0,1]=3 5029 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,1,0,0,0,0|1,0,1]=4 5030 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,1,0,0,0,0|1,0,1]=4 5031 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,1,0,0,0,0|1,0,1]=4 5032 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,1,0,0,0,0|1,0,1]=4 5033 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,1,0,0,0,0|1,0,1]=4 5034 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,1,0,0,0,0|1,0,1]=4 5035 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,1,0,0,0,0|1,0,1]=4 5036 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,1,0,0,0,0|1,0,1]=4 5037 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,1,0,0,0,0|1,0,1]=4 5038 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,1,0,0,0,0|1,0,1]=4 5039 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,1,0,0,0,0|1,0,1]=4 5040 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,1,0,0,0,0|1,0,1]=4 5041 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|1,0,1]=4 5042 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,1,0,0,0,0|1,0,1]=4 5043 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,1,0,0,0,0|1,0,1]=4 5044 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,1,0,0,0,0|1,0,1]=4 5045 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,1,0,0,0,0|1,0,1]=4 5046 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,1,0,0,0,0|1,0,1]=4 5047 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,1,0,0,0,0|1,0,1]=4 5048 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,1,0,0,0,0|1,0,1]=4 5049 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,1,0,0,0,0|1,0,1]=4 5050 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,1,0,0,0,0|1,0,1]=4 5051 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,1,0,0,0,0|1,0,1]=4 5052 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,1,0,0,0,0|1,0,1]=4 5053 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,1,0,0,0,0|1,0,1]=4 5054 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,1,0,0,0,0|1,0,1]=4 5055 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,1,0,0,0,0|1,0,1]=4 5056 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,1,0,0,0,0|1,0,1]=4 5057 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,1,0,0,0,0|1,0,1]=4 5058 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,1,0,0,0,0|1,0,1]=4 5059 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,1,0,0,0,0|1,0,1]=4 5060 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,1,0,0,0,0|1,0,1]=4 5061 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,1,0,0,0,0|1,0,1]=4 5062 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,1,0,0,0,0|1,0,1]=4 5063 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,1,0,0,0,0|1,0,1]=4 5064 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,1,0,0,0,0|1,0,1]=4 5065 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,1,0,0,0,0|1,0,1]=4 5066 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,1,0,0,0,0|1,0,1]=4 5067 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,1,0,0,0,0|1,0,1]=4 5068 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,1,0,0,0,0|1,0,1]=4 5069 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,1,0,0,0,0|1,0,1]=4 5070 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,1,0,0,0,0|1,0,1]=4 5071 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,1,0,0,0,0|1,0,1]=4 5072 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,1,0,0,0,0|1,0,1]=4 5073 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,1,0,0,0,0|1,0,1]=4 5074 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,1,0,0,0,0|1,0,1]=4 5075 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,1,0,0,0,0|1,0,1]=4 5076 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,1,0,0,0,0|1,0,1]=4 5077 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,1,0,0,0,0|1,0,1]=4 5078 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,1,0,0,0,0|1,0,1]=4 5079 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,1,0,0,0,0|1,0,1]=4 5080 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,1,0,0,0,0|1,0,1]=4 5081 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,1,0,0,0,0|1,0,1]=4 5082 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,1,0,0,0,0|1,0,1]=4 5083 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,1,0,0,0,0|1,0,1]=4 5084 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,1,0,0,0,0|1,0,1]=4 5085 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,1,0,0,0,0|1,0,1]=4 5086 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,1,0,0,0,0|1,0,1]=4 5087 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,1,0,0,0,0|1,0,1]=4 5088 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,1,0,0,0,0|1,0,1]=4 5089 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,1,0,0,0,0|1,0,1]=4 5090 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,1,0,0,0,0|1,0,1]=4 5091 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,1,0,0,0,0|1,0,1]=4 5092 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|0,1,1]=4 5093 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|0,1,1]=4 5094 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|0,1,1]=4 5095 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|0,1,1]=4 5096 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,1,0,0,0,0|1,0,1]=4 5097 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,1,0,0,0,0|1,0,1]=4 5098 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,1,0,0,0,0|1,0,1]=4 5099 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,1,0,0,0,0|1,0,1]=4 5100 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,1,0,0,0,0|1,0,1]=4 5101 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,1,0,0,0,0|1,0,1]=4 5102 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,1,0,0,0,0|1,0,1]=4 5103 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,1,0,0,0,0|1,0,1]=4 5104 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,1,0,0,0,0|1,0,1]=4 5105 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 5106 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 5107 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|0,0,1]=3 5108 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|0,0,1]=3 5109 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|0,0,1]=3 5110 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|0,0,1]=3 5111 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|0,0,1]=3 5112 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|0,0,1]=3 5113 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|0,0,1]=3 5114 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|0,1,1]=4 5115 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|0,1,1]=4 5116 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|0,1,1]=4 5117 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|0,1,1]=4 5118 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|2,0,0]=4 5119 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|2,0,0]=4 5120 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,1,0,0,0,0|2,0,0]=4 5121 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|2,0,0]=4 5122 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|2,0,0]=4 5123 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|2,0,0]=4 5124 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|2,0,0]=4 5125 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|2,0,0]=4 5126 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|2,0,0]=4 5127 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|2,0,0]=4 5128 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|2,0,0]=4 5129 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|2,0,0]=4 5130 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|2,0,0]=4 5131 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|2,0,0]=4 5132 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|2,0,0]=4 5133 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|2,0,0]=4 5134 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|2,0,0]=4 5135 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 5136 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 5137 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|0,1,1]=4 5138 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|0,1,1]=4 5139 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 5140 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 5141 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 5142 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 5143 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 5144 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 5145 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|2,0,0]=4 5146 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|2,0,0]=4 5147 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,1,0,0,0,0|2,0,0]=4 5148 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,1,0,0,0,0|2,0,0]=4 5149 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|2,0,0]=4 5150 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|2,0,0]=4 5151 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|2,0,0]=4 5152 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|2,0,0]=4 5153 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|2,0,0]=4 5154 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|2,0,0]=4 5155 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|2,0,0]=4 5156 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|2,0,0]=4 5157 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|2,0,0]=4 5158 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|2,0,0]=4 5159 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|2,0,0]=4 5160 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 5161 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 5162 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,1]=4 5163 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,1]=4 5164 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,1]=4 5165 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 5166 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 5167 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 5168 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 5169 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 5170 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 5171 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|2,0,0]=4 5172 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|2,0,0]=4 5173 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|2,0,0]=4 5174 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|2,0,0]=4 5175 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|2,0,0]=4 5176 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|2,0,0]=4 5177 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|2,0,0]=4 5178 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|2,0,0]=4 5179 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|2,0,0]=4 5180 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|2,0,0]=4 5181 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|2,0,0]=4 5182 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|2,0,0]=4 5183 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|2,0,0]=4 5184 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|2,0,0]=4 5185 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|2,0,0]=4 5186 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|2,0,0]=4 5187 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|2,0,0]=4 5188 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|2,0,0]=4 5189 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|2,0,0]=4 5190 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|2,0,0]=4 5191 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|2,0,0]=4 5192 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|2,0,0]=4 5193 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|2,0,0]=4 5194 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|2,0,0]=4 5195 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|2,0,0]=4 5196 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|2,0,0]=4 5197 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|2,0,0]=4 5198 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|2,0,0]=4 5199 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|2,0,0]=4 5200 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|2,0,0]=4 5201 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|2,0,0]=4 5202 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|2,0,0]=4 5203 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|2,0,0]=4 5204 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 5205 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 5206 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 5207 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|0,0,2]=4 5208 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|0,0,2]=4 5209 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 5210 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|0,0,1]=3 5211 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 5212 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 5213 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 5214 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 5215 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 5216 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 5217 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|1,0,1]=4 5218 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|1,0,1]=4 5219 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|1,0,1]=4 5220 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|1,0,1]=4 5221 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|1,0,1]=4 5222 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|1,0,1]=4 5223 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 5224 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|1,0,1]=4 5225 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 5226 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 5227 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|1,0,1]=4 5228 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|1,0,1]=4 5229 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|1,0,1]=4 5230 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|1,0,1]=4 5231 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [1,1,0,0,0,0|1,0,1]=4 5232 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|1,0,1]=4 5233 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|1,0,1]=4 5234 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 5235 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 5236 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [1,1,0,0,0,0|1,0,1]=4 5237 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|1,0,1]=4 5238 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [1,1,0,0,0,0|1,0,1]=4 5239 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [1,1,0,0,0,0|1,0,1]=4 5240 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|1,0,1]=4 5241 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 5242 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|1,0,1]=4 5243 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|1,0,1]=4 5244 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 5245 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|1,0,1]=4 5246 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|1,0,1]=4 5247 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|1,0,1]=4 5248 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|1,0,1]=4 5249 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,1,0,0,0,0|1,0,1]=4 5250 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|1,0,1]=4 5251 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|1,0,1]=4 5252 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,1,0,0,0,0|1,0,1]=4 5253 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,1,0,0,0,0|1,0,1]=4 5254 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|0,1,1]=4 5255 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|0,1,1]=4 5256 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|1,0,1]=4 5257 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|1,0,1]=4 5258 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|1,0,1]=4 5259 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|1,0,1]=4 5260 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|1,0,1]=4 5261 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|1,0,1]=4 5262 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|1,0,1]=4 5263 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|1,0,1]=4 5264 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|2,0,0]=4 5265 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|2,0,0]=4 5266 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|2,0,0]=4 5267 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|2,0,0]=4 5268 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,1]=4 5269 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|1,0,0]=3 5270 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|1,0,0]=3 5271 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|2,0,0]=4 5272 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|2,0,0]=4 5273 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,0]=3 5274 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 5275 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 5276 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 5277 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [1,1,0,0,0,0|1,0,1]=4 5278 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [1,1,0,0,0,0|1,0,1]=4 5279 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [1,1,0,0,0,0|1,0,1]=4 5280 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [1,1,0,0,0,0|1,0,1]=4 5281 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 5282 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 5283 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 5284 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|2,0,0]=4 5285 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 5286 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 5287 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|1,0,0]=3 5288 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|2,0,0]=4 5289 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,0]=3 5290 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|1,0,1]=4 5291 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|1,0,1]=4 5292 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|1,0,1]=4 5293 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|2,0,0]=4 5294 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|2,0,0]=4 5295 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|1,0,0]=3 5296 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [1,1,0,0,0,0|2,0,0]=4 5297 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 5298 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 5299 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|2,0,0]=4 5300 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,1,0,0,0,0|2,0,0]=4 5301 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 5302 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 5303 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,1,0,0,0,0|2,0,0]=4 5304 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 5305 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|1,0,0]=3 5306 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|1,0,0]=3 5307 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [1,1,0,0,0,0|2,0,0]=4 5308 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|2,0,0]=4 5309 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|2,0,0]=4 5310 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|2,0,0]=4 5311 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,1,0,0,0,0|2,0,0]=4 5312 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 5313 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 5314 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 5315 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,1,0,0,0,0|2,0,0]=4 5316 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,1,0,0,0,0|2,0,0]=4 5317 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|1,0,0]=3 5318 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|1,0,0]=3 5319 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [1,1,0,0,0,0|2,0,0]=4 5320 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [1,1,0,0,0,0|2,0,0]=4 5321 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 5322 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 5323 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|2,0,0]=4 5324 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 5325 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 5326 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 5327 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|2,0,0]=4 5328 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 5329 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 5330 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 5331 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|1,0,1]=4 5332 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 5333 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 5334 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|1,0,0]=3 5335 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|1,0,1]=4 5336 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|1,0,1]=4 5337 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|1,0,1]=4 5338 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|1,0,1]=4 5339 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|1,0,0]=3 5340 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|1,0,0]=3 5341 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|1,0,0]=3 5342 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|1,0,0]=3 5343 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|1,0,0]=3 5344 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|1,0,0]=3 5345 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [1,1,0,0,0,0|2,0,0]=4 5346 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [1,1,0,0,0,0|2,0,0]=4 5347 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [1,1,0,0,0,0|2,0,0]=4 5348 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|1,0,0]=3 5349 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|1,0,0]=3 5350 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|1,0,1]=4 5351 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|1,0,0]=3 5352 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|1,0,0]=3 5353 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|1,0,0]=3 5354 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|1,0,0]=3 5355 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|1,0,0]=3 5356 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|1,0,0]=3 5357 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|2,0,0]=4 5358 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|2,0,0]=4 5359 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|2,0,0]=4 5360 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|2,0,0]=4 5361 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 5362 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|2,0,0]=4 5363 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|2,0,0]=4 5364 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|2,0,0]=4 5365 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|2,0,0]=4 5366 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|2,0,0]=4 5367 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|1,0,0]=3 5368 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|1,0,0]=3 5369 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,0]=3 5370 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|2,0,0]=4 5371 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 5372 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 5373 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 5374 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 5375 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,0]=3 5376 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,0]=3 5377 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|2,0,0]=4 5378 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|2,0,0]=4 5379 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 5380 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 5381 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 5382 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|2,0,0]=4 5383 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 5384 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 5385 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 5386 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|2,0,0]=4 5387 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 5388 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|2,0,0]=4 5389 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 5390 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|2,0,0]=4 5391 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|2,0,0]=4 5392 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [1,1,0,0,0,0|2,0,0]=4 5393 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [1,1,0,0,0,0|2,0,0]=4 5394 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|2,0,0]=4 5395 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|2,0,0]=4 5396 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|2,0,0]=4 5397 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 5398 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 5399 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 5400 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [1,1,0,0,0,0|2,0,0]=4 5401 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 5402 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|2,0,0]=4 5403 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|2,0,0]=4 5404 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|2,0,0]=4 5405 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|2,0,0]=4 5406 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|2,0,0]=4 5407 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 5408 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 5409 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 5410 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 5411 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,1,0,0,0,0|2,0,0]=4 5412 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,1,0,0,0,0|2,0,0]=4 5413 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,1,0,0,0,0|2,0,0]=4 5414 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,1,0,0,0,0|2,0,0]=4 5415 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,1,0,0,0,0|2,0,0]=4 5416 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,1,0,0,0,0|2,0,0]=4 5417 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,1,0,0,0,0|2,0,0]=4 5418 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 5419 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 5420 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|2,0,0]=4 5421 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|2,0,0]=4 5422 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|2,0,0]=4 5423 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 5424 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 5425 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 5426 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,1,0,0,0,0|2,0,0]=4 5427 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 5428 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|2,0,0]=4 5429 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|2,0,0]=4 5430 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|2,0,0]=4 5431 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|2,0,0]=4 5432 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|2,0,0]=4 5433 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 5434 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 5435 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 5436 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 5437 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,1,0,0,0,0|2,0,0]=4 5438 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,1,0,0,0,0|2,0,0]=4 5439 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|2,0,0]=4 5440 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|2,0,0]=4 5441 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|2,0,0]=4 5442 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|2,0,0]=4 5443 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|2,0,0]=4 5444 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|2,0,0]=4 5445 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|1,0,1]=4 5446 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|1,0,1]=4 5447 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|1,0,1]=4 5448 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|1,0,1]=4 5449 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|1,0,1]=4 5450 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 5451 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 5452 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 5453 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|1,0,1]=4 5454 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|1,0,1]=4 5455 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|2,0,0]=4 5456 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|2,0,0]=4 5457 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|1,0,1]=4 5458 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|1,0,1]=4 5459 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|2,0,0]=4 5460 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,0]=3 5461 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,0]=3 5462 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|1,0,0]=3 5463 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|2,0,0]=4 5464 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|2,0,0]=4 5465 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|2,0,0]=4 5466 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|2,0,0]=4 5467 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|2,0,0]=4 5468 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|2,0,0]=4 5469 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 5470 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 5471 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 5472 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|2,0,0]=4 5473 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 5474 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 5475 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|2,0,0]=4 5476 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 5477 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 5478 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,0]=3 5479 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 5480 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 5481 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 5482 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,0]=3 5483 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 5484 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 5485 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 5486 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 5487 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 5488 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 5489 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 5490 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 5491 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 5492 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|2,0,0]=4 5493 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 5494 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 5495 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,1,0,0,0,0|2,0,0]=4 5496 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 5497 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 5498 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,1,0,0,0,0|2,0,0]=4 5499 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 5500 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 5501 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,1,0,0,0,0|2,0,0]=4 5502 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,1,0,0,0,0|2,0,0]=4 5503 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 5504 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,1,0,0,0,0|2,0,0]=4 5505 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 5506 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 5507 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 5508 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,1,0,0,0,0|2,0,0]=4 5509 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,1,0,0,0,0|2,0,0]=4 5510 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 5511 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 5512 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 5513 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 5514 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 5515 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 5516 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 5517 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 5518 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 5519 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 5520 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 5521 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|0,0,1]=3 5522 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|0,0,1]=3 5523 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 5524 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|1,0,0]=3 5525 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|1,0,0]=3 5526 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|1,0,0]=3 5527 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,1,0,0,0,0|1,0,1]=4 5528 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|1,0,0]=3 5529 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|1,0,0]=3 5530 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|1,0,0]=3 5531 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|1,0,0]=3 5532 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|1,0,0]=3 5533 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,1,0,0,0,0|1,0,1]=4 5534 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,1,0,0,0,0|1,0,1]=4 5535 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|1,0,1]=4 5536 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|1,0,1]=4 5537 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|1,0,1]=4 5538 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [1,1,0,0,0,0|1,0,1]=4 5539 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [1,1,0,0,0,0|1,0,1]=4 5540 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [1,1,0,0,0,0|1,0,1]=4 5541 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [1,1,0,0,0,0|1,0,1]=4 5542 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,1,0,0,0,0|1,0,1]=4 5543 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,1,0,0,0,0|1,0,1]=4 5544 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,1,0,0,0,0|1,0,1]=4 5545 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,1,0,0,0,0|1,0,1]=4 5546 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 5547 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,1,0,0,0,0|1,0,1]=4 5548 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,1,0,0,0,0|1,0,1]=4 5549 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 5550 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,1,0,0,0,0|1,0,1]=4 5551 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|1,0,1]=4 5552 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|1,0,1]=4 5553 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|1,0,1]=4 5554 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|1,0,1]=4 5555 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|1,0,1]=4 5556 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|1,0,1]=4 5557 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|1,0,1]=4 5558 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 5559 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,1]=3 5560 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,1]=3 5561 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,0]=3 5562 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,0]=3 5563 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|1,0,0]=3 5564 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|1,0,0]=3 5565 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 5566 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 5567 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,0]=3 5568 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|2,0,0]=4 5569 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 5570 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 5571 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 5572 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|2,0,0]=4 5573 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|2,0,0]=4 5574 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|2,0,0]=4 5575 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 5576 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 5577 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 5578 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 5579 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 5580 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 5581 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 5582 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 5583 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 5584 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 5585 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|2,0,0]=4 5586 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|2,0,0]=4 5587 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 5588 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 5589 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 5590 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 5591 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 5592 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 5593 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 5594 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|1,0,0]=3 5595 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 5596 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|1,0,0]=3 5597 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|2,0,0]=4 5598 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|1,0,1]=4 5599 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 5600 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,0]=3 5601 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,0]=3 5602 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|1,0,1]=4 5603 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|1,0,1]=4 5604 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|1,0,0]=3 5605 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|1,0,0]=3 5606 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|1,0,0]=3 5607 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|1,0,0]=3 5608 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|1,0,0]=3 5609 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [1,1,0,0,0,0|1,0,1]=4 5610 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [1,1,0,0,0,0|1,0,1]=4 5611 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 5612 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 5613 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [1,1,0,0,0,0|2,0,0]=4 5614 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,1,0,0,0,0|1,0,1]=4 5615 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 5616 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 5617 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [1,1,0,0,0,0|2,0,0]=4 5618 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [1,1,0,0,0,0|2,0,0]=4 5619 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|0,0,1]=3 5620 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|0,0,1]=3 5621 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 5622 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 5623 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|0,0,2]=4 5624 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|0,0,2]=4 5625 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,1]=3 5626 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 5627 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 5628 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 5629 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,0]=2 5630 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,0]=2 5631 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,0]=2 5632 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 5633 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,1,0,0,0,0|2,0,0]=4 5634 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,1,0,0,0,0|2,0,0]=4 5635 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 5636 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 5637 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 5638 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,0]=3 5639 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 5640 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 5641 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 5642 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 5643 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 5644 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,0]=3 5645 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,0]=3 5646 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [1,1,0,0,0,0|1,0,1]=4 5647 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [1,1,0,0,0,0|1,0,1]=4 5648 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [1,1,0,0,0,0|1,0,1]=4 5649 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [1,1,0,0,0,0|1,0,1]=4 5650 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,0]=3 5651 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,0]=3 5652 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|2,0,0]=4 5653 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|2,0,0]=4 5654 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 5655 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 5656 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 5657 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 5658 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 5659 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 5660 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 5661 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 5662 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 5663 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 5664 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 5665 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 5666 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [1,1,0,0,0,0|2,0,0]=4 5667 B8R0.21 CCNCCS(=O)(=O)C 2230a_100000740961_100000210202 [1,1,0,0,0,0|2,0,0]=4 5668 B8R0.21 CCNCCS(=O)(=O)C 2230a_100015525214_100000731031 [1,1,0,0,0,0|2,0,0]=4 5669 B8R0.21 CCNCCS(=O)(=O)C 34a_100000740961_100000210202 [1,1,0,0,0,0|2,0,0]=4 5670 B8R0.21 CCOCCS(=O)(=O)C 34a_100000211924_100000210202 [1,1,0,0,0,0|2,0,0]=4 5671 B8R0.21 CCOCCS(=O)(=O)C 34a_100121572206_100000731031 [1,1,0,0,0,0|2,0,0]=4 5672 B8R0.21 CCOCCS(=O)(=O)C 7a_100000211924_100000210202 [1,1,0,0,0,0|2,0,0]=4 5673 B8R0.21 CCSCCS(=O)(=O)C 62a_100000210202_100000230027 [1,1,0,0,0,0|2,0,0]=4 5674 B8R0.21 CCSCCS(=O)(=O)C 62a_100000731031_100000210202 [1,1,0,0,0,0|2,0,0]=4 5675 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 5676 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 5677 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [1,1,0,0,0,0|2,0,0]=4 5678 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [1,1,0,0,0,0|2,0,0]=4 5679 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [1,1,0,0,0,0|2,0,0]=4 5680 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [1,1,0,0,0,0|2,0,0]=4 5681 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [1,1,0,0,0,0|2,0,0]=4 5682 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [1,1,0,0,0,0|2,0,0]=4 5683 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 5684 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [1,1,0,0,0,0|2,0,0]=4 5685 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [1,1,0,0,0,0|2,0,0]=4 5686 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [1,1,0,0,0,0|2,0,0]=4 5687 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [1,1,0,0,0,0|2,0,0]=4 5688 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [1,1,0,0,0,0|2,0,0]=4 5689 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [1,1,0,0,0,0|2,0,0]=4 5690 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [1,1,0,0,0,0|2,0,0]=4 5691 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 5692 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,1,0,0,0,0|2,0,0]=4 5693 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,1,0,0,0,0|2,0,0]=4 5694 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,1,0,0,0,0|2,0,0]=4 5695 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,1,0,0,0,0|2,0,0]=4 5696 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,1,0,0,0,0|2,0,0]=4 5697 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|1,0,1]=4 5698 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 5699 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,1,0,0,0,0|2,0,0]=4 5700 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 5701 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [1,1,0,0,0,0|2,0,0]=4 5702 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,1,0,0,0,0|1,0,1]=4 5703 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [1,1,0,0,0,0|2,0,0]=4 5704 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,1,0,0,0,0|2,0,0]=4 5705 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,1,0,0,0,0|2,0,0]=4 5706 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [1,1,0,0,0,0|2,0,0]=4 5707 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [1,1,0,0,0,0|2,0,0]=4 5708 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [1,1,0,0,0,0|2,0,0]=4 5709 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [1,1,0,0,0,0|2,0,0]=4 5710 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [1,1,0,0,0,0|2,0,0]=4 5711 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,1,0,0,0,0|2,0,0]=4 5712 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,1,0,0,0,0|2,0,0]=4 5713 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [1,1,0,0,0,0|2,0,0]=4 5714 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [1,1,0,0,0,0|2,0,0]=4 5715 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [1,1,0,0,0,0|2,0,0]=4 5716 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [1,1,0,0,0,0|2,0,0]=4 5717 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|0,0,2]=4 5718 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|0,0,2]=4 5719 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|0,0,1]=3 5720 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 5721 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,0]=2 5722 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,0]=2 5723 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,0]=2 5724 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,0]=3 5725 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,0]=3 5726 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,1,0,0,0,0|2,0,0]=4 5727 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|1,0,1]=4 5728 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|1,0,1]=4 5729 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|1,0,1]=4 5730 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|1,0,0]=3 5731 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|1,0,0]=3 5732 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|1,0,0]=3 5733 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|1,0,1]=4 5734 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|1,0,0]=3 5735 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|1,0,0]=3 5736 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|1,0,0]=3 5737 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|1,0,0]=3 5738 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|1,0,0]=3 5739 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,0]=3 5740 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [1,1,0,0,0,0|2,0,0]=4 5741 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,0]=3 5742 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|1,0,1]=4 5743 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 5744 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 5745 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 5746 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,0]=3 5747 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,0]=3 5748 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,0]=3 5749 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 5750 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,1,0,0,0,0|2,0,0]=4 5751 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 5752 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,1,0,0,0,0|2,0,0]=4 5753 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,1,0,0,0,0|2,0,0]=4 5754 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,1,0,0,0,0|2,0,0]=4 5755 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|2,0,0]=4 5756 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,1,0,0,0,0|2,0,0]=4 5757 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|2,0,0]=4 5758 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,1,0,0,0,0|2,0,0]=4 5759 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,1,0,0,0,0|2,0,0]=4 5760 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|1,0,1]=4 5761 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 5762 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|1,0,1]=4 5763 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|0,0,2]=4 5764 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,0]=2 5765 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 5766 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,1,0,0,0,0|2,0,0]=4 5767 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 5768 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 5769 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 5770 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|1,0,0]=3 5771 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|1,0,1]=4 5772 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 5773 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|1,0,0]=3 5774 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|1,0,1]=4 5775 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 5776 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 5777 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|1,0,1]=4 5778 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|1,0,1]=4 5779 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 5780 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 5781 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,1,0,0,0,0|2,0,0]=4 5782 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 5783 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 5784 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 5785 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 5786 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 5787 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 5788 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|1,0,1]=4 5789 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,1,0,0,0,0|2,0,0]=4 5790 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,1,0,0,0,0|2,0,0]=4 5791 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 5792 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 5793 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 5794 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,0]=3 5795 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 5796 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 5797 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 5798 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|1,0,1]=4 5799 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|1,0,1]=4 5800 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 5801 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,0]=3 5802 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,0]=3 5803 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 5804 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|1,0,1]=4 5805 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 5806 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|1,0,1]=4 5807 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 5808 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,0]=3 5809 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 5810 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 5811 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|1,0,1]=4 5812 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|1,0,1]=4 5813 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,1,0,0,0,0|2,0,0]=4 5814 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,1,0,0,0,0|2,0,0]=4 5815 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,2,0,0,0,0|1,0,1]=4 5816 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,2,0,0,0,0|1,0,1]=4 5817 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,2,0,0,0,0|1,0,1]=4 5818 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,2,0,0,0,0|1,0,1]=4 5819 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,2,0,0,0,0|1,0,1]=4 5820 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,2,0,0,0,0|1,0,1]=4 5821 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|1,0,1]=4 5822 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|1,0,1]=4 5823 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|1,0,1]=4 5824 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,2,0,0,0,0|1,0,1]=4 5825 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,2,0,0,0,0|1,0,1]=4 5826 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,2,0,0,0,0|1,0,1]=4 5827 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [0,2,0,0,0,0|1,0,1]=4 5829 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,2,0,0,0,0|1,0,1]=4 5830 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [0,2,0,0,0,0|1,0,1]=4 5831 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [0,2,0,0,0,0|1,0,1]=4 5832 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [0,2,0,0,0,0|1,0,1]=4 5833 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,2,0,0,0,0|1,0,1]=4 5834 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,2,0,0,0,0|1,0,1]=4 5835 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,2,0,0,0,0|1,0,1]=4 5836 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,2,0,0,0,0|1,0,1]=4 5837 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,2,0,0,0,0|1,0,1]=4 5838 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,2,0,0,0,0|1,0,1]=4 5839 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,2,0,0,0,0|1,0,1]=4 5840 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,2,0,0,0,0|1,0,0]=3 5841 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|1,0,0]=3 5842 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,2,0,0,0,0|2,0,0]=4 5843 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,2,0,0,0,0|2,0,0]=4 5845 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|1,0,1]=4 5846 B10R0.3 CC(Br)COCC(=O)NCO 34a_100012180447_100000185155 [0,2,0,0,0,0|2,0,0]=4 5847 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|1,0,1]=4 5848 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|1,0,1]=4 5849 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|1,0,1]=4 5850 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,2,0,0,0,0|1,0,1]=4 5851 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,2,0,0,0,0|1,0,1]=4 5852 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|1,0,0]=3 5853 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|1,0,0]=3 5854 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|1,0,0]=3 5855 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,2,0,0,0,0|1,0,1]=4 5856 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,2,0,0,0,0|1,0,1]=4 5857 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,2,0,0,0,0|2,0,0]=4 5862 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,2,0,0,0,0|2,0,0]=4 5863 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,2,0,0,0,0|2,0,0]=4 5864 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,2,0,0,0,0|2,0,0]=4 5866 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|2,0,0]=4 5867 B10R0.3 CC(F)COCC(=O)NCO 34a_100015925927_100000185155 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,2,0,0,0,0|1,0,1]=4 5869 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,2,0,0,0,0|1,0,1]=4 5870 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,2,0,0,0,0|1,0,1]=4 5871 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,2,0,0,0,0|1,0,1]=4 5872 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|1,0,0]=3 5873 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|2,0,0]=4 5874 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 5875 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.3 CC(O)CSCC(=O)NCO 62a_100000185155_100011218427 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.3 CC(O)CSCC(=O)NCO 62a_100011218427_100000185155 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,2,0,0,0,0|1,0,1]=4 5879 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|1,0,0]=3 5880 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|1,0,0]=3 5881 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,2,0,0,0,0|2,0,0]=4 5882 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,2,0,0,0,0|2,0,0]=4 5883 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,2,0,0,0,0|2,0,0]=4 5884 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,2,0,0,0,0|2,0,0]=4 5885 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,2,0,0,0,0|2,0,0]=4 5886 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,2,0,0,0,0|2,0,0]=4 5887 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,2,0,0,0,0|2,0,0]=4 5888 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|1,0,1]=4 5889 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,0]=3 5890 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,0]=3 5891 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|1,0,0]=3 5892 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|2,0,0]=4 5893 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|2,0,0]=4 5895 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|2,0,0]=4 5896 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,2,0,0,0,0|2,0,0]=4 5897 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|2,0,0]=4 5898 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|2,0,0]=4 5900 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,2,0,0,0,0|2,0,0]=4 5901 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,2,0,0,0,0|2,0,0]=4 5902 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,2,0,0,0,0|2,0,0]=4 5903 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,2,0,0,0,0|2,0,0]=4 5904 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5905 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5906 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5907 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5908 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 5909 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 5910 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|1,0,1]=4 5911 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|1,0,1]=4 5912 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 5913 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 5914 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 5915 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|1,0,0]=3 5916 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 5917 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 5918 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,2,0,0,0,0|2,0,0]=4 5919 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,2,0,0,0,0|2,0,0]=4 5925 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 5926 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 5927 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,2,0,0,0,0|2,0,0]=4 5928 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,2,0,0,0,0|2,0,0]=4 5929 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,2,0,0,0,0|2,0,0]=4 5930 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,2,0,0,0,0|2,0,0]=4 5931 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 5932 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 5933 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,2,0,0,0,0|2,0,0]=4 5934 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 5935 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,2,0,0,0,0|2,0,0]=4 5938 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,2,0,0,0,0|2,0,0]=4 5939 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,2,0,0,0,0|2,0,0]=4 5940 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,2,0,0,0,0|2,0,0]=4 5941 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,2,0,0,0,0|2,0,0]=4 5942 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 5945 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 5946 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 5947 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 5948 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 5950 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 5952 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|0,0,1]=3 5955 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|0,0,1]=3 5956 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|0,0,1]=3 5957 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 5958 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 5959 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,2,0,0,0,0|1,0,1]=4 5960 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|1,0,0]=3 5961 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|1,0,0]=3 5962 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|1,0,0]=3 5963 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|1,0,0]=3 5964 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|1,0,0]=3 5965 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 5966 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 5967 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|1,0,0]=3 5968 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|1,0,0]=3 5969 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,2,0,0,0,0|2,0,0]=4 5970 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,2,0,0,0,0|1,0,1]=4 5971 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|1,0,0]=3 5972 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|1,0,0]=3 5973 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|1,0,0]=3 5974 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|1,0,0]=3 5976 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|1,0,0]=3 5977 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|1,0,0]=3 5978 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|1,0,0]=3 5979 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|1,0,0]=3 5980 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|1,0,0]=3 5981 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,2,0,0,0,0|2,0,0]=4 5983 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|1,0,0]=3 5984 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|1,0,0]=3 5985 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,2,0,0,0,0|1,0,1]=4 5986 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|2,0,0]=4 5987 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,2,0,0,0,0|2,0,0]=4 5988 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 5989 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 5990 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|2,0,0]=4 5991 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,2,0,0,0,0|1,0,0]=3 5992 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|1,0,0]=3 5993 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,2,0,0,0,0|2,0,0]=4 5994 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,2,0,0,0,0|2,0,0]=4 5995 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 5996 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 5997 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,2,0,0,0,0|2,0,0]=4 5998 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 6001 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|0,0,2]=4 6002 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|0,0,1]=3 6003 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,2,0,0,0,0|1,0,1]=4 6004 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|0,0,0]=2 6005 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|0,0,0]=2 6006 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,2,0,0,0,0|1,0,0]=3 6007 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,2,0,0,0,0|1,0,1]=4 6008 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|1,0,1]=4 6009 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,2,0,0,0,0|1,0,0]=3 6010 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|1,0,0]=3 6011 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 6012 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 6013 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 6014 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 6015 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|1,0,0]=3 6016 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|1,0,0]=3 6017 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 6018 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 6019 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,2,0,0,0,0|2,0,0]=4 6020 B10R0.3 COCC(=O)NNCC(C)O 22a_200000730056_100000210968 [0,2,0,0,0,0|2,0,0]=4 6021 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|0,1,1]=4 6022 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|0,1,0]=3 6023 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|0,1,0]=3 6024 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,2,0,0,0,0|1,1,0]=4 6025 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,2,0,0,0,0|1,1,0]=4 6026 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,2,0,0,0,0|1,1,0]=4 6027 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 6028 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 6029 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 6030 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 6031 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,2,0,0,0,0|1,1,0]=4 6032 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,2,0,0,0,0|1,1,0]=4 6033 B10R0.3 C[C@@H](Cl)COCC(=O)NCO 34a_100016084084_100000185155 [0,2,0,0,0,0|2,0,0]=4 6034 B10R0.3 C[C@@H](N)COCC(=O)NCO 34a_100000737577_100000185155 [0,2,0,0,0,0|2,0,0]=4 6035 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100000185155_100009817552 [0,2,0,0,0,0|2,0,0]=4 6036 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100009817552_100000185155 [0,2,0,0,0,0|2,0,0]=4 6037 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,2,0,0,0,0|0,0,2]=4 6038 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000198492_100000748629 [0,2,0,0,0,0|1,0,1]=4 6039 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000225649_100000747449 [0,2,0,0,0,0|1,0,1]=4 6040 B10R0.44 C=C(C)CN(C)CC(=O)OC 269982a_100000225649_100000747449 [0,2,0,0,0,0|1,0,1]=4 6041 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|1,0,1]=4 6042 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|1,0,1]=4 6043 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [0,2,0,0,0,0|2,0,0]=4 6044 B10R0.44 CCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747405 [0,2,0,0,0,0|2,0,0]=4 6045 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 6046 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 6048 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 6049 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,2,0,0,0,0|1,0,1]=4 6050 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [0,2,0,0,0,0|1,0,1]=4 6051 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000189611_100000210760 [0,2,0,0,0,0|2,0,0]=4 6052 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 6053 B10R0.44 CNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 6054 B10R0.44 CNC(=O)CN(C)CC(C)C 270004a_100000189611_100000210432 [0,2,0,0,0,0|2,0,0]=4 6055 B10R0.44 CNC(=O)CN(C)CC(C)O 2230a_100000189611_100011218427 [0,2,0,0,0,0|2,0,0]=4 6056 B10R0.44 CNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183359 [0,2,0,0,0,0|2,0,0]=4 6057 B10R0.44 CNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183359 [0,2,0,0,0,0|2,0,0]=4 6058 B10R0.44 CNC(=O)CN(C)C[C@@H](C)O 2230a_100000189611_100009817552 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [0,2,0,0,0,0|2,0,0]=4 6061 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [0,2,0,0,0,0|2,0,0]=4 6062 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [0,2,0,0,0,0|2,0,0]=4 6063 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [0,2,0,0,0,0|2,0,0]=4 6064 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|0,0,1]=3 6065 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|0,0,1]=3 6066 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|0,0,1]=3 6067 B10R0.44 COC(=O)CC(=O)CC(F)F 1458a_100000211351_100011934356 [0,2,0,0,0,0|1,0,1]=4 6068 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,2,0,0,0,0|1,0,1]=4 6069 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|0,0,1]=3 6070 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,2,0,0,0,0|1,0,1]=4 6071 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,2,0,0,0,0|1,0,1]=4 6072 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,2,0,0,0,0|0,0,1]=3 6073 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,2,0,0,0,0|0,0,1]=3 6074 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,2,0,0,0,0|1,0,0]=3 6075 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,2,0,0,0,0|1,0,0]=3 6076 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,2,0,0,0,0|1,0,0]=3 6077 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,2,0,0,0,0|1,0,0]=3 6078 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,2,0,0,0,0|1,0,0]=3 6079 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,2,0,0,0,0|1,0,0]=3 6080 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,2,0,0,0,0|1,0,0]=3 6081 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,2,0,0,0,0|1,0,0]=3 6082 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,2,0,0,0,0|1,0,0]=3 6083 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,2,0,0,0,0|1,0,0]=3 6084 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,2,0,0,0,0|1,0,0]=3 6085 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,2,0,0,0,0|1,0,0]=3 6086 B10R0.44 COC(=O)CN(C)CC(F)F 2230a_100000198492_100011934356 [0,2,0,0,0,0|2,0,0]=4 6087 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,2,0,0,0,0|1,0,0]=3 6088 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,2,0,0,0,0|1,0,1]=4 6089 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,2,0,0,0,0|1,0,1]=4 6090 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100000210245_100000211248 [0,2,0,0,0,0|1,0,1]=4 6091 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100011215400_100000748629 [0,2,0,0,0,0|1,0,1]=4 6092 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000211248_100000211660 [0,2,0,0,0,0|1,0,1]=4 6093 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000748629_100000211248 [0,2,0,0,0,0|1,0,1]=4 6094 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,2,0,0,0,0|1,0,1]=4 6095 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,2,0,0,0,0|1,0,1]=4 6096 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,2,0,0,0,0|1,0,1]=4 6097 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,2,0,0,0,0|1,0,1]=4 6098 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|1,0,1]=4 6099 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|2,0,0]=4 6100 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|1,0,0]=3 6101 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [0,2,0,0,0,0|2,0,0]=4 6102 B10R0.57 CCC(=O)C(C)NCC(C)O 2230a_100000210904_100000742827 [0,2,0,0,0,0|2,0,0]=4 6103 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [0,2,0,0,0,0|2,0,0]=4 6104 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [0,2,0,0,0,0|2,0,0]=4 6105 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100000742827_100011218427 [0,2,0,0,0,0|2,0,0]=4 6106 B10R0.57 CCC(=O)C(C)SCC(C)O 62a_100011218427_100000742827 [0,2,0,0,0,0|2,0,0]=4 6107 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100000742827_100009817552 [0,2,0,0,0,0|2,0,0]=4 6108 B10R0.57 CCC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000742827 [0,2,0,0,0,0|2,0,0]=4 6109 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 6110 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 6111 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 6112 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 6113 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|1,0,1]=4 6114 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|1,0,1]=4 6115 B10R0.57 CNC(=O)C(C)CNC(C)C 2230a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 6116 B10R0.57 CNC(=O)C(C)CNC(C)C 34a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 6117 B10R0.57 CNC(=O)C(C)NCC(C)C 2230a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 6118 B10R0.57 CNC(=O)C(C)NCC(C)C 34a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 6119 B10R0.57 CNC(=O)C(C)NCC(C)O 2230a_100000210904_100000731044 [0,2,0,0,0,0|2,0,0]=4 6120 B10R0.57 CNC(=O)C(C)NCC(C)O 34a_100000210904_100000731044 [0,2,0,0,0,0|2,0,0]=4 6121 B10R0.57 CNC(=O)C(C)OCC(C)Br 34a_100012180447_100000731044 [0,2,0,0,0,0|2,0,0]=4 6122 B10R0.57 CNC(=O)C(C)OCC(C)C 34a_100000210257_100000731044 [0,2,0,0,0,0|2,0,0]=4 6123 B10R0.57 CNC(=O)C(C)OCC(C)F 34a_100015925927_100000731044 [0,2,0,0,0,0|2,0,0]=4 6124 B10R0.57 CNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000731044 [0,2,0,0,0,0|2,0,0]=4 6125 B10R0.57 CNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000731044 [0,2,0,0,0,0|2,0,0]=4 6126 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000209862_100000210760 [0,2,0,0,0,0|2,0,0]=4 6127 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000210624_100000731044 [0,2,0,0,0,0|2,0,0]=4 6128 B10R0.57 CNC(=O)C(C)SCC(C)O 62a_100000209862_100011218427 [0,2,0,0,0,0|2,0,0]=4 6129 B10R0.57 CNC(=O)C(C)SCC(C)O 62a_100011218427_100000731044 [0,2,0,0,0,0|2,0,0]=4 6130 B10R0.57 CNC(=O)C(C)SC[C@@H](C)O 62a_100000209862_100009817552 [0,2,0,0,0,0|2,0,0]=4 6131 B10R0.57 CNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000731044 [0,2,0,0,0,0|2,0,0]=4 6132 B10R0.57 CNC(=O)C(F)NCC(C)C 2230a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 6133 B10R0.57 CNC(=O)C(F)NCC(C)C 34a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 6134 B10R0.57 CNC(=O)C(F)NCC(C)O 2230a_100000210904_100009813575 [0,2,0,0,0,0|2,0,0]=4 6135 B10R0.57 CNC(=O)C(F)NCC(C)O 34a_100000210904_100009813575 [0,2,0,0,0,0|2,0,0]=4 6136 B10R0.57 CNC(=O)C(F)OCC(C)Br 34a_100012180447_100009813575 [0,2,0,0,0,0|2,0,0]=4 6137 B10R0.57 CNC(=O)C(F)OCC(C)C 34a_100000210257_100009813575 [0,2,0,0,0,0|2,0,0]=4 6138 B10R0.57 CNC(=O)C(F)OCC(C)F 34a_100015925927_100009813575 [0,2,0,0,0,0|2,0,0]=4 6139 B10R0.57 CNC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100009813575 [0,2,0,0,0,0|2,0,0]=4 6140 B10R0.57 CNC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100009813575 [0,2,0,0,0,0|2,0,0]=4 6141 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100000210624_100009813575 [0,2,0,0,0,0|2,0,0]=4 6142 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100009813575_100000210760 [0,2,0,0,0,0|2,0,0]=4 6143 B10R0.57 CNC(=O)C(F)SCC(C)O 62a_100009813575_100011218427 [0,2,0,0,0,0|2,0,0]=4 6144 B10R0.57 CNC(=O)C(F)SCC(C)O 62a_100011218427_100009813575 [0,2,0,0,0,0|2,0,0]=4 6145 B10R0.57 CNC(=O)C(F)SC[C@@H](C)O 62a_100009813575_100009817552 [0,2,0,0,0,0|2,0,0]=4 6146 B10R0.57 CNC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100009813575 [0,2,0,0,0,0|2,0,0]=4 6147 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 6148 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 6149 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 2230a_100000684985_100000210760 [0,2,0,0,0,0|2,0,0]=4 6150 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 34a_100000684985_100000210624 [0,2,0,0,0,0|2,0,0]=4 6151 B10R0.57 CNC(=O)[C@@H](C)NCC(C)O 2230a_100000684985_100011218427 [0,2,0,0,0,0|2,0,0]=4 6152 B10R0.57 CNC(=O)[C@@H](C)NCC(C)O 34a_100000684985_100011218427 [0,2,0,0,0,0|2,0,0]=4 6153 B10R0.57 CNC(=O)[C@@H](C)NC[C@@H](C)O 2230a_100000684985_100009817552 [0,2,0,0,0,0|2,0,0]=4 6154 B10R0.57 CNC(=O)[C@@H](C)NC[C@@H](C)O 34a_100000684985_100009817552 [0,2,0,0,0,0|2,0,0]=4 6155 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|1,0,1]=4 6156 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|1,0,1]=4 6157 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|1,0,1]=4 6158 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|1,0,1]=4 6159 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 6160 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 6161 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 6162 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 6163 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|1,0,1]=4 6164 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|1,0,1]=4 6165 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|1,0,1]=4 6166 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|0,0,1]=3 6167 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 6168 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 6169 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,2,0,0,0,0|1,0,0]=3 6170 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,2,0,0,0,0|1,0,0]=3 6171 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,2,0,0,0,0|1,0,0]=3 6172 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,2,0,0,0,0|1,0,0]=3 6173 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,2,0,0,0,0|1,0,0]=3 6174 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,2,0,0,0,0|1,0,0]=3 6175 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|1,0,0]=3 6176 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|1,0,0]=3 6177 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|1,0,0]=3 6178 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|1,0,0]=3 6179 B10R0.57 COC(=O)C(C)NCC(F)F 34a_100000765723_100000211248 [0,2,0,0,0,0|2,0,0]=4 6180 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,2,0,0,0,0|1,0,1]=4 6181 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,2,0,0,0,0|1,0,0]=3 6182 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|1,0,0]=3 6183 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|1,0,0]=3 6184 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,2,0,0,0,0|1,0,0]=3 6185 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|1,0,0]=3 6186 B10R0.57 COC(=O)C(C)OCC(F)F 34a_100000743014_100000211248 [0,2,0,0,0,0|2,0,0]=4 6187 B10R0.57 COC(=O)C(C)OCC(F)F 34a_100011215400_100011934356 [0,2,0,0,0,0|2,0,0]=4 6188 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,2,0,0,0,0|1,0,0]=3 6189 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,2,0,0,0,0|1,0,0]=3 6190 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|1,0,0]=3 6191 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|1,0,0]=3 6192 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|1,0,0]=3 6193 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|1,0,0]=3 6194 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|1,0,0]=3 6195 B10R0.57 COC(=O)C(C)SCC(F)F 62a_100000211248_100011934356 [0,2,0,0,0,0|2,0,0]=4 6196 B10R0.57 COC(=O)C(C)SCC(F)F 62a_100011934356_100000211248 [0,2,0,0,0,0|2,0,0]=4 6197 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|1,0,0]=3 6198 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|1,0,0]=3 6199 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,2,0,0,0,0|1,0,0]=3 6200 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,2,0,0,0,0|1,0,1]=4 6201 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|1,0,0]=3 6202 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [0,2,0,0,0,0|0,0,2]=4 6203 B10R0.59 C#CC(=O)CCCN(C)CC 1458a_100000211873_100015186262 [0,2,0,0,0,0|1,0,1]=4 6204 B10R0.59 C#CC(C)NCCC(=O)NC 2230a_100000707721_100000737683 [0,2,0,0,0,0|2,0,0]=4 6205 B10R0.59 C#CC(C)NCCC(=O)NC 34a_100000707721_100012179268 [0,2,0,0,0,0|2,0,0]=4 6206 B10R0.59 C#CC(C)NCCC(=O)NC 34a_100000738227_200000035995 [0,2,0,0,0,0|2,0,0]=4 6207 B10R0.59 C#CC(C)NCCC(=O)OC 2230a_100000707721_100000204255 [0,2,0,0,0,0|1,0,0]=3 6208 B10R0.59 C#CC(C)NCCC(=O)OC 34a_100000707721_100000742370 [0,2,0,0,0,0|1,0,0]=3 6209 B10R0.59 C#CC(C)OCCC(=O)NC 34a_100000754576_200000035995 [0,2,0,0,0,0|2,0,0]=4 6210 B10R0.59 C#CC(C)SCCC(=O)NC 62a_200000035995_100000737683 [0,2,0,0,0,0|2,0,0]=4 6211 B10R0.59 C#CC(C)SCCC(=O)OC 62a_200000035995_100000204255 [0,2,0,0,0,0|1,0,0]=3 6212 B10R0.59 C#CC(C)SCOC(=O)OC 62a_200000035995_100000139417 [0,2,0,0,0,0|2,0,0]=4 6213 B10R0.59 C#C[C@@H](C)OCCC(=O)NC 34a_100009815206_100012179268 [0,2,0,0,0,0|2,0,0]=4 6214 B10R0.59 C#C[C@@H](C)OCCC(=O)NC 7a_100009815206_100000737683 [0,2,0,0,0,0|2,0,0]=4 6215 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 34a_100009815206_100000742370 [0,2,0,0,0,0|1,0,0]=3 6216 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 7a_100009815206_100000204255 [0,2,0,0,0,0|1,0,0]=3 6217 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,2,0,0,0,0|0,0,2]=4 6218 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,2,0,0,0,0|1,0,1]=4 6219 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|1,0,1]=4 6220 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|1,0,1]=4 6221 B10R0.59 C=CC(C)COCC(=O)CC 7a_100011215527_100000747405 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.59 C=CC(C)COCC(=O)NC 34a_100011215527_100000183359 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.59 C=CC(C)COCC(=O)NC 7a_100011215527_100000183359 [0,2,0,0,0,0|2,0,0]=4 6224 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,2,0,0,0,0|1,0,0]=3 6225 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,2,0,0,0,0|1,0,0]=3 6226 B10R0.59 C=CC(C)OCCC(=O)NC 34a_100000695699_100012179268 [0,2,0,0,0,0|2,0,0]=4 6227 B10R0.59 C=CC(C)OCCC(=O)OC 34a_100000695699_100000742370 [0,2,0,0,0,0|1,0,0]=3 6228 B10R0.59 C=CC(C)SCCC(=O)NC 62a_100011215867_100000737683 [0,2,0,0,0,0|2,0,0]=4 6229 B10R0.59 C=CC(C)SCCC(=O)OC 62a_100011215867_100000204255 [0,2,0,0,0,0|1,0,0]=3 6230 B10R0.59 C=CC(C)SCOC(=O)OC 62a_100011215867_100000139417 [0,2,0,0,0,0|2,0,0]=4 6231 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000730141_100000747449 [0,2,0,0,0,0|0,0,2]=4 6232 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000747449_100000730141 [0,2,0,0,0,0|0,0,2]=4 6233 B10R0.59 C=C[C@H](N)COCC(=O)OC 34a_100016989147_100000747449 [0,2,0,0,0,0|0,0,2]=4 6234 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,2,0,0,0,0|1,0,0]=3 6235 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|0,0,0]=2 6236 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|0,0,0]=2 6237 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|1,0,0]=3 6238 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,2,0,0,0,0|2,0,0]=4 6239 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,2,0,0,0,0|1,0,1]=4 6240 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,2,0,0,0,0|1,0,1]=4 6241 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,2,0,0,0,0|0,0,1]=3 6242 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|1,0,0]=3 6243 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|1,0,0]=3 6244 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,2,0,0,0,0|2,0,0]=4 6245 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|1,0,0]=3 6246 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|1,0,0]=3 6247 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,2,0,0,0,0|2,0,0]=4 6248 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,2,0,0,0,0|2,0,0]=4 6249 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,2,0,0,0,0|2,0,0]=4 6250 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,2,0,0,0,0|1,0,1]=4 6251 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,2,0,0,0,0|1,0,1]=4 6252 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,2,0,0,0,0|1,0,1]=4 6253 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,2,0,0,0,0|0,0,1]=3 6254 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,2,0,0,0,0|0,0,1]=3 6255 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,2,0,0,0,0|0,0,1]=3 6256 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|1,0,0]=3 6257 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|1,0,0]=3 6258 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|1,0,0]=3 6259 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|1,0,0]=3 6260 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,2,0,0,0,0|2,0,0]=4 6261 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,2,0,0,0,0|2,0,0]=4 6262 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|1,0,0]=3 6263 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|1,0,0]=3 6264 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,2,0,0,0,0|2,0,0]=4 6265 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,2,0,0,0,0|2,0,0]=4 6266 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,2,0,0,0,0|2,0,0]=4 6267 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,2,0,0,0,0|2,0,0]=4 6268 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,2,0,0,0,0|2,0,0]=4 6269 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,2,0,0,0,0|2,0,0]=4 6270 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 6271 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 6272 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,2,0,0,0,0|1,0,1]=4 6273 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,2,0,0,0,0|0,0,1]=3 6274 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 6275 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 6276 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 6277 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 6278 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 6279 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,2,0,0,0,0|2,0,0]=4 6281 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|2,0,0]=4 6282 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|2,0,0]=4 6283 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|1,0,0]=3 6284 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 6285 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 6286 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 6287 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 6288 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|1,0,0]=3 6289 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|1,0,0]=3 6290 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|1,0,0]=3 6291 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|1,0,0]=3 6292 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|0,0,0]=2 6293 B10R0.59 CCC(C)CNC[C@@H](C)OC 2230a_100020591295_100000748023 [0,2,0,0,0,0|1,0,1]=4 6294 B10R0.59 CCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243153 [0,2,0,0,0,0|1,0,1]=4 6295 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|1,0,0]=3 6296 B10R0.59 CCC(C)COCC(C)OC 34a_100000690652_100000748023 [0,2,0,0,0,0|1,0,1]=4 6297 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|1,0,0]=3 6298 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|1,0,0]=3 6299 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|0,0,0]=2 6300 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|0,0,0]=2 6301 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|1,0,0]=3 6302 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|1,0,0]=3 6303 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|1,0,0]=3 6304 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|0,0,0]=2 6305 B10R0.59 CCC(C)NN=CC(=O)OC 4a_100000718999_200011823558 [0,2,0,0,0,0|1,0,1]=4 6306 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|1,0,0]=3 6307 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|1,0,0]=3 6308 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|0,0,0]=2 6309 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [0,2,0,0,0,0|1,0,1]=4 6310 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|1,0,0]=3 6311 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|1,0,0]=3 6312 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|0,0,0]=2 6313 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|0,0,0]=2 6314 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|1,0,0]=3 6315 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|1,0,0]=3 6316 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|1,0,0]=3 6317 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|0,0,0]=2 6318 B10R0.59 CCC(O)CNC[C@@H](C)OC 2230a_100020591295_100011218378 [0,2,0,0,0,0|1,0,1]=4 6319 B10R0.59 CCC(O)CNNC(=O)NC 273464a_100102657272_100015206393 [0,2,0,0,0,0|2,0,0]=4 6320 B10R0.59 CCC(O)CNNC(=O)NC 512a_100015206393_100102657272 [0,2,0,0,0,0|2,0,0]=4 6321 B10R0.59 CCC(O)CNNC(=O)NC 512a_106832991638_100015206393 [0,2,0,0,0,0|2,0,0]=4 6322 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|1,0,0]=3 6323 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [0,2,0,0,0,0|1,0,1]=4 6324 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|1,0,0]=3 6325 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|1,0,0]=3 6326 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|0,0,0]=2 6327 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|0,0,0]=2 6328 B10R0.59 CCN(C)C/C=C/C(=O)OC 2230a_100000225621_100000742655 [0,2,0,0,0,0|0,0,2]=4 6329 B10R0.59 CCN(C)C/C=C/C(=O)OC 269982a_100000225621_100000742655 [0,2,0,0,0,0|0,0,2]=4 6330 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|2,0,0]=4 6331 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|1,0,0]=3 6332 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|1,0,0]=3 6333 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|0,0,0]=2 6334 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|0,0,0]=2 6335 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|0,0,0]=2 6336 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,2,0,0,0,0|2,0,0]=4 6337 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|1,0,0]=3 6338 B10R0.59 CC[C@H](C)CNC[C@@H](C)OC 2230a_100020591295_100009816398 [0,2,0,0,0,0|1,0,1]=4 6339 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|1,0,0]=3 6340 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|1,0,0]=3 6341 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|0,0,0]=2 6342 B10R0.59 CC[C@H](C)COCC(C)OC 34a_100000690652_100009816398 [0,2,0,0,0,0|1,0,1]=4 6343 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|1,0,0]=3 6344 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|1,0,0]=3 6345 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|0,0,0]=2 6346 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|0,0,0]=2 6347 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,2,0,0,0,0|1,0,1]=4 6348 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,2,0,0,0,0|0,0,1]=3 6349 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,2,0,0,0,0|0,0,1]=3 6350 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,2,0,0,0,0|0,0,1]=3 6351 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,2,0,0,0,0|0,0,1]=3 6352 B10R0.59 CNC(=O)CCCN(C)N=O 11a_106832991635_200000076914 [0,2,0,0,0,0|2,0,0]=4 6353 B10R0.59 CNC(=O)CCCN(C)N=O 1626a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 6354 B10R0.59 CNC(=O)CCCN(C)N=O 240690a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 6355 B10R0.59 CNC(=O)CCCN(C)N=O 527a_100102657272_200000076914 [0,2,0,0,0,0|2,0,0]=4 6356 B10R0.59 CNC(=O)CCNC(C)C#N 2230a_100000737613_100000737683 [0,2,0,0,0,0|2,0,0]=4 6357 B10R0.59 CNC(=O)CCNC(C)C#N 2230a_100000738227_100000184139 [0,2,0,0,0,0|2,0,0]=4 6358 B10R0.59 CNC(=O)CCNC(C)CO 2230a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 6359 B10R0.59 CNC(=O)CCNC(C)CO 34a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 6360 B10R0.59 CNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737683 [0,2,0,0,0,0|2,0,0]=4 6361 B10R0.59 CNC(=O)CCOC(C)C#N 34a_100011218135_100012179268 [0,2,0,0,0,0|2,0,0]=4 6362 B10R0.59 CNC(=O)CCOC(C)CF 34a_100016041109_100012179268 [0,2,0,0,0,0|2,0,0]=4 6363 B10R0.59 CNC(=O)CCOC(C)CF 7a_100016041109_100000737683 [0,2,0,0,0,0|2,0,0]=4 6364 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 6365 B10R0.59 CNC(=O)CCOC(C)CO 34a_100000754576_100012180447 [0,2,0,0,0,0|2,0,0]=4 6366 B10R0.59 CNC(=O)CCSC(C)C#N 62a_100000703298_100000737683 [0,2,0,0,0,0|2,0,0]=4 6367 B10R0.59 CNC(=O)CCSC(C)C#N 62a_100000737683_100000703298 [0,2,0,0,0,0|2,0,0]=4 6368 B10R0.59 CNC(=O)CCSC(C)CO 62a_100012180447_100000737683 [0,2,0,0,0,0|2,0,0]=4 6369 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,2,0,0,0,0|2,0,0]=4 6370 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,2,0,0,0,0|2,0,0]=4 6371 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100000737683_100016084084 [0,2,0,0,0,0|2,0,0]=4 6372 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737683 [0,2,0,0,0,0|2,0,0]=4 6373 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,2,0,0,0,0|1,0,1]=4 6374 B10R0.59 CNC(=O)CNCC(C)CO 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 6375 B10R0.59 CNC(=O)CNCC(O)CO 2230a_100000693194_100011219619 [0,2,0,0,0,0|2,0,0]=4 6376 B10R0.59 CNC(=O)CNC[C@@H](C)CO 2230a_100000693194_100000059175 [0,2,0,0,0,0|2,0,0]=4 6377 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,2,0,0,0,0|2,0,0]=4 6378 B10R0.59 CNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183359 [0,2,0,0,0,0|2,0,0]=4 6379 B10R0.59 CNC(=O)CNC[C@@H](O)CF 2230a_100000693194_100015614560 [0,2,0,0,0,0|2,0,0]=4 6380 B10R0.59 CNC(=O)CNC[C@@H](O)CO 2230a_100000693194_100009815848 [0,2,0,0,0,0|2,0,0]=4 6381 B10R0.59 CNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183359 [0,2,0,0,0,0|2,0,0]=4 6382 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,2,0,0,0,0|1,0,1]=4 6383 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 6384 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,2,0,0,0,0|2,0,0]=4 6385 B10R0.59 CNC(=O)COCC(Cl)CCl 34a_100000033668_100000183359 [0,2,0,0,0,0|2,0,0]=4 6386 B10R0.59 CNC(=O)COCC(O)CO 34a_100000750040_100011219619 [0,2,0,0,0,0|2,0,0]=4 6387 B10R0.59 CNC(=O)COC[C@@H](C)CO 34a_100000750040_100000059175 [0,2,0,0,0,0|2,0,0]=4 6388 B10R0.59 CNC(=O)COC[C@@H](O)CF 34a_100000750040_100015614560 [0,2,0,0,0,0|2,0,0]=4 6389 B10R0.59 CNC(=O)COC[C@@H](O)CO 34a_100000750040_100009815848 [0,2,0,0,0,0|2,0,0]=4 6390 B10R0.59 CNC(=O)COC[C@H](F)CN 34a_100015665980_100000183359 [0,2,0,0,0,0|2,0,0]=4 6391 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,2,0,0,0,0|1,0,1]=4 6392 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,2,0,0,0,0|1,0,1]=4 6393 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,2,0,0,0,0|1,0,1]=4 6394 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,2,0,0,0,0|1,0,1]=4 6395 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,2,0,0,0,0|1,0,1]=4 6396 B10R0.59 CNC(=O)CSCC(O)CO 62a_100000183359_100011219619 [0,2,0,0,0,0|2,0,0]=4 6397 B10R0.59 CNC(=O)CSCC(O)CO 62a_100011219619_100000183359 [0,2,0,0,0,0|2,0,0]=4 6398 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [0,2,0,0,0,0|2,0,0]=4 6399 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [0,2,0,0,0,0|2,0,0]=4 6400 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100000183359_100015614560 [0,2,0,0,0,0|2,0,0]=4 6401 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183359 [0,2,0,0,0,0|2,0,0]=4 6402 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100000183359_100009815848 [0,2,0,0,0,0|2,0,0]=4 6403 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183359 [0,2,0,0,0,0|2,0,0]=4 6404 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 6405 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 6406 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 6407 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 6408 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,2,0,0,0,0|2,0,0]=4 6409 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|0,0,1]=3 6410 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|0,0,1]=3 6411 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|1,0,0]=3 6412 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,2,0,0,0,0|1,0,1]=4 6413 B10R0.59 COC(=O)CCNC(C)C#N 2230a_100000737613_100000204255 [0,2,0,0,0,0|1,0,0]=3 6414 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|1,0,0]=3 6415 B10R0.59 COC(=O)CCOC(C)C#N 34a_100011218135_100000742370 [0,2,0,0,0,0|1,0,0]=3 6416 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|1,0,0]=3 6417 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|1,0,0]=3 6418 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,0]=3 6419 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000204255_100000703298 [0,2,0,0,0,0|1,0,0]=3 6420 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000703298_100000204255 [0,2,0,0,0,0|1,0,0]=3 6421 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|1,0,0]=3 6422 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,2,0,0,0,0|1,0,0]=3 6423 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,2,0,0,0,0|1,0,0]=3 6424 B10R0.59 COC(=O)CCSC(F)C#N 62a_100000204255_200000117898 [0,2,0,0,0,0|1,0,1]=4 6425 B10R0.59 COC(=O)CCSC(F)C#N 62a_200000117898_100000204255 [0,2,0,0,0,0|1,0,1]=4 6426 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|1,0,0]=3 6427 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|1,0,0]=3 6428 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,0]=3 6429 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|1,0,0]=3 6430 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|1,0,0]=3 6431 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|1,0,0]=3 6432 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,0]=3 6433 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|1,0,0]=3 6434 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|1,0,0]=3 6435 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|1,0,0]=3 6436 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [0,2,0,0,0,0|1,0,1]=4 6437 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,2,0,0,0,0|1,0,1]=4 6438 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|1,0,0]=3 6439 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|1,0,0]=3 6440 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|1,0,0]=3 6441 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|1,0,0]=3 6442 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|1,0,0]=3 6443 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|1,0,0]=3 6444 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|1,0,0]=3 6445 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|1,0,0]=3 6446 B10R0.59 COC(=O)OCSC(C)C#N 62a_100000703298_100000139417 [0,2,0,0,0,0|2,0,0]=4 6447 B10R0.59 COC(=O)OCSC(C)CO 62a_100012180447_100000139417 [0,2,0,0,0,0|2,0,0]=4 6448 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [0,2,0,0,0,0|2,0,0]=4 6449 B10R0.59 COC(=O)OCS[C@H](C)CO 62a_100016084084_100000139417 [0,2,0,0,0,0|2,0,0]=4 6450 B10R0.60 CCC(=O)CCCC(F)(F)F 1458a_100000210414_100011216173 [0,2,0,0,0,0|2,0,0]=4 6451 B10R0.60 CCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210202 [0,2,0,0,0,0|2,0,0]=4 6452 B10R0.60 CCC(=O)CCCS(=O)(=O)C 1458a_100000210414_100000754308 [0,2,0,0,0,0|2,0,0]=4 6453 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [0,2,0,0,0,0|2,0,0]=4 6454 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [0,2,0,0,0,0|2,0,0]=4 6455 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [0,2,0,0,0,0|1,1,0]=4 6456 B10R0.60 CCC(=O)COCC(C)(C)C 34a_100000725409_100011219605 [0,2,0,0,0,0|2,0,0]=4 6457 B10R0.60 CCC(=O)COCC(C)(C)F 34a_100000725409_100011997219 [0,2,0,0,0,0|2,0,0]=4 6458 B10R0.60 CCC(=O)COCC(C)(C)O 34a_100000725409_100000764493 [0,2,0,0,0,0|2,0,0]=4 6459 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100000747405_100011219605 [0,2,0,0,0,0|2,0,0]=4 6460 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100011219605_100000747405 [0,2,0,0,0,0|2,0,0]=4 6461 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100000747405_100011997219 [0,2,0,0,0,0|2,0,0]=4 6462 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100011997219_100000747405 [0,2,0,0,0,0|2,0,0]=4 6463 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000747405_100000764493 [0,2,0,0,0,0|2,0,0]=4 6464 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000764493_100000747405 [0,2,0,0,0,0|2,0,0]=4 6465 B10R0.60 CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 6466 B10R0.60 CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 6467 B10R0.60 CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 6468 B10R0.60 CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 6469 B10R0.60 CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 6470 B10R0.60 CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 6471 B10R0.60 CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 6472 B10R0.60 CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 6473 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [0,2,0,0,0,0|2,0,0]=4 6474 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [0,2,0,0,0,0|2,0,0]=4 6475 B10R0.60 CNC(=O)CCCC(F)(F)F 11a_106832991635_100000764234 [0,2,0,0,0,0|2,0,0]=4 6476 B10R0.60 CNC(=O)CCCC(F)(F)F 1626a_100102657272_100000764234 [0,2,0,0,0,0|2,0,0]=4 6477 B10R0.60 CNC(=O)CCCC(F)(F)F 240690a_100102657272_100000764234 [0,2,0,0,0,0|2,0,0]=4 6478 B10R0.60 CNC(=O)CCCC(F)(F)F 527a_100102657272_100000764234 [0,2,0,0,0,0|2,0,0]=4 6479 B10R0.60 CNC(=O)CCC[N+](C)(C)C 11a_106832991635_100000085584 [0,2,0,0,0,0|2,0,0]=4 6480 B10R0.60 CNC(=O)CCC[N+](C)(C)C 1626a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 6481 B10R0.60 CNC(=O)CCC[N+](C)(C)C 240690a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 6482 B10R0.60 CNC(=O)CCC[N+](C)(C)C 527a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 6483 B10R0.60 CNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737683 [0,2,0,0,0,0|2,0,0]=4 6484 B10R0.60 CNC(=O)CCNC(C)(C)C 34a_100000738227_100000210625 [0,2,0,0,0,0|2,0,0]=4 6485 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100000754576_100000210625 [0,2,0,0,0,0|2,0,0]=4 6486 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100015890283_100012179268 [0,2,0,0,0,0|2,0,0]=4 6487 B10R0.60 CNC(=O)CCOC(C)(C)C 7a_100015890283_100000737683 [0,2,0,0,0,0|2,0,0]=4 6488 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000211941_100000737683 [0,2,0,0,0,0|2,0,0]=4 6489 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000737683_100000211941 [0,2,0,0,0,0|2,0,0]=4 6490 B10R0.60 CNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183359 [0,2,0,0,0,0|2,0,0]=4 6491 B10R0.60 CNC(=O)CNCC(C)(C)C 270004a_100000693194_100011204126 [0,2,0,0,0,0|2,0,0]=4 6492 B10R0.60 CNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183359 [0,2,0,0,0,0|2,0,0]=4 6493 B10R0.60 CNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183359 [0,2,0,0,0,0|2,0,0]=4 6494 B10R0.60 CNC(=O)COCC(C)(C)C 34a_100000750040_100011219605 [0,2,0,0,0,0|2,0,0]=4 6495 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000716592_100000183359 [0,2,0,0,0,0|2,0,0]=4 6496 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000750040_100011997219 [0,2,0,0,0,0|2,0,0]=4 6497 B10R0.60 CNC(=O)COCC(C)(C)O 34a_100000750040_100000764493 [0,2,0,0,0,0|2,0,0]=4 6498 B10R0.60 CNC(=O)COCC(C)(F)F 34a_100000068830_100000183359 [0,2,0,0,0,0|2,0,0]=4 6499 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100000183359_100011219605 [0,2,0,0,0,0|2,0,0]=4 6500 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100011219605_100000183359 [0,2,0,0,0,0|2,0,0]=4 6501 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100000183359_100011997219 [0,2,0,0,0,0|2,0,0]=4 6502 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100011997219_100000183359 [0,2,0,0,0,0|2,0,0]=4 6503 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000183359_100000764493 [0,2,0,0,0,0|2,0,0]=4 6504 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000764493_100000183359 [0,2,0,0,0,0|2,0,0]=4 6505 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100000738805_106832991635 [0,2,0,0,0,0|2,0,0]=4 6506 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100102657272_100000738805 [0,2,0,0,0,0|2,0,0]=4 6507 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100000738805_100102657272 [0,2,0,0,0,0|2,0,0]=4 6508 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100102657272_100000738805 [0,2,0,0,0,0|2,0,0]=4 6509 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_100000738805_100102657272 [0,2,0,0,0,0|2,0,0]=4 6510 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_106832991638_100000738805 [0,2,0,0,0,0|2,0,0]=4 6511 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100016253952_106832991635 [0,2,0,0,0,0|2,0,0]=4 6512 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100102657272_100016253952 [0,2,0,0,0,0|2,0,0]=4 6513 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100016253952_100102657272 [0,2,0,0,0,0|2,0,0]=4 6514 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100102657272_100016253952 [0,2,0,0,0,0|2,0,0]=4 6515 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_100016253952_100102657272 [0,2,0,0,0,0|2,0,0]=4 6516 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_106832991638_100016253952 [0,2,0,0,0,0|2,0,0]=4 6517 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100000707701_106832991635 [0,2,0,0,0,0|2,0,0]=4 6518 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 6519 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 6520 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 6521 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 6522 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_106832991638_100000707701 [0,2,0,0,0,0|2,0,0]=4 6523 B10R0.60 COC(=O)CCNC(C)(C)C 2230a_100000715429_100000204255 [0,2,0,0,0,0|1,0,0]=3 6524 B10R0.60 COC(=O)CCOC(C)(C)C 34a_100015890283_100000742370 [0,2,0,0,0,0|1,0,0]=3 6525 B10R0.60 COC(=O)CCOC(C)(C)C 7a_100015890283_100000204255 [0,2,0,0,0,0|1,0,0]=3 6526 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000204255_100000211941 [0,2,0,0,0,0|1,0,0]=3 6527 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000211941_100000204255 [0,2,0,0,0,0|1,0,0]=3 6528 B10R0.60 COC(=O)CCSC(F)(F)F 62a_100000204255_200103152311 [0,2,0,0,0,0|2,0,0]=4 6529 B10R0.60 COC(=O)CCSC(F)(F)F 62a_200000243211_100000204255 [0,2,0,0,0,0|2,0,0]=4 6530 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,2,0,0,0,0|1,0,0]=3 6531 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,2,0,0,0,0|1,0,0]=3 6532 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,2,0,0,0,0|1,0,0]=3 6533 B10R0.60 COC(=O)CNCC(F)(F)F 34a_100000717047_100000747449 [0,2,0,0,0,0|2,0,0]=4 6534 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,2,0,0,0,0|1,0,0]=3 6535 B10R0.60 COC(=O)COCC(C)(F)F 34a_100000068830_100000747449 [0,2,0,0,0,0|1,0,0]=3 6536 B10R0.60 COC(=O)COCC(F)(F)Br 34a_100011217949_100000747449 [0,2,0,0,0,0|2,0,0]=4 6537 B10R0.60 COC(=O)COCC(F)(F)Cl 34a_100000734434_100000747449 [0,2,0,0,0,0|2,0,0]=4 6538 B10R0.60 COC(=O)COCC(F)(F)F 34a_100000210435_100000747449 [0,2,0,0,0,0|2,0,0]=4 6539 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,2,0,0,0,0|1,0,0]=3 6540 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,2,0,0,0,0|1,0,0]=3 6541 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,2,0,0,0,0|1,0,0]=3 6542 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,2,0,0,0,0|1,0,0]=3 6543 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,2,0,0,0,0|1,0,0]=3 6544 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,2,0,0,0,0|1,0,0]=3 6545 B10R0.60 COC(=O)CSCC(F)(F)F 62a_100000747449_100000763148 [0,2,0,0,0,0|2,0,0]=4 6546 B10R0.60 COC(=O)CSCC(F)(F)F 62a_100000763148_100000747449 [0,2,0,0,0,0|2,0,0]=4 6547 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_100000747449_200000036245 [0,2,0,0,0,0|2,0,0]=4 6548 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747449 [0,2,0,0,0,0|2,0,0]=4 6549 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747449 [0,2,0,0,0,0|1,1,0]=4 6550 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000747449_100000037933 [0,2,0,0,0,0|1,1,0]=4 6551 B10R0.60 COC(=O)OCSC(C)(C)C 62a_100000211941_100000139417 [0,2,0,0,0,0|2,0,0]=4 6552 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [0,2,0,0,0,0|1,0,1]=4 6553 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [0,2,0,0,0,0|1,0,1]=4 6554 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,2,0,0,0,0|2,0,0]=4 6555 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,2,0,0,0,0|2,0,0]=4 6556 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|2,0,0]=4 6557 B10R0.82 CCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210202 [0,2,0,0,0,0|1,0,1]=4 6558 B10R0.82 CCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210202 [0,2,0,0,0,0|2,0,0]=4 6559 B10R0.82 CCC(=O)COC(C)C(C)C 7a_100000748068_100000747405 [0,2,0,0,0,0|2,0,0]=4 6560 B10R0.82 CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210414 [0,2,0,0,0,0|2,0,0]=4 6561 B10R0.82 CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210414 [0,2,0,0,0,0|2,0,0]=4 6562 B10R0.82 CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210414 [0,2,0,0,0,0|2,0,0]=4 6563 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|1,0,0]=3 6564 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 6565 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 6566 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 6567 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,2,0,0,0,0|1,0,0]=3 6568 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 6569 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 6570 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 6571 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,2,0,0,0,0|2,0,0]=4 6572 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 6573 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 6574 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 6575 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,2,0,0,0,0|2,0,0]=4 6576 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [0,2,0,0,0,0|2,0,0]=4 6577 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,2,0,0,0,0|2,0,0]=4 6578 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,2,0,0,0,0|2,0,0]=4 6579 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,2,0,0,0,0|2,0,0]=4 6580 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,2,0,0,0,0|2,0,0]=4 6581 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100000209981_100000185267 [0,2,0,0,0,0|2,0,0]=4 6582 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100015183351_100000758301 [0,2,0,0,0,0|2,0,0]=4 6583 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,2,0,0,0,0|2,0,0]=4 6584 B10R0.82 CCC(C)OCC(=O)N(C)C 7a_100000210228_100000692301 [0,2,0,0,0,0|2,0,0]=4 6585 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|2,0,0]=4 6586 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|2,0,0]=4 6587 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [0,2,0,0,0,0|2,0,0]=4 6588 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [0,2,0,0,0,0|2,0,0]=4 6589 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000692301_100000758301 [0,2,0,0,0,0|2,0,0]=4 6590 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000758301_100000692301 [0,2,0,0,0,0|2,0,0]=4 6591 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 6592 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 6593 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,2,0,0,0,0|2,0,0]=4 6594 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,2,0,0,0,0|2,0,0]=4 6595 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,2,0,0,0,0|2,0,0]=4 6596 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,2,0,0,0,0|2,0,0]=4 6597 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,2,0,0,0,0|2,0,0]=4 6598 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,2,0,0,0,0|2,0,0]=4 6599 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,2,0,0,0,0|2,0,0]=4 6600 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,2,0,0,0,0|2,0,0]=4 6601 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [0,2,0,0,0,0|2,0,0]=4 6602 B10R0.82 CCN(C)CCC(=O)N(C)C 2230a_100000225621_100000737620 [0,2,0,0,0,0|2,0,0]=4 6603 B10R0.82 CCN(C)CCC(=O)N(C)C 240690a_100102631434_100000755305 [0,2,0,0,0,0|2,0,0]=4 6604 B10R0.82 CCN(C)CCC(=O)N(C)C 269982a_100000225621_100000737620 [0,2,0,0,0,0|2,0,0]=4 6605 B10R0.82 CCS(=O)CCC(=O)C(C)C 1458a_100011387550_100000210206 [0,2,0,0,0,0|2,0,0]=4 6606 B10R0.82 CCS(=O)CCC(=O)N(C)C 11a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 6607 B10R0.82 CCS(=O)CCC(=O)N(C)C 1626a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 6608 B10R0.82 CCS(=O)CCC(=O)N(C)C 240690a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 6609 B10R0.82 CCS(=O)CCC(=O)N(C)C 527a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 6610 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,2,0,0,0,0|1,0,1]=4 6611 B10R0.82 CNC(=O)CCN(C)C(C)C 1626a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 6612 B10R0.82 CNC(=O)CCN(C)C(C)C 2230a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 6613 B10R0.82 CNC(=O)CCN(C)C(C)C 240690a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 6614 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 6615 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737683 [0,2,0,0,0,0|2,0,0]=4 6616 B10R0.82 CNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183359 [0,2,0,0,0,0|2,0,0]=4 6617 B10R0.82 CNC(=O)COC(C)C(C)C 7a_100000748068_100000183359 [0,2,0,0,0,0|2,0,0]=4 6618 B10R0.82 CNC(=O)NCC(O)C(C)C 2708a_100102657272_100000759067 [0,2,0,0,0,0|2,0,0]=4 6619 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100000759067_100102657272 [0,2,0,0,0,0|2,0,0]=4 6620 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100102657272_100000759067 [0,2,0,0,0,0|2,0,0]=4 6621 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_100000759067_100102657272 [0,2,0,0,0,0|2,0,0]=4 6622 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_106832991638_100000759067 [0,2,0,0,0,0|2,0,0]=4 6623 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,2,0,0,0,0|0,0,1]=3 6624 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 6625 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 6626 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 6627 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 6628 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,2,0,0,0,0|1,0,1]=4 6629 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,2,0,0,0,0|1,0,1]=4 6630 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,2,0,0,0,0|1,0,1]=4 6631 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,2,0,0,0,0|1,0,1]=4 6632 B10R0.82 COC(=O)CCN(C)C(C)C 2230a_100000228967_200000210301 [0,2,0,0,0,0|1,0,0]=3 6633 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100000228967_200000210301 [0,2,0,0,0,0|1,0,0]=3 6634 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100025711912_100000210206 [0,2,0,0,0,0|1,0,0]=3 6635 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_200000211004_100000204255 [0,2,0,0,0,0|1,0,0]=3 6636 B10R0.82 COC(=O)CCN([13CH3])C(C)C 2230a_100000228967_200025704644 [0,2,0,0,0,0|1,0,0]=3 6637 B10R0.82 COC(=O)CCN([13CH3])C(C)C 269982a_100000228967_200025704644 [0,2,0,0,0,0|1,0,0]=3 6638 B10R0.82 COC(=O)CNC(=O)C(C)C 188690a_100000185156_100000210198 [0,2,0,0,0,0|1,0,1]=4 6639 B10R0.82 COC(=O)CNC(=O)C(C)F 188690a_100000185156_100000062450 [0,2,0,0,0,0|1,0,1]=4 6640 B10R0.82 COC(=O)CNC(=O)[C@@H](C)O 188690a_100000185156_100000717761 [0,2,0,0,0,0|1,0,1]=4 6641 B10R0.82 COC(=O)CNC(=O)[C@H](C)O 188690a_100000185156_217856618621 [0,2,0,0,0,0|1,0,1]=4 6642 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,2,0,0,0,0|1,0,0]=3 6643 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,2,0,0,0,0|1,0,1]=4 6644 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,2,0,0,0,0|1,0,0]=3 6645 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,2,0,0,0,0|1,0,1]=4 6646 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,2,0,0,0,0|1,0,1]=4 6647 B10R0.82 COC(=O)NCC(=O)C(C)C 1458a_100000215747_100000210206 [0,2,0,0,0,0|1,0,1]=4 6648 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|1,0,1]=4 6649 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|1,0,0]=3 6650 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|1,0,0]=3 6651 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,2,0,0,0,0|2,0,0]=4 6652 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,2,0,0,0,0|2,0,0]=4 6653 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,2,0,0,0,0|2,0,0]=4 6654 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,2,0,0,0,0|2,0,0]=4 6655 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,2,0,0,0,0|2,0,0]=4 6656 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|2,0,0]=4 6657 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|2,0,0]=4 6658 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|2,0,0]=4 6659 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|2,0,0]=4 6660 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|2,0,0]=4 6661 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|2,0,0]=4 6662 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|2,0,0]=4 6663 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|2,0,0]=4 6664 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|2,0,0]=4 6665 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|2,0,0]=4 6666 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|2,0,0]=4 6667 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|2,0,0]=4 6668 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|2,0,0]=4 6669 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,2,0,0,0,0|1,0,1]=4 6670 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,2,0,0,0,0|1,0,1]=4 6671 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,2,0,0,0,0|1,0,1]=4 6672 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|1,0,1]=4 6673 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|1,0,1]=4 6674 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,2,0,0,0,0|2,0,0]=4 6675 B10R0.98 CC(Br)COCC(=O)N(C)C 34a_100012180447_100000692301 [0,2,0,0,0,0|2,0,0]=4 6676 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,2,0,0,0,0|2,0,0]=4 6677 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,2,0,0,0,0|2,0,0]=4 6678 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,2,0,0,0,0|2,0,0]=4 6679 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,2,0,0,0,0|2,0,0]=4 6680 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,2,0,0,0,0|2,0,0]=4 6681 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|1,0,0]=3 6682 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|1,0,0]=3 6683 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|1,0,0]=3 6684 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,2,0,0,0,0|2,0,0]=4 6685 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 6686 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 6687 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 6688 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,2,0,0,0,0|1,0,0]=3 6689 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|1,0,0]=3 6690 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|1,0,0]=3 6691 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 6692 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 6693 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 6694 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,2,0,0,0,0|2,0,0]=4 6695 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 6696 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 6697 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 6698 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,2,0,0,0,0|2,0,0]=4 6699 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,2,0,0,0,0|2,0,0]=4 6700 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,2,0,0,0,0|2,0,0]=4 6701 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,2,0,0,0,0|2,0,0]=4 6702 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,2,0,0,0,0|2,0,0]=4 6703 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,2,0,0,0,0|2,0,0]=4 6704 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,2,0,0,0,0|2,0,0]=4 6705 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100000210953_100000185267 [0,2,0,0,0,0|2,0,0]=4 6706 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100015183351_100000210760 [0,2,0,0,0,0|2,0,0]=4 6707 B10R0.98 CC(C)CNCC(=O)N(C)C 270004a_100015183351_100000210432 [0,2,0,0,0,0|2,0,0]=4 6708 B10R0.98 CC(C)CNCC(=O)N(C)C 34a_100000210953_100000692301 [0,2,0,0,0,0|2,0,0]=4 6709 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,2,0,0,0,0|2,0,0]=4 6710 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,2,0,0,0,0|2,0,0]=4 6711 B10R0.98 CC(C)COCC(=O)N(C)C 11a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6712 B10R0.98 CC(C)COCC(=O)N(C)C 1626a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6713 B10R0.98 CC(C)COCC(=O)N(C)C 240690a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6714 B10R0.98 CC(C)COCC(=O)N(C)C 34a_100000210257_100000692301 [0,2,0,0,0,0|2,0,0]=4 6715 B10R0.98 CC(C)COCC(=O)N(C)C 527a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6716 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,2,0,0,0,0|2,0,0]=4 6717 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,2,0,0,0,0|2,0,0]=4 6718 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000210624_100000692301 [0,2,0,0,0,0|2,0,0]=4 6719 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000692301_100000210760 [0,2,0,0,0,0|2,0,0]=4 6720 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100000738053_100000210206 [0,2,0,0,0,0|2,0,0]=4 6721 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100138425928_100000737620 [0,2,0,0,0,0|2,0,0]=4 6722 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,2,0,0,0,0|2,0,0]=4 6723 B10R0.98 CC(C)OCCC(=O)C(C)F 1458a_100000062450_100000211751 [0,2,0,0,0,0|2,0,0]=4 6724 B10R0.98 CC(C)OCCC(=O)N(C)C 34a_200000747469_100000210206 [0,2,0,0,0,0|2,0,0]=4 6725 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,2,0,0,0,0|2,0,0]=4 6726 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,2,0,0,0,0|2,0,0]=4 6727 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,2,0,0,0,0|2,0,0]=4 6728 B10R0.98 CC(C)SCCC(=O)C(C)F 1458a_100000062450_100000730970 [0,2,0,0,0,0|2,0,0]=4 6729 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000210206_100000737620 [0,2,0,0,0,0|2,0,0]=4 6730 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000737620_100000210206 [0,2,0,0,0,0|2,0,0]=4 6731 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,2,0,0,0,0|2,0,0]=4 6732 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,2,0,0,0,0|2,0,0]=4 6733 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [0,2,0,0,0,0|2,0,0]=4 6734 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,2,0,0,0,0|2,0,0]=4 6735 B10R0.98 CC(F)COCC(=O)N(C)C 34a_100015925927_100000692301 [0,2,0,0,0,0|2,0,0]=4 6736 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|1,0,0]=3 6737 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|1,0,0]=3 6738 B10R0.98 CC(O)CCCC(=O)C(O)O 1458a_100000233687_200000718107 [0,2,0,0,0,0|2,0,0]=4 6739 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,2,0,0,0,0|1,0,0]=3 6740 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,2,0,0,0,0|1,0,0]=3 6741 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|1,0,0]=3 6742 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|1,0,0]=3 6743 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,2,0,0,0,0|2,0,0]=4 6744 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,2,0,0,0,0|2,0,0]=4 6745 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,2,0,0,0,0|2,0,0]=4 6746 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,2,0,0,0,0|2,0,0]=4 6747 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,2,0,0,0,0|2,0,0]=4 6748 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,2,0,0,0,0|2,0,0]=4 6749 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,2,0,0,0,0|2,0,0]=4 6750 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|2,0,0]=4 6751 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100000210904_100000185267 [0,2,0,0,0,0|2,0,0]=4 6752 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100015183351_100011218427 [0,2,0,0,0,0|2,0,0]=4 6753 B10R0.98 CC(O)CNCC(=O)N(C)C 34a_100000210904_100000692301 [0,2,0,0,0,0|2,0,0]=4 6754 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,2,0,0,0,0|2,0,0]=4 6755 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,2,0,0,0,0|2,0,0]=4 6756 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100000692301_100011218427 [0,2,0,0,0,0|2,0,0]=4 6757 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100011218427_100000692301 [0,2,0,0,0,0|2,0,0]=4 6758 B10R0.98 CN(C)CCCC(=O)N(C)C 11a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 6759 B10R0.98 CN(C)CCCC(=O)N(C)C 2230a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 6760 B10R0.98 CN(C)CCCC(=O)N(C)C 240690a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 6761 B10R0.98 CN(C)CCCC(=O)N(C)C 269982a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 6762 B10R0.98 C[C@@H](Cl)COCC(=O)N(C)C 34a_100016084084_100000692301 [0,2,0,0,0,0|2,0,0]=4 6763 B10R0.98 C[C@@H](N)COCC(=O)N(C)C 34a_100000737577_100000692301 [0,2,0,0,0,0|2,0,0]=4 6764 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|2,0,0]=4 6765 B10R0.98 C[C@@H](O)CNCC(=O)N(C)C 2230a_100015183351_100009817552 [0,2,0,0,0,0|2,0,0]=4 6766 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100000692301_100009817552 [0,2,0,0,0,0|2,0,0]=4 6767 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100009817552_100000692301 [0,2,0,0,0,0|2,0,0]=4 6768 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|2,0,0]=4 6769 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|1,0,1]=4 6770 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|1,0,1]=4 6771 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,2,0,0,0,0|1,0,1]=4 6772 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,2,0,0,0,0|1,0,1]=4 6773 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,2,0,0,0,0|1,0,1]=4 6774 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,2,0,0,0,0|1,0,1]=4 6775 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,2,0,0,0,0|1,0,1]=4 6776 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,2,0,0,0,0|1,0,1]=4 6777 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,2,0,0,0,0|1,0,1]=4 6778 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,2,0,0,0,0|1,0,1]=4 6779 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,2,0,0,0,0|1,0,1]=4 6780 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|1,0,1]=4 6781 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|1,0,1]=4 6782 B10R0.1 C#CCCCCC(=O)C#CC 1458a_100000763181_100010269958 [0,2,0,0,0,0|1,0,1]=4 6783 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,2,0,0,0,0|1,0,1]=4 6784 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,2,0,0,0,0|1,0,1]=4 6785 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,2,0,0,0,0|1,0,1]=4 6786 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,2,0,0,0,0|1,0,1]=4 6787 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|1,0,1]=4 6788 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|1,0,1]=4 6789 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|0,0,1]=3 6790 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,2,0,0,0,0|0,1,1]=4 6791 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,2,0,0,0,0|1,0,1]=4 6792 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,2,0,0,0,0|1,0,1]=4 6793 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,2,0,0,0,0|1,0,1]=4 6794 B10R0.1 C#CCCCCC(=O)NNC 22a_100016993582_100000696528 [0,2,0,0,0,0|1,0,1]=4 6795 B10R0.1 C#CCCCNC(=O)COC 11a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 6796 B10R0.1 C#CCCCNC(=O)COC 1626a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 6797 B10R0.1 C#CCCCNC(=O)COC 240690a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 6798 B10R0.1 C#CCCCNC(=O)COC 527a_100000718082_100000210968 [0,2,0,0,0,0|0,0,2]=4 6799 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,2,0,0,0,0|0,0,2]=4 6800 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,2,0,0,0,0|0,0,2]=4 6801 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,2,0,0,0,0|0,0,2]=4 6802 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,2,0,0,0,0|0,0,2]=4 6803 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,2,0,0,0,0|0,0,2]=4 6804 B10R0.1 C#CCOCCC(=O)COC 1458a_100000210968_100010402529 [0,2,0,0,0,0|0,0,2]=4 6805 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,2,0,0,0,0|0,0,2]=4 6806 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,2,0,0,0,0|0,0,2]=4 6807 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,2,0,0,0,0|0,0,2]=4 6808 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,2,0,0,0,0|0,0,2]=4 6809 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,2,0,0,0,0|0,0,2]=4 6810 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|1,0,1]=4 6811 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|1,0,1]=4 6812 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|1,0,1]=4 6813 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|1,0,1]=4 6814 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|1,0,1]=4 6815 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|1,0,1]=4 6816 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|1,0,1]=4 6817 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|1,0,1]=4 6818 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|1,0,1]=4 6819 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|1,0,1]=4 6820 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|1,0,1]=4 6821 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 6822 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 6823 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 6824 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|1,0,1]=4 6825 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,2,0,0,0,0|1,0,1]=4 6826 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,2,0,0,0,0|1,0,1]=4 6827 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|1,0,1]=4 6828 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|1,0,1]=4 6829 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,2,0,0,0,0|1,0,1]=4 6830 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|1,0,1]=4 6831 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|1,0,1]=4 6832 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|0,0,1]=3 6833 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|0,1,1]=4 6834 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 6835 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 6836 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|1,0,1]=4 6837 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,2,0,0,0,0|1,0,1]=4 6838 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 6839 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 6840 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 6841 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,2,0,0,0,0|0,0,2]=4 6842 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,2,0,0,0,0|0,0,2]=4 6843 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,2,0,0,0,0|0,0,2]=4 6844 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,2,0,0,0,0|0,0,2]=4 6845 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,2,0,0,0,0|0,0,2]=4 6846 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,2,0,0,0,0|0,0,2]=4 6847 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,2,0,0,0,0|0,0,2]=4 6848 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,2,0,0,0,0|0,0,2]=4 6849 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,2,0,0,0,0|0,0,2]=4 6850 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|0,0,1]=3 6851 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,2,0,0,0,0|1,0,1]=4 6852 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,2,0,0,0,0|1,0,1]=4 6853 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,2,0,0,0,0|1,0,1]=4 6854 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,2,0,0,0,0|1,0,1]=4 6855 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,2,0,0,0,0|1,0,1]=4 6856 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|0,0,1]=3 6857 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,2,0,0,0,0|1,0,1]=4 6858 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,2,0,0,0,0|1,0,1]=4 6859 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,2,0,0,0,0|1,0,1]=4 6860 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,2,0,0,0,0|1,0,1]=4 6861 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,2,0,0,0,0|1,0,1]=4 6862 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|0,0,1]=3 6863 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|0,0,1]=3 6864 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,2,0,0,0,0|1,0,1]=4 6865 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,2,0,0,0,0|1,0,1]=4 6866 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,2,0,0,0,0|1,0,1]=4 6867 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,2,0,0,0,0|1,0,1]=4 6868 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,2,0,0,0,0|1,0,1]=4 6869 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,2,0,0,0,0|1,0,1]=4 6870 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,2,0,0,0,0|1,0,1]=4 6871 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,2,0,0,0,0|1,0,1]=4 6872 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [0,2,0,0,0,0|1,0,1]=4 6873 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [0,2,0,0,0,0|1,0,1]=4 6874 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,2,0,0,0,0|1,0,1]=4 6875 B10R0.1 CC#CC(=O)CCCCC#N 1458a_100000763181_100000211819 [0,2,0,0,0,0|1,0,1]=4 6876 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|1,0,0]=3 6877 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|1,0,0]=3 6878 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|1,0,0]=3 6879 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|1,0,0]=3 6880 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,2,0,0,0,0|1,0,0]=3 6881 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|1,0,0]=3 6882 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,2,0,0,0,0|2,0,0]=4 6883 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|1,0,0]=3 6884 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,2,0,0,0,0|2,0,0]=4 6885 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,2,0,0,0,0|0,0,2]=4 6886 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,2,0,0,0,0|0,0,2]=4 6887 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,2,0,0,0,0|0,0,2]=4 6888 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,2,0,0,0,0|0,0,2]=4 6889 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,2,0,0,0,0|0,0,2]=4 6890 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|1,0,1]=4 6891 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|1,0,1]=4 6892 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|0,0,1]=3 6893 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,2,0,0,0,0|0,1,1]=4 6894 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,2,0,0,0,0|1,0,1]=4 6895 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,2,0,0,0,0|1,0,1]=4 6896 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|1,0,0]=3 6897 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|1,0,0]=3 6898 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|1,0,0]=3 6899 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|1,0,0]=3 6900 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|1,0,0]=3 6901 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|1,0,0]=3 6902 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,2,0,0,0,0|2,0,0]=4 6903 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|1,0,0]=3 6904 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|1,0,0]=3 6905 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|1,0,0]=3 6906 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|1,0,0]=3 6907 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,2,0,0,0,0|2,0,0]=4 6908 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,2,0,0,0,0|2,0,0]=4 6909 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,2,0,0,0,0|2,0,0]=4 6910 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,2,0,0,0,0|2,0,0]=4 6911 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,2,0,0,0,0|2,0,0]=4 6912 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,2,0,0,0,0|2,0,0]=4 6913 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,2,0,0,0,0|2,0,0]=4 6914 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,2,0,0,0,0|2,0,0]=4 6915 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,2,0,0,0,0|2,0,0]=4 6916 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 6917 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 6918 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,2,0,0,0,0|2,0,0]=4 6919 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,2,0,0,0,0|2,0,0]=4 6920 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,2,0,0,0,0|0,0,2]=4 6921 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,2,0,0,0,0|0,0,2]=4 6922 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|1,0,1]=4 6923 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,2,0,0,0,0|1,0,1]=4 6924 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|1,0,1]=4 6925 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,2,0,0,0,0|1,0,1]=4 6926 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,2,0,0,0,0|1,0,1]=4 6927 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,2,0,0,0,0|1,0,1]=4 6928 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,2,0,0,0,0|1,0,1]=4 6929 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,2,0,0,0,0|1,0,1]=4 6930 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|1,0,0]=3 6931 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|1,0,0]=3 6932 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|1,0,0]=3 6933 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|1,0,0]=3 6934 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,0,0]=3 6935 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|2,0,0]=4 6936 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|2,0,0]=4 6937 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,2,0,0,0,0|2,0,0]=4 6938 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,2,0,0,0,0|2,0,0]=4 6939 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,2,0,0,0,0|2,0,0]=4 6940 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,2,0,0,0,0|2,0,0]=4 6941 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,2,0,0,0,0|2,0,0]=4 6942 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,2,0,0,0,0|2,0,0]=4 6943 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,2,0,0,0,0|2,0,0]=4 6944 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,2,0,0,0,0|2,0,0]=4 6945 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,2,0,0,0,0|2,0,0]=4 6946 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,2,0,0,0,0|2,0,0]=4 6947 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,2,0,0,0,0|2,0,0]=4 6948 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,2,0,0,0,0|2,0,0]=4 6949 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,2,0,0,0,0|2,0,0]=4 6950 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,2,0,0,0,0|2,0,0]=4 6951 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,2,0,0,0,0|2,0,0]=4 6952 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,2,0,0,0,0|2,0,0]=4 6953 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,2,0,0,0,0|2,0,0]=4 6954 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,2,0,0,0,0|2,0,0]=4 6955 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,2,0,0,0,0|2,0,0]=4 6956 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,2,0,0,0,0|2,0,0]=4 6957 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 6958 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 6959 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 6960 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,2,0,0,0,0|2,0,0]=4 6961 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,2,0,0,0,0|2,0,0]=4 6962 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,2,0,0,0,0|2,0,0]=4 6963 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,2,0,0,0,0|2,0,0]=4 6964 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,2,0,0,0,0|2,0,0]=4 6965 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 6966 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 6967 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 6968 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,2,0,0,0,0|2,0,0]=4 6969 B10R0.1 CCCC=NNC(=O)COC 4a_100000216845_100000185831 [0,2,0,0,0,0|1,0,1]=4 6970 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|1,0,1]=4 6971 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,2,0,0,0,0|1,0,1]=4 6972 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|1,0,1]=4 6973 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|1,0,1]=4 6974 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|1,0,1]=4 6975 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,2,0,0,0,0|1,0,1]=4 6976 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|1,0,1]=4 6977 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|1,0,1]=4 6978 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|1,0,1]=4 6979 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|1,0,1]=4 6980 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|1,0,1]=4 6981 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|1,0,0]=3 6982 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|1,0,0]=3 6983 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|1,0,0]=3 6984 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|1,0,0]=3 6985 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|1,0,0]=3 6986 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,0]=2 6987 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,1,0]=3 6988 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|1,0,0]=3 6989 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|1,0,0]=3 6990 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|1,0,0]=3 6991 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|1,0,0]=3 6992 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 6993 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|1,0,1]=4 6994 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 6995 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 6996 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 6997 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 6998 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 6999 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|1,0,1]=4 7000 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|1,0,1]=4 7001 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 7002 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 7003 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 7004 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|1,0,1]=4 7005 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|1,0,1]=4 7006 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|1,0,1]=4 7007 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 7008 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 7009 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 7010 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|1,0,0]=3 7011 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|1,0,0]=3 7012 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|1,0,0]=3 7013 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|1,0,0]=3 7014 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|1,0,0]=3 7015 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 7016 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 7017 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 7018 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|0,0,0]=2 7019 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|0,0,0]=2 7020 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|0,1,0]=3 7021 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|0,1,0]=3 7022 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|0,1,0]=3 7023 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|0,1,0]=3 7024 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|0,1,0]=3 7025 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|0,1,0]=3 7026 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|0,1,0]=3 7027 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|0,1,0]=3 7028 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|1,0,0]=3 7029 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|1,0,0]=3 7030 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|1,0,0]=3 7031 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|1,0,0]=3 7032 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|1,0,0]=3 7033 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|1,0,0]=3 7034 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|1,0,0]=3 7035 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|1,0,0]=3 7036 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|1,0,0]=3 7037 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|1,0,1]=4 7038 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|1,0,1]=4 7039 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|1,0,1]=4 7040 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|1,0,1]=4 7041 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|1,0,1]=4 7042 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|1,0,1]=4 7043 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|1,0,1]=4 7044 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|1,0,1]=4 7045 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|1,0,0]=3 7046 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|1,0,0]=3 7047 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|1,0,0]=3 7048 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|1,0,0]=3 7049 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|1,0,0]=3 7050 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,0]=3 7051 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,0]=3 7052 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|0,0,0]=2 7053 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|0,0,0]=2 7054 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,2,0,0,0,0|0,0,2]=4 7055 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,2,0,0,0,0|0,0,2]=4 7056 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,2,0,0,0,0|0,0,2]=4 7057 B10R0.1 CCCCNN=C(C)COC 4a_100025702795_100000749346 [0,2,0,0,0,0|2,0,0]=4 7058 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,2,0,0,0,0|2,0,0]=4 7059 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|2,0,0]=4 7060 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|1,0,0]=3 7061 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,2,0,0,0,0|1,1,0]=4 7062 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 7063 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,2,0,0,0,0|2,0,0]=4 7064 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,2,0,0,0,0|2,0,0]=4 7065 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,2,0,0,0,0|2,0,0]=4 7066 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,2,0,0,0,0|2,0,0]=4 7067 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|1,0,1]=4 7068 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|1,0,1]=4 7069 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|1,0,1]=4 7070 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,2,0,0,0,0|1,0,1]=4 7071 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,2,0,0,0,0|1,0,1]=4 7072 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|1,0,0]=3 7073 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|1,0,0]=3 7074 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|1,0,0]=3 7075 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|1,0,0]=3 7076 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|1,0,0]=3 7077 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|1,0,0]=3 7078 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|0,0,0]=2 7079 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|0,1,0]=3 7080 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 7081 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 7082 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|1,0,0]=3 7083 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|1,0,0]=3 7084 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|1,0,0]=3 7085 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 7086 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 7087 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|1,0,0]=3 7088 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|0,0,0]=2 7089 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|0,0,0]=2 7090 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,2,0,0,0,0|1,0,1]=4 7091 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,2,0,0,0,0|1,0,1]=4 7092 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,2,0,0,0,0|1,0,1]=4 7093 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,2,0,0,0,0|1,0,1]=4 7094 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,2,0,0,0,0|1,0,1]=4 7095 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,2,0,0,0,0|0,0,2]=4 7096 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,2,0,0,0,0|0,0,2]=4 7097 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,2,0,0,0,0|1,0,1]=4 7098 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|1,0,0]=3 7099 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|1,0,0]=3 7100 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|1,0,0]=3 7101 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|1,0,0]=3 7102 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|1,0,0]=3 7103 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|1,0,0]=3 7104 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|1,0,0]=3 7105 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|1,0,0]=3 7106 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|1,0,0]=3 7107 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|1,0,0]=3 7108 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,0]=3 7109 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,0]=3 7110 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|1,0,0]=3 7111 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|0,0,0]=2 7112 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|0,0,0]=2 7113 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,2,0,0,0,0|0,0,2]=4 7114 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,2,0,0,0,0|0,0,2]=4 7115 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|1,0,0]=3 7116 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,2,0,0,0,0|1,0,1]=4 7117 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|1,0,1]=4 7118 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|1,0,1]=4 7119 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|1,0,1]=4 7120 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,2,0,0,0,0|1,0,1]=4 7121 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|1,0,0]=3 7122 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|1,0,0]=3 7123 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|0,0,0]=2 7124 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|0,1,0]=3 7125 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|0,0,0]=2 7126 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,2,0,0,0,0|2,0,0]=4 7127 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|1,0,0]=3 7128 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|1,0,0]=3 7129 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|0,0,0]=2 7130 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|0,0,0]=2 7131 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,2,0,0,0,0|2,0,0]=4 7132 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|1,0,0]=3 7133 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|1,0,0]=3 7134 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,2,0,0,0,0|2,0,0]=4 7135 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,2,0,0,0,0|2,0,0]=4 7136 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,2,0,0,0,0|2,0,0]=4 7137 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,2,0,0,0,0|2,0,0]=4 7138 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,2,0,0,0,0|2,0,0]=4 7139 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,2,0,0,0,0|2,0,0]=4 7140 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,2,0,0,0,0|2,0,0]=4 7141 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,2,0,0,0,0|2,0,0]=4 7142 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,2,0,0,0,0|2,0,0]=4 7143 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,2,0,0,0,0|2,0,0]=4 7144 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,2,0,0,0,0|2,0,0]=4 7145 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,2,0,0,0,0|2,0,0]=4 7146 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,2,0,0,0,0|2,0,0]=4 7147 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 7148 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,2,0,0,0,0|2,0,0]=4 7149 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,2,0,0,0,0|2,0,0]=4 7150 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,2,0,0,0,0|2,0,0]=4 7151 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,2,0,0,0,0|2,0,0]=4 7152 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,2,0,0,0,0|2,0,0]=4 7153 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,2,0,0,0,0|2,0,0]=4 7154 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,2,0,0,0,0|2,0,0]=4 7155 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,2,0,0,0,0|2,0,0]=4 7156 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,2,0,0,0,0|2,0,0]=4 7157 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,2,0,0,0,0|2,0,0]=4 7158 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,2,0,0,0,0|2,0,0]=4 7159 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,2,0,0,0,0|2,0,0]=4 7160 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,2,0,0,0,0|2,0,0]=4 7161 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,2,0,0,0,0|2,0,0]=4 7162 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,2,0,0,0,0|2,0,0]=4 7163 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,2,0,0,0,0|2,0,0]=4 7164 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,2,0,0,0,0|2,0,0]=4 7165 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,2,0,0,0,0|2,0,0]=4 7166 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,2,0,0,0,0|2,0,0]=4 7167 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,2,0,0,0,0|2,0,0]=4 7168 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,2,0,0,0,0|2,0,0]=4 7169 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,2,0,0,0,0|2,0,0]=4 7170 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,2,0,0,0,0|2,0,0]=4 7171 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,2,0,0,0,0|2,0,0]=4 7172 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,2,0,0,0,0|2,0,0]=4 7173 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,2,0,0,0,0|2,0,0]=4 7174 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,2,0,0,0,0|2,0,0]=4 7175 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 7176 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 7177 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 7178 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 7179 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,2,0,0,0,0|2,0,0]=4 7180 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,2,0,0,0,0|2,0,0]=4 7181 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 7182 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,2,0,0,0,0|2,0,0]=4 7183 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 7184 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,2,0,0,0,0|2,0,0]=4 7185 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,2,0,0,0,0|2,0,0]=4 7186 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 7187 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 7188 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 7189 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 7190 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,2,0,0,0,0|2,0,0]=4 7191 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,2,0,0,0,0|2,0,0]=4 7192 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,2,0,0,0,0|2,0,0]=4 7193 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,2,0,0,0,0|2,0,0]=4 7194 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,2,0,0,0,0|2,0,0]=4 7195 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,2,0,0,0,0|2,0,0]=4 7196 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,2,0,0,0,0|2,0,0]=4 7197 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,2,0,0,0,0|2,0,0]=4 7198 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 7199 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 7200 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 7201 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 7202 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,2,0,0,0,0|2,0,0]=4 7203 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,2,0,0,0,0|2,0,0]=4 7204 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,2,0,0,0,0|0,0,2]=4 7205 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|0,0,0]=2 7206 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,2,0,0,0,0|0,0,2]=4 7207 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,2,0,0,0,0|0,0,2]=4 7208 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|0,0,0]=2 7209 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|0,0,0]=2 7210 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|0,0,0]=2 7211 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|0,0,0]=2 7212 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|0,0,0]=2 7213 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|0,0,0]=2 7214 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|0,0,0]=2 7215 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|0,0,0]=2 7216 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|1,0,0]=3 7217 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|0,0,0]=2 7218 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|0,0,0]=2 7219 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|1,0,0]=3 7220 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|1,0,0]=3 7221 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|1,0,0]=3 7222 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|1,0,0]=3 7223 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|1,0,0]=3 7224 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|1,0,0]=3 7225 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|1,0,0]=3 7226 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,2,0,0,0,0|1,0,1]=4 7227 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,2,0,0,0,0|1,0,1]=4 7228 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,2,0,0,0,0|1,0,1]=4 7229 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,2,0,0,0,0|1,0,1]=4 7230 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|1,0,0]=3 7231 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|1,0,0]=3 7232 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|1,0,0]=3 7233 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|1,0,0]=3 7234 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|1,0,0]=3 7235 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|1,0,0]=3 7236 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|1,0,0]=3 7237 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|1,0,0]=3 7238 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|1,0,0]=3 7239 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|1,0,0]=3 7240 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|1,0,0]=3 7241 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|1,0,0]=3 7242 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|1,0,0]=3 7243 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|1,0,0]=3 7244 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|1,0,0]=3 7245 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|1,0,0]=3 7246 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 7247 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|1,0,0]=3 7248 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|1,0,0]=3 7249 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|1,0,0]=3 7250 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|1,0,0]=3 7251 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,2,0,0,0,0|2,0,0]=4 7252 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|1,0,0]=3 7253 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|1,0,0]=3 7254 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|1,0,0]=3 7255 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|1,0,0]=3 7256 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|1,0,0]=3 7257 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|1,0,0]=3 7258 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,2,0,0,0,0|1,0,1]=4 7259 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,2,0,0,0,0|1,0,1]=4 7260 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|1,0,0]=3 7261 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|1,0,0]=3 7262 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|1,0,0]=3 7263 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|1,0,0]=3 7264 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|1,0,0]=3 7265 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|1,0,0]=3 7266 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|1,0,0]=3 7267 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|1,0,0]=3 7268 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|1,0,0]=3 7269 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|1,0,0]=3 7270 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,2,0,0,0,0|2,0,0]=4 7271 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|1,0,0]=3 7272 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,2,0,0,0,0|2,0,0]=4 7273 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,2,0,0,0,0|2,0,0]=4 7274 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,2,0,0,0,0|2,0,0]=4 7275 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,2,0,0,0,0|2,0,0]=4 7276 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,2,0,0,0,0|2,0,0]=4 7277 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,2,0,0,0,0|0,0,2]=4 7278 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|1,0,1]=4 7279 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|1,0,1]=4 7280 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|1,0,1]=4 7281 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,2,0,0,0,0|1,0,1]=4 7282 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|1,0,0]=3 7283 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|0,0,0]=2 7284 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|0,1,0]=3 7285 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|0,0,0]=2 7286 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|0,0,0]=2 7287 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,2,0,0,0,0|2,0,0]=4 7288 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|1,0,0]=3 7289 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|1,0,0]=3 7290 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|1,0,0]=3 7291 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|1,0,0]=3 7292 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,2,0,0,0,0|1,1,0]=4 7293 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,2,0,0,0,0|1,1,0]=4 7294 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,2,0,0,0,0|1,1,0]=4 7295 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,2,0,0,0,0|1,1,0]=4 7296 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,2,0,0,0,0|2,0,0]=4 7297 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,2,0,0,0,0|2,0,0]=4 7298 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,2,0,0,0,0|2,0,0]=4 7299 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|1,0,0]=3 7300 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,2,0,0,0,0|2,0,0]=4 7301 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,2,0,0,0,0|2,0,0]=4 7302 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,2,0,0,0,0|2,0,0]=4 7303 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|1,0,0]=3 7304 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,2,0,0,0,0|1,1,0]=4 7305 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,2,0,0,0,0|1,1,0]=4 7306 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,2,0,0,0,0|1,1,0]=4 7307 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,2,0,0,0,0|1,1,0]=4 7308 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,2,0,0,0,0|2,0,0]=4 7309 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,2,0,0,0,0|2,0,0]=4 7310 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|1,0,0]=3 7311 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|1,0,0]=3 7312 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|2,0,0]=4 7313 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 7314 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 7315 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 7316 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|1,0,0]=3 7317 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 7318 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 7319 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 7320 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,2,0,0,0,0|1,1,0]=4 7321 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 7322 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,2,0,0,0,0|2,0,0]=4 7323 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,2,0,0,0,0|2,0,0]=4 7324 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,2,0,0,0,0|2,0,0]=4 7325 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,2,0,0,0,0|2,0,0]=4 7326 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,2,0,0,0,0|2,0,0]=4 7327 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|1,0,0]=3 7328 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,2,0,0,0,0|2,0,0]=4 7329 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,2,0,0,0,0|2,0,0]=4 7330 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 7331 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,2,0,0,0,0|2,0,0]=4 7332 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,2,0,0,0,0|2,0,0]=4 7333 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,2,0,0,0,0|2,0,0]=4 7334 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,2,0,0,0,0|2,0,0]=4 7335 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 7336 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,2,0,0,0,0|2,0,0]=4 7337 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,2,0,0,0,0|2,0,0]=4 7338 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|0,0,1]=3 7339 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|0,0,0]=2 7340 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|0,0,0]=2 7341 B10R0.1 COCC(=O)CCOCC#N 1458a_100000210968_200000047693 [0,2,0,0,0,0|1,0,1]=4 7342 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|1,0,0]=3 7343 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|1,0,0]=3 7344 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|1,0,0]=3 7345 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 7346 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 7347 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 7348 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|1,0,0]=3 7349 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|1,0,1]=4 7350 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|1,0,1]=4 7351 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|1,0,1]=4 7352 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,2,0,0,0,0|1,0,1]=4 7353 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|1,0,0]=3 7354 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|0,0,0]=2 7355 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|0,1,0]=3 7356 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|2,0,0]=4 7357 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|1,0,0]=3 7358 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|1,0,0]=3 7359 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|1,0,0]=3 7360 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|1,0,0]=3 7361 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,2,0,0,0,0|1,1,0]=4 7362 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,2,0,0,0,0|1,1,0]=4 7363 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,2,0,0,0,0|1,1,0]=4 7364 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,2,0,0,0,0|1,1,0]=4 7365 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,2,0,0,0,0|1,1,0]=4 7366 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,2,0,0,0,0|2,0,0]=4 7367 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,2,0,0,0,0|2,0,0]=4 7368 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,2,0,0,0,0|2,0,0]=4 7369 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|2,0,0]=4 7370 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|2,0,0]=4 7371 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,2,0,0,0,0|2,0,0]=4 7372 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,2,0,0,0,0|2,0,0]=4 7373 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 7374 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,2,0,0,0,0|2,0,0]=4 7375 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,2,0,0,0,0|0,1,1]=4 7376 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|0,1,0]=3 7377 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|0,1,0]=3 7378 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,2,0,0,0,0|1,1,0]=4 7379 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,2,0,0,0,0|1,1,0]=4 7380 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,2,0,0,0,0|1,1,0]=4 7381 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|2,0,0]=4 7382 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,2,0,0,0,0|1,1,0]=4 7383 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,2,0,0,0,0|1,1,0]=4 7384 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,2,0,0,0,0|1,1,0]=4 7385 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,2,0,0,0,0|1,1,0]=4 7386 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|2,0,0]=4 7387 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 7388 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 7389 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|2,0,0]=4 7390 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|2,0,0]=4 7391 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,2,0,0,0,0|1,0,1]=4 7392 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,2,0,0,0,0|1,0,1]=4 7393 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,2,0,0,0,0|1,0,1]=4 7394 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|1,0,1]=4 7395 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,2,0,0,0,0|2,0,0]=4 7396 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|1,0,1]=4 7397 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|1,0,1]=4 7398 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|1,0,1]=4 7399 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|1,0,1]=4 7400 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|1,0,1]=4 7401 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|1,0,1]=4 7402 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|1,0,0]=3 7403 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,2,0,0,0,0|2,0,0]=4 7404 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|1,0,0]=3 7405 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|1,0,0]=3 7406 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|1,0,0]=3 7407 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 7412 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,2,0,0,0,0|2,0,0]=4 7417 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,2,0,0,0,0|2,0,0]=4 7418 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,2,0,0,0,0|2,0,0]=4 7419 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,2,0,0,0,0|1,0,1]=4 7420 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,2,0,0,0,0|1,0,1]=4 7421 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,2,0,0,0,0|1,0,1]=4 7422 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,2,0,0,0,0|1,0,1]=4 7423 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,2,0,0,0,0|1,0,1]=4 7424 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 7425 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 7426 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,2,0,0,0,0|1,0,1]=4 7427 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,2,0,0,0,0|1,0,1]=4 7428 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,2,0,0,0,0|1,0,1]=4 7429 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,2,0,0,0,0|1,0,1]=4 7430 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,2,0,0,0,0|0,0,2]=4 7431 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,2,0,0,0,0|1,0,1]=4 7432 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,2,0,0,0,0|1,0,1]=4 7433 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,2,0,0,0,0|1,0,1]=4 7434 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,2,0,0,0,0|1,0,0]=3 7435 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|1,0,1]=4 7436 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|1,0,0]=3 7437 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,2,0,0,0,0|2,0,0]=4 7438 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,2,0,0,0,0|2,0,0]=4 7439 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,2,0,0,0,0|2,0,0]=4 7440 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,2,0,0,0,0|1,0,1]=4 7441 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,2,0,0,0,0|1,0,1]=4 7442 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|0,0,1]=3 7443 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|0,1,1]=4 7444 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,2,0,0,0,0|1,0,1]=4 7445 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,2,0,0,0,0|1,0,1]=4 7446 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|0,0,1]=3 7447 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|0,0,1]=3 7448 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|1,0,0]=3 7449 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|1,0,0]=3 7450 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,2,0,0,0,0|2,0,0]=4 7451 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,2,0,0,0,0|2,0,0]=4 7452 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,2,0,0,0,0|2,0,0]=4 7453 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,2,0,0,0,0|2,0,0]=4 7454 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 7455 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 7456 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 7457 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,2,0,0,0,0|2,0,0]=4 7458 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,2,0,0,0,0|1,0,1]=4 7459 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,2,0,0,0,0|1,0,1]=4 7460 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,2,0,0,0,0|1,0,1]=4 7461 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,2,0,0,0,0|1,0,1]=4 7462 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,2,0,0,0,0|1,0,1]=4 7463 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|1,0,0]=3 7464 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|1,0,0]=3 7465 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|1,0,0]=3 7466 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,2,0,0,0,0|0,0,0]=2 7467 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,2,0,0,0,0|0,1,0]=3 7468 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|1,0,0]=3 7469 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|1,0,0]=3 7470 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|1,0,0]=3 7471 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,2,0,0,0,0|1,0,0]=3 7472 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,2,0,0,0,0|2,0,0]=4 7473 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 7474 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 7475 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 7476 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,2,0,0,0,0|1,0,0]=3 7477 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,2,0,0,0,0|1,1,0]=4 7478 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,2,0,0,0,0|1,1,0]=4 7479 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,2,0,0,0,0|1,1,0]=4 7480 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,2,0,0,0,0|1,1,0]=4 7481 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 7482 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 7483 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 7484 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,2,0,0,0,0|2,0,0]=4 7485 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,2,0,0,0,0|2,0,0]=4 7486 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,2,0,0,0,0|2,0,0]=4 7487 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,2,0,0,0,0|2,0,0]=4 7488 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,2,0,0,0,0|2,0,0]=4 7489 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 7490 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 7491 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,2,0,0,0,0|2,0,0]=4 7492 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,2,0,0,0,0|2,0,0]=4 7493 B10R0.2 CCCN(C)CC(=O)NCO 2230a_100000747261_100000185155 [0,2,0,0,0,0|2,0,0]=4 7494 B10R0.2 CCCN(C)CC(=O)NCO 269982a_100000747261_100000185155 [0,2,0,0,0,0|2,0,0]=4 7495 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|1,0,0]=3 7496 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 7497 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 7498 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|1,0,0]=3 7499 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|1,0,0]=3 7500 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 7501 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|1,0,0]=3 7502 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,2,0,0,0,0|2,0,0]=4 7503 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,2,0,0,0,0|2,0,0]=4 7504 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 7505 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 7506 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 7507 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,2,0,0,0,0|2,0,0]=4 7508 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,2,0,0,0,0|1,0,1]=4 7509 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|1,0,1]=4 7510 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,2,0,0,0,0|2,0,0]=4 7511 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,2,0,0,0,0|2,0,0]=4 7512 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,2,0,0,0,0|2,0,0]=4 7513 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|1,0,0]=3 7514 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|1,0,1]=4 7515 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|1,0,1]=4 7516 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|1,0,1]=4 7517 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|1,0,1]=4 7518 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|1,0,1]=4 7519 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|1,0,1]=4 7520 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|1,0,1]=4 7521 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|1,0,1]=4 7522 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|1,0,1]=4 7523 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|1,0,0]=3 7524 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|1,0,0]=3 7525 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|2,0,0]=4 7526 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|2,0,0]=4 7527 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,2,0,0,0,0|2,0,0]=4 7528 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,2,0,0,0,0|2,0,0]=4 7529 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,2,0,0,0,0|2,0,0]=4 7530 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,2,0,0,0,0|2,0,0]=4 7531 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|2,0,0]=4 7532 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|2,0,0]=4 7533 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|1,0,0]=3 7534 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,2,0,0,0,0|2,0,0]=4 7535 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|1,0,0]=3 7536 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|1,0,0]=3 7537 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|1,0,0]=3 7538 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|1,0,0]=3 7539 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|1,0,0]=3 7540 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|1,0,0]=3 7541 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|1,0,0]=3 7542 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,2,0,0,0,0|2,0,0]=4 7543 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,2,0,0,0,0|2,0,0]=4 7544 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,2,0,0,0,0|2,0,0]=4 7545 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,2,0,0,0,0|2,0,0]=4 7546 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,2,0,0,0,0|2,0,0]=4 7547 B10R0.2 COCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210968 [0,2,0,0,0,0|2,0,0]=4 7548 B10R0.2 COCC(=O)N[C@H](C)CCO 527a_100000706166_100000210968 [0,2,0,0,0,0|2,0,0]=4 7549 B10R0.2 COCC(=O)N[C@H](C)COC 11a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 7550 B10R0.2 COCC(=O)N[C@H](C)COC 1626a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 7551 B10R0.2 COCC(=O)N[C@H](C)COC 240690a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 7552 B10R0.2 COCC(=O)N[C@H](C)COC 527a_100000764878_100000210968 [0,2,0,0,0,0|2,0,0]=4 7553 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|1,0,0]=3 7554 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|2,0,0]=4 7555 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|2,0,0]=4 7556 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|2,0,0]=4 7557 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|2,0,0]=4 7558 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|2,0,0]=4 7559 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|2,0,0]=4 7560 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|2,0,0]=4 7561 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|1,0,1]=4 7562 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,2,0,0,0,0|2,0,0]=4 7565 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,2,0,0,0,0|2,0,0]=4 7566 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,2,0,0,0,0|2,0,0]=4 7567 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,2,0,0,0,0|2,0,0]=4 7568 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,2,0,0,0,0|2,0,0]=4 7569 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,2,0,0,0,0|2,0,0]=4 7570 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,2,0,0,0,0|2,0,0]=4 7571 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,2,0,0,0,0|2,0,0]=4 7572 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,2,0,0,0,0|2,0,0]=4 7573 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,2,0,0,0,0|2,0,0]=4 7574 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,2,0,0,0,0|2,0,0]=4 7575 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,2,0,0,0,0|2,0,0]=4 7576 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,2,0,0,0,0|2,0,0]=4 7577 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 7578 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,2,0,0,0,0|2,0,0]=4 7579 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,2,0,0,0,0|2,0,0]=4 7582 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|2,0,0]=4 7584 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|1,0,0]=3 7585 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|1,0,0]=3 7586 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|1,0,0]=3 7587 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,2,0,0,0,0|1,0,1]=4 7588 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|1,0,0]=3 7589 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|1,0,1]=4 7590 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|1,0,1]=4 7591 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|1,0,1]=4 7592 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|1,0,0]=3 7593 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|1,0,0]=3 7594 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|1,0,0]=3 7595 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|1,0,0]=3 7596 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,2,0,0,0,0|1,0,0]=3 7597 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,2,0,0,0,0|1,0,0]=3 7598 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,2,0,0,0,0|1,0,0]=3 7599 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|1,0,0]=3 7600 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,2,0,0,0,0|2,0,0]=4 7601 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,2,0,0,0,0|0,1,0]=3 7602 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|1,0,0]=3 7603 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|1,0,0]=3 7604 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|1,0,0]=3 7605 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|1,0,0]=3 7606 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,2,0,0,0,0|1,0,1]=4 7607 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 7608 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,2,0,0,0,0|1,0,1]=4 7609 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,2,0,0,0,0|2,0,0]=4 7610 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,2,0,0,0,0|2,0,0]=4 7611 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,2,0,0,0,0|2,0,0]=4 7612 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,2,0,0,0,0|2,0,0]=4 7613 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,2,0,0,0,0|2,0,0]=4 7614 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,2,0,0,0,0|2,0,0]=4 7615 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,2,0,0,0,0|2,0,0]=4 7616 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,2,0,0,0,0|2,0,0]=4 7617 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|2,0,0]=4 7618 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 7619 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 7620 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 7621 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,2,0,0,0,0|2,0,0]=4 7622 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 7623 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,2,0,0,0,0|2,0,0]=4 7624 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,2,0,0,0,0|2,0,0]=4 7625 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 7626 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,2,0,0,0,0|2,0,0]=4 7627 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,2,0,0,0,0|2,0,0]=4 7628 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,2,0,0,0,0|2,0,0]=4 7629 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,2,0,0,0,0|2,0,0]=4 7630 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,2,0,0,0,0|2,0,0]=4 7631 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|2,0,0]=4 7632 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,2,0,0,0,0|1,1,0]=4 7633 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,2,0,0,0,0|1,1,0]=4 7634 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,2,0,0,0,0|1,1,0]=4 7635 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,2,0,0,0,0|1,1,0]=4 7636 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 7637 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 7638 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 7639 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,2,0,0,0,0|2,0,0]=4 7640 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,2,0,0,0,0|2,0,0]=4 7641 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|2,0,0]=4 7642 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,2,0,0,0,0|2,0,0]=4 7643 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,2,0,0,0,0|2,0,0]=4 7644 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,2,0,0,0,0|2,0,0]=4 7645 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|2,0,0]=4 7646 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|2,0,0]=4 7647 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,2,0,0,0,0|2,0,0]=4 7648 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 7649 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 7650 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 7651 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,2,0,0,0,0|2,0,0]=4 7652 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,2,0,0,0,0|2,0,0]=4 7653 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,2,0,0,0,0|1,0,0]=3 7654 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,2,0,0,0,0|2,0,0]=4 7655 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|2,0,0]=4 7656 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [0,2,0,0,0,0|2,0,0]=4 7657 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,2,0,0,0,0|2,0,0]=4 7658 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 7659 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 7660 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 7661 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,2,0,0,0,0|2,0,0]=4 7662 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,2,0,0,0,0|2,0,0]=4 7663 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,2,0,0,0,0|2,0,0]=4 7664 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,2,0,0,0,0|1,0,0]=3 7665 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,2,0,0,0,0|1,0,0]=3 7666 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,2,0,0,0,0|2,0,0]=4 7667 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,2,0,0,0,0|1,0,0]=3 7668 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,2,0,0,0,0|2,0,0]=4 7669 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,2,0,0,0,0|2,0,0]=4 7670 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,2,0,0,0,0|2,0,0]=4 7671 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|2,0,0]=4 7672 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|2,0,0]=4 7673 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|2,0,0]=4 7674 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,2,0,0,0,0|2,0,0]=4 7675 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,2,0,0,0,0|2,0,0]=4 7676 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|2,0,0]=4 7677 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,2,0,0,0,0|1,1,0]=4 7678 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 7679 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 7680 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 7681 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,2,0,0,0,0|2,0,0]=4 7682 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,2,0,0,0,0|2,0,0]=4 7683 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,2,0,0,0,0|2,0,0]=4 7684 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,2,0,0,0,0|2,0,0]=4 7685 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,2,0,0,0,0|2,0,0]=4 7686 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,2,0,0,0,0|2,0,0]=4 7687 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|2,0,0]=4 7688 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [0,2,0,0,0,0|2,0,0]=4 7689 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,2,0,0,0,0|2,0,0]=4 7690 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|2,0,0]=4 7691 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,2,0,0,0,0|1,1,0]=4 7692 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 7693 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 7694 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 7695 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,2,0,0,0,0|2,0,0]=4 7696 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,2,0,0,0,0|2,0,0]=4 7697 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,2,0,0,0,0|2,0,0]=4 7698 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,2,0,0,0,0|1,0,0]=3 7699 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,2,0,0,0,0|1,0,0]=3 7700 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,2,0,0,0,0|2,0,0]=4 7701 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,2,0,0,0,0|2,0,0]=4 7702 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,2,0,0,0,0|2,0,0]=4 7703 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,2,0,0,0,0|2,0,0]=4 7704 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,2,0,0,0,0|2,0,0]=4 7705 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,2,0,0,0,0|2,0,0]=4 7706 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,2,0,0,0,0|2,0,0]=4 7707 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,2,0,0,0,0|2,0,0]=4 7708 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,2,0,0,0,0|2,0,0]=4 7709 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|2,0,0]=4 7710 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [0,2,0,0,0,0|2,0,0]=4 7711 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,2,0,0,0,0|2,0,0]=4 7712 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|2,0,0]=4 7713 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,2,0,0,0,0|1,1,0]=4 7714 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 7715 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 7716 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 7717 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,2,0,0,0,0|2,0,0]=4 7718 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,2,0,0,0,0|2,0,0]=4 7719 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,2,0,0,0,0|2,0,0]=4 7720 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,2,0,0,0,0|2,0,0]=4 7721 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|2,0,0]=4 7722 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,2,0,0,0,0|2,0,0]=4 7723 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 7724 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 7725 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 7726 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,2,0,0,0,0|2,0,0]=4 7727 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,2,0,0,0,0|2,0,0]=4 7728 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,2,0,0,0,0|2,0,0]=4 7729 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|2,0,0]=4 7730 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|2,0,0]=4 7731 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,2,0,0,0,0|1,1,0]=4 7732 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,2,0,0,0,0|1,1,0]=4 7733 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [0,2,0,0,0,0|2,0,0]=4 7734 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,2,0,0,0,0|1,0,1]=4 7735 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,2,0,0,0,0|1,0,1]=4 7736 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,2,0,0,0,0|1,0,1]=4 7737 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|1,0,1]=4 7738 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|1,0,1]=4 7739 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|1,0,1]=4 7740 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|1,0,1]=4 7741 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|1,0,1]=4 7742 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|1,0,1]=4 7743 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|1,0,0]=3 7744 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|1,0,0]=3 7745 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 7746 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 7747 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 7748 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,2,0,0,0,0|2,0,0]=4 7749 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,2,0,0,0,0|1,0,1]=4 7750 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|1,0,1]=4 7751 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|1,0,1]=4 7752 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|1,0,1]=4 7753 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|1,0,1]=4 7754 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,2,0,0,0,0|1,0,1]=4 7755 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,2,0,0,0,0|1,0,1]=4 7756 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|1,0,0]=3 7757 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|1,0,0]=3 7758 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|1,0,0]=3 7759 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|1,0,0]=3 7760 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|1,0,0]=3 7761 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|0,0,0]=2 7762 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|0,1,0]=3 7763 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 7764 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 7765 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|1,0,0]=3 7766 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|1,0,0]=3 7767 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,2,0,0,0,0|1,0,1]=4 7768 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|1,0,0]=3 7769 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|1,0,0]=3 7770 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|1,0,0]=3 7771 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|1,0,0]=3 7772 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|1,0,0]=3 7773 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|1,0,0]=3 7774 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 7775 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 7776 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 7777 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 7778 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|2,0,0]=4 7779 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 7780 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,2,0,0,0,0|2,0,0]=4 7781 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 7782 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 7783 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 7784 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 7785 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|1,0,0]=3 7786 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|1,0,0]=3 7787 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 7788 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 7789 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 7790 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,2,0,0,0,0|1,1,0]=4 7791 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,2,0,0,0,0|1,1,0]=4 7792 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,2,0,0,0,0|1,1,0]=4 7793 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,2,0,0,0,0|1,1,0]=4 7794 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,2,0,0,0,0|1,1,0]=4 7795 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 7796 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 7797 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 7798 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 7799 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,1]=4 7800 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 7801 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,2,0,0,0,0|2,0,0]=4 7802 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,2,0,0,0,0|1,1,0]=4 7803 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,2,0,0,0,0|2,0,0]=4 7804 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,2,0,0,0,0|1,0,0]=3 7805 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,2,0,0,0,0|1,0,0]=3 7806 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,2,0,0,0,0|1,0,0]=3 7807 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,2,0,0,0,0|2,0,0]=4 7808 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,2,0,0,0,0|2,0,0]=4 7809 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,2,0,0,0,0|1,0,0]=3 7810 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,2,0,0,0,0|1,0,0]=3 7811 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,2,0,0,0,0|1,0,0]=3 7812 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,2,0,0,0,0|1,0,0]=3 7813 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,2,0,0,0,0|2,0,0]=4 7814 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|1,0,1]=4 7815 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|1,0,1]=4 7816 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,2,0,0,0,0|2,0,0]=4 7817 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,2,0,0,0,0|2,0,0]=4 7818 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,2,0,0,0,0|2,0,0]=4 7819 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 7820 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,2,0,0,0,0|2,0,0]=4 7821 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,2,0,0,0,0|2,0,0]=4 7822 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,2,0,0,0,0|2,0,0]=4 7823 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,2,0,0,0,0|2,0,0]=4 7824 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,2,0,0,0,0|2,0,0]=4 7825 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,2,0,0,0,0|2,0,0]=4 7826 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,2,0,0,0,0|2,0,0]=4 7827 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,2,0,0,0,0|2,0,0]=4 7828 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,2,0,0,0,0|2,0,0]=4 7829 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,2,0,0,0,0|2,0,0]=4 7830 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,2,0,0,0,0|2,0,0]=4 7831 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,2,0,0,0,0|2,0,0]=4 7832 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 7833 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,2,0,0,0,0|2,0,0]=4 7834 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,2,0,0,0,0|2,0,0]=4 7835 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,2,0,0,0,0|2,0,0]=4 7836 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,2,0,0,0,0|2,0,0]=4 7837 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,2,0,0,0,0|2,0,0]=4 7838 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,2,0,0,0,0|2,0,0]=4 7839 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,2,0,0,0,0|2,0,0]=4 7840 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,2,0,0,0,0|2,0,0]=4 7841 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,2,0,0,0,0|2,0,0]=4 7842 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,2,0,0,0,0|2,0,0]=4 7843 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,2,0,0,0,0|2,0,0]=4 7844 B10R0.19 CNNC(=O)C(O)CCSC 22a_100016993582_100000685904 [0,2,0,0,0,0|2,0,0]=4 7845 B10R0.19 COCC(=O)N(C)CCCO 240690a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 7846 B10R0.19 COCC(=O)N(C)CCCO 527a_100000213112_100000210968 [0,2,0,0,0,0|2,0,0]=4 7847 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7848 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7849 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7850 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,2,0,0,0,0|2,0,0]=4 7851 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7852 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7853 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7854 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,2,0,0,0,0|2,0,0]=4 7855 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,2,0,0,0,0|2,0,0]=4 7856 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|2,0,0]=4 7857 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [0,2,0,0,0,0|1,0,1]=4 7858 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [0,2,0,0,0,0|1,0,1]=4 7859 B10R0.24 C#CC(CCCCC)OCF 34a_100011216489_100015361967 [0,2,0,0,0,0|1,0,1]=4 7860 B10R0.24 C#CC(CCCCC)OCF 7a_100011216489_100015361967 [0,2,0,0,0,0|1,0,1]=4 7861 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,2,0,0,0,0|1,0,1]=4 7862 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,2,0,0,0,0|1,0,1]=4 7863 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [0,2,0,0,0,0|1,0,1]=4 7864 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [0,2,0,0,0,0|1,0,1]=4 7865 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,2,0,0,0,0|1,0,1]=4 7866 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,2,0,0,0,0|1,0,1]=4 7867 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,2,0,0,0,0|1,0,1]=4 7868 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,2,0,0,0,0|1,0,1]=4 7869 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,2,0,0,0,0|1,0,1]=4 7870 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,2,0,0,0,0|1,0,1]=4 7871 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,2,0,0,0,0|1,0,1]=4 7872 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,2,0,0,0,0|1,0,1]=4 7873 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,2,0,0,0,0|1,0,1]=4 7874 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,2,0,0,0,0|1,0,1]=4 7875 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,2,0,0,0,0|1,0,1]=4 7876 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,2,0,0,0,0|1,0,1]=4 7877 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|1,0,1]=4 7878 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|1,0,0]=3 7879 B10R0.83 C#CC(C)C(=O)CCCCO 1458a_100000695505_200000035995 [0,2,0,0,0,0|2,0,0]=4 7880 B10R0.83 C#CC(C)C(=O)CCCOC 1458a_100000741012_200000035995 [0,2,0,0,0,0|2,0,0]=4 7881 B10R0.83 C#CC(C)C(=O)CCCSC 1458a_100000173376_200000035995 [0,2,0,0,0,0|2,0,0]=4 7882 B10R0.83 C#CC(C)C(=O)CCOCC 1458a_100000749530_200000035995 [0,2,0,0,0,0|2,0,0]=4 7883 B10R0.83 C#CC(C)C(=O)CCSCC 1458a_100000230768_200000035995 [0,2,0,0,0,0|2,0,0]=4 7884 B10R0.83 C#CC(C)C(=O)COCCC 1458a_100000745993_200000035995 [0,2,0,0,0,0|2,0,0]=4 7885 B10R0.83 C#CC(C)C(=O)CSCCC 1458a_100000217233_200000035995 [0,2,0,0,0,0|2,0,0]=4 7886 B10R0.83 C#CCCCC(=O)C(C)OC 1458a_100000743197_100000731252 [0,2,0,0,0,0|0,0,2]=4 7887 B10R0.83 C#CCCNC(C)C(=O)OC 34a_100000755551_100000211248 [0,2,0,0,0,0|0,0,2]=4 7888 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215400_100000688953 [0,2,0,0,0,0|0,0,2]=4 7889 B10R0.83 C#CCCOC(C)C(=O)OC 34a_100011215631_100000211248 [0,2,0,0,0,0|0,0,2]=4 7890 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000211248_100000688953 [0,2,0,0,0,0|0,0,2]=4 7891 B10R0.83 C#CCCSC(C)C(=O)OC 62a_100000688953_100000211248 [0,2,0,0,0,0|0,0,2]=4 7892 B10R0.83 C#CCNCC(C)C(=O)OC 34a_100000212058_100000698445 [0,2,0,0,0,0|0,0,2]=4 7893 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000210247_100000698445 [0,2,0,0,0,0|0,0,2]=4 7894 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000749362_100000184674 [0,2,0,0,0,0|0,0,2]=4 7895 B10R0.83 C#CCOCC(C)C(=O)OC 7a_100000749362_100000038162 [0,2,0,0,0,0|0,0,2]=4 7896 B10R0.83 C#CCOCC(F)C(=O)OC 34a_200009849844_100000184674 [0,2,0,0,0,0|0,0,2]=4 7897 B10R0.83 C#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000184674 [0,2,0,0,0,0|0,0,2]=4 7898 B10R0.83 C#CCSCC(C)C(=O)OC 62a_100000038162_100000698445 [0,2,0,0,0,0|0,0,2]=4 7899 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|1,0,0]=3 7900 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [0,2,0,0,0,0|2,0,0]=4 7901 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [0,2,0,0,0,0|2,0,0]=4 7902 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,2,0,0,0,0|2,0,0]=4 7903 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,2,0,0,0,0|2,0,0]=4 7904 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|2,0,0]=4 7905 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,2,0,0,0,0|2,0,0]=4 7906 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,2,0,0,0,0|2,0,0]=4 7907 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,2,0,0,0,0|2,0,0]=4 7908 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100011215400_100102629194 [0,2,0,0,0,0|0,0,2]=4 7909 B10R0.83 C/C=C/COC(C)C(=O)OC 34a_100016270725_100000211248 [0,2,0,0,0,0|0,0,2]=4 7910 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100000211248_100102629194 [0,2,0,0,0,0|0,0,2]=4 7911 B10R0.83 C/C=C/CSC(C)C(=O)OC 62a_100102629194_100000211248 [0,2,0,0,0,0|0,0,2]=4 7912 B10R0.83 C=C(CNCCF)C(=O)OC 34a_100000724931_100009813391 [0,2,0,0,0,0|1,0,1]=4 7913 B10R0.83 C=C(CNCCO)C(=O)OC 34a_100016990907_100009813391 [0,2,0,0,0,0|1,0,1]=4 7914 B10R0.83 C=C(COCCBr)C(=O)OC 34a_100000211926_100009813391 [0,2,0,0,0,0|1,0,1]=4 7915 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|0,0,1]=3 7916 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [0,2,0,0,0,0|1,0,1]=4 7917 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|0,0,1]=3 7918 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|0,0,1]=3 7919 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100009813391_100011217306 [0,2,0,0,0,0|1,0,1]=4 7920 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100011217306_100009813391 [0,2,0,0,0,0|1,0,1]=4 7921 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [0,2,0,0,0,0|1,0,1]=4 7922 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [0,2,0,0,0,0|1,0,1]=4 7923 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100000766300_100009813391 [0,2,0,0,0,0|1,0,1]=4 7924 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100009813391_100000766300 [0,2,0,0,0,0|1,0,1]=4 7925 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100009813391_100011218213 [0,2,0,0,0,0|1,0,1]=4 7926 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100011218213_100009813391 [0,2,0,0,0,0|1,0,1]=4 7927 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|1,0,1]=4 7928 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,2,0,0,0,0|1,0,1]=4 7929 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,2,0,0,0,0|1,0,1]=4 7930 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|1,0,0]=3 7931 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,2,0,0,0,0|2,0,0]=4 7932 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|2,0,0]=4 7933 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|2,0,0]=4 7934 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|2,0,0]=4 7935 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,2,0,0,0,0|2,0,0]=4 7936 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 7937 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 7938 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 7939 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|2,0,0]=4 7940 B10R0.83 C=CCCCC(=O)C(C)OC 1458a_100000743197_100000757094 [0,2,0,0,0,0|0,0,2]=4 7941 B10R0.83 C=CCCNC(C)C(=O)OC 2230a_100015191253_100000211248 [0,2,0,0,0,0|0,0,2]=4 7942 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011205117_100000211248 [0,2,0,0,0,0|0,0,2]=4 7943 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011215400_100000754431 [0,2,0,0,0,0|0,0,2]=4 7944 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000211248_100000754431 [0,2,0,0,0,0|0,0,2]=4 7945 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000754431_100000211248 [0,2,0,0,0,0|0,0,2]=4 7946 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,2,0,0,0,0|0,0,2]=4 7947 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,2,0,0,0,0|0,0,2]=4 7948 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,2,0,0,0,0|0,0,2]=4 7949 B10R0.83 C=CCOCC(F)C(=O)OC 34a_200009849844_100015514636 [0,2,0,0,0,0|0,0,2]=4 7950 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,2,0,0,0,0|0,0,2]=4 7951 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,2,0,0,0,0|0,0,2]=4 7952 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,2,0,0,0,0|0,0,2]=4 7953 B10R0.83 CC#CCNC(C)C(=O)OC 2230a_100000685387_100000211248 [0,2,0,0,0,0|0,0,2]=4 7954 B10R0.83 CC#CCNC(C)C(=O)OC 34a_100000685387_100000211248 [0,2,0,0,0,0|0,0,2]=4 7955 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100000761923_100000211248 [0,2,0,0,0,0|0,0,2]=4 7956 B10R0.83 CC#CCOC(C)C(=O)OC 34a_100011215400_100000748600 [0,2,0,0,0,0|0,0,2]=4 7957 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000211248_100000748600 [0,2,0,0,0,0|0,0,2]=4 7958 B10R0.83 CC#CCSC(C)C(=O)OC 62a_100000748600_100000211248 [0,2,0,0,0,0|0,0,2]=4 7959 B10R0.83 CC(C#N)C(=O)CCCCF 1458a_100000753662_100000729493 [0,2,0,0,0,0|2,0,0]=4 7960 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000695505_100000703298 [0,2,0,0,0,0|2,0,0]=4 7961 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000753662_100000210776 [0,2,0,0,0,0|2,0,0]=4 7962 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [0,2,0,0,0,0|0,0,2]=4 7963 B10R0.83 CC=CCOC(C)C(=O)OC 34a_100011215400_100000070051 [0,2,0,0,0,0|0,0,2]=4 7964 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000070051_100000211248 [0,2,0,0,0,0|0,0,2]=4 7965 B10R0.83 CC=CCSC(C)C(=O)OC 62a_100000211248_100000070051 [0,2,0,0,0,0|0,0,2]=4 7966 B10R0.83 CCC#CCC(=O)C(C)OC 1458a_100000743197_100009813939 [0,2,0,0,0,0|0,0,2]=4 7967 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [0,2,0,0,0,0|2,0,0]=4 7968 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,2,0,0,0,0|2,0,0]=4 7969 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,2,0,0,0,0|2,0,0]=4 7970 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,2,0,0,0,0|2,0,0]=4 7971 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [0,2,0,0,0,0|2,0,0]=4 7972 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [0,2,0,0,0,0|2,0,0]=4 7973 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,2,0,0,0,0|2,0,0]=4 7974 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,2,0,0,0,0|2,0,0]=4 7975 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,2,0,0,0,0|2,0,0]=4 7976 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,2,0,0,0,0|2,0,0]=4 7977 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,2,0,0,0,0|2,0,0]=4 7978 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,2,0,0,0,0|2,0,0]=4 7979 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,2,0,0,0,0|2,0,0]=4 7980 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 7981 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 7982 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 7983 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 7984 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|2,0,0]=4 7985 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|2,0,0]=4 7986 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|2,0,0]=4 7987 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|2,0,0]=4 7988 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|2,0,0]=4 7989 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|2,0,0]=4 7990 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|2,0,0]=4 7991 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|2,0,0]=4 7992 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|2,0,0]=4 7993 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|1,0,0]=3 7994 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|1,0,0]=3 7995 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|1,0,0]=3 7996 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,0]=3 7997 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,0]=3 7998 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,0]=2 7999 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|0,1,0]=3 8000 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|1,0,0]=3 8001 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|1,0,0]=3 8002 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 8003 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 8004 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 8005 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|1,0,0]=3 8006 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,0]=3 8007 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,0]=3 8008 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|2,0,0]=4 8009 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|2,0,0]=4 8010 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,0]=3 8011 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 8012 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 8013 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 8014 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 8015 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 8016 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 8017 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|1,0,0]=3 8018 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 8019 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 8020 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|1,0,0]=3 8021 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|1,0,0]=3 8022 B10R0.83 CCCCCN(C)C(C)OC 269982a_100000223495_100009879195 [0,2,0,0,0,0|1,0,1]=4 8023 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 8024 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 8025 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|1,0,1]=4 8026 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 8027 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 8028 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 8029 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|0,0,1]=3 8030 B10R0.83 CCCCNC(=O)C(C)C#N 11a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 8031 B10R0.83 CCCCNC(=O)C(C)C#N 1626a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 8032 B10R0.83 CCCCNC(=O)C(C)C#N 240690a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 8033 B10R0.83 CCCCNC(=O)C(C)C#N 527a_100000102301_100000753662 [0,2,0,0,0,0|2,0,0]=4 8034 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 8035 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 8036 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 8037 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|2,0,0]=4 8038 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 8039 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|2,0,0]=4 8040 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|2,0,0]=4 8041 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 8042 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 8043 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 8044 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|1,0,0]=3 8045 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|1,0,0]=3 8046 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 8047 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 8048 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 8049 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|1,1,0]=4 8050 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|1,1,0]=4 8051 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|1,1,0]=4 8052 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|1,1,0]=4 8053 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|1,1,0]=4 8054 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|2,0,0]=4 8055 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|2,0,0]=4 8056 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 8057 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 8058 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|1,0,0]=3 8059 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|1,0,0]=3 8060 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|1,0,0]=3 8061 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|1,0,0]=3 8062 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|0,0,0]=2 8063 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|0,0,0]=2 8064 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|1,0,0]=3 8065 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|1,0,0]=3 8066 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|1,0,0]=3 8067 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|1,0,0]=3 8068 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,2,0,0,0,0|2,0,0]=4 8069 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,2,0,0,0,0|2,0,0]=4 8070 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,2,0,0,0,0|2,0,0]=4 8071 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 8072 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|1,0,0]=3 8073 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|1,0,0]=3 8074 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 8075 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|1,0,0]=3 8076 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,2,0,0,0,0|1,1,0]=4 8077 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,2,0,0,0,0|1,1,0]=4 8078 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,2,0,0,0,0|1,1,0]=4 8079 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,2,0,0,0,0|1,1,0]=4 8080 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|1,0,0]=3 8081 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|1,0,0]=3 8082 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|1,0,0]=3 8083 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,2,0,0,0,0|2,0,0]=4 8084 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|0,0,0]=2 8085 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|0,0,0]=2 8086 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|0,0,0]=2 8087 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|1,0,0]=3 8088 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|1,0,0]=3 8089 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|1,0,0]=3 8090 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|1,0,0]=3 8091 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|1,0,0]=3 8092 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|2,0,0]=4 8093 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|1,0,0]=3 8094 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 8095 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 8096 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|1,0,0]=3 8097 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|1,0,0]=3 8098 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|1,0,0]=3 8099 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|0,0,0]=2 8100 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|0,0,0]=2 8101 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|1,0,0]=3 8102 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|1,0,0]=3 8103 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|1,0,0]=3 8104 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 8105 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|1,0,0]=3 8106 B10R0.83 CCCNN=C(C)C(=O)OC 4a_100000740057_100000211753 [0,2,0,0,0,0|1,0,1]=4 8107 B10R0.83 CCCNNC(=O)C(C)OC 22a_100000740057_100000743197 [0,2,0,0,0,0|2,0,0]=4 8108 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|0,0,1]=3 8109 B10R0.83 CCCOCC(=O)C(C)C#N 1458a_100000745993_100000703298 [0,2,0,0,0,0|2,0,0]=4 8110 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|2,0,0]=4 8111 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 8112 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 8113 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 8114 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|2,0,0]=4 8115 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 8116 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|0,0,0]=2 8117 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|0,0,0]=2 8118 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|0,0,0]=2 8119 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|0,0,0]=2 8120 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|2,0,0]=4 8121 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|0,0,0]=2 8122 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|0,0,1]=3 8123 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|0,0,1]=3 8124 B10R0.83 CCCSCC(=O)C(C)C#N 1458a_100000217233_100000703298 [0,2,0,0,0,0|2,0,0]=4 8125 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|2,0,0]=4 8126 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 8127 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 8128 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 8129 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 8130 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|2,0,0]=4 8131 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|2,0,0]=4 8132 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,2,0,0,0,0|1,0,0]=3 8133 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,2,0,0,0,0|1,0,0]=3 8134 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|0,0,0]=2 8135 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|0,0,0]=2 8136 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|2,0,0]=4 8137 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 8138 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 8139 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 8140 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 8141 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 8142 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 8143 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 8144 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 8145 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|0,0,0]=2 8146 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|1,0,1]=4 8147 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000749530_100000703298 [0,2,0,0,0,0|2,0,0]=4 8148 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000753662_100011215890 [0,2,0,0,0,0|2,0,0]=4 8149 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|2,0,0]=4 8150 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|2,0,0]=4 8151 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|1,0,0]=3 8152 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,2,0,0,0,0|1,1,0]=4 8153 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|2,0,0]=4 8154 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|2,0,0]=4 8155 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 8156 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 8157 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 8158 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 8159 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|0,0,0]=2 8160 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [0,2,0,0,0,0|2,0,0]=4 8161 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [0,2,0,0,0,0|2,0,0]=4 8162 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000209862_100000739092 [0,2,0,0,0,0|2,0,0]=4 8163 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000739092_100000731044 [0,2,0,0,0,0|2,0,0]=4 8164 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|1,0,0]=3 8165 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|1,0,0]=3 8166 B10R0.83 CCOCSC(F)C(=O)NC 62a_100000739092_100009813575 [0,2,0,0,0,0|2,0,0]=4 8167 B10R0.83 CCOCSC(F)C(=O)NC 62a_100009813575_100000739092 [0,2,0,0,0,0|2,0,0]=4 8168 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|1,0,1]=4 8169 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000230768_100000703298 [0,2,0,0,0,0|2,0,0]=4 8170 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000753662_100000757381 [0,2,0,0,0,0|2,0,0]=4 8171 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|2,0,0]=4 8172 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|2,0,0]=4 8173 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|1,0,0]=3 8174 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|1,1,0]=4 8175 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|2,0,0]=4 8176 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|2,0,0]=4 8177 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 8178 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 8179 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 8180 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 8181 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|0,0,0]=2 8182 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|0,0,0]=2 8183 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|1,0,1]=4 8184 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|1,0,1]=4 8185 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|1,0,1]=4 8186 B10R0.83 CNC(=O)C(C)CNCCF 2230a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 8187 B10R0.83 CNC(=O)C(C)CNCCF 34a_100015187722_100011217306 [0,2,0,0,0,0|2,0,0]=4 8188 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 8189 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,2,0,0,0,0|2,0,0]=4 8190 B10R0.83 CNC(=O)C(C)CNCOC 2230a_100015187722_100000766300 [0,2,0,0,0,0|2,0,0]=4 8191 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 8192 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,2,0,0,0,0|2,0,0]=4 8193 B10R0.83 CNC(=O)C(C)NCCCF 2230a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 8194 B10R0.83 CNC(=O)C(C)NCCCF 34a_100015189416_100000731044 [0,2,0,0,0,0|2,0,0]=4 8195 B10R0.83 CNC(=O)C(C)NCCOC 2230a_100000209980_100000731044 [0,2,0,0,0,0|2,0,0]=4 8196 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,2,0,0,0,0|2,0,0]=4 8197 B10R0.83 CNC(=O)C(C)OCCCBr 34a_100011217188_100000731044 [0,2,0,0,0,0|2,0,0]=4 8198 B10R0.83 CNC(=O)C(C)OCCCCl 34a_100000230001_100000731044 [0,2,0,0,0,0|2,0,0]=4 8199 B10R0.83 CNC(=O)C(C)OCCCF 34a_100000759539_100000731044 [0,2,0,0,0,0|2,0,0]=4 8200 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,2,0,0,0,0|2,0,0]=4 8201 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,2,0,0,0,0|2,0,0]=4 8202 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,2,0,0,0,0|2,0,0]=4 8203 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,2,0,0,0,0|2,0,0]=4 8204 B10R0.83 CNC(=O)C(C)SCCCF 62a_100000209862_100011934791 [0,2,0,0,0,0|2,0,0]=4 8205 B10R0.83 CNC(=O)C(C)SCCCF 62a_100011934791_100000731044 [0,2,0,0,0,0|2,0,0]=4 8206 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,2,0,0,0,0|2,0,0]=4 8207 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,2,0,0,0,0|2,0,0]=4 8208 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000209862_100000233755 [0,2,0,0,0,0|2,0,0]=4 8209 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000233755_100000731044 [0,2,0,0,0,0|2,0,0]=4 8210 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,2,0,0,0,0|2,0,0]=4 8211 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,2,0,0,0,0|2,0,0]=4 8212 B10R0.83 CNC(=O)C(F)NCCCF 2230a_100015189416_100009813575 [0,2,0,0,0,0|2,0,0]=4 8213 B10R0.83 CNC(=O)C(F)NCCCF 34a_100015189416_100009813575 [0,2,0,0,0,0|2,0,0]=4 8214 B10R0.83 CNC(=O)C(F)NCCOC 2230a_100000209980_100009813575 [0,2,0,0,0,0|2,0,0]=4 8215 B10R0.83 CNC(=O)C(F)NCCSC 2230a_100020590264_100009813575 [0,2,0,0,0,0|2,0,0]=4 8216 B10R0.83 CNC(=O)C(F)OCCCBr 34a_100011217188_100009813575 [0,2,0,0,0,0|2,0,0]=4 8217 B10R0.83 CNC(=O)C(F)OCCCCl 34a_100000230001_100009813575 [0,2,0,0,0,0|2,0,0]=4 8218 B10R0.83 CNC(=O)C(F)OCCCF 34a_100000759539_100009813575 [0,2,0,0,0,0|2,0,0]=4 8219 B10R0.83 CNC(=O)C(F)OCCCN 34a_100000182051_100009813575 [0,2,0,0,0,0|2,0,0]=4 8220 B10R0.83 CNC(=O)C(F)OCCOC 34a_100000210237_100009813575 [0,2,0,0,0,0|2,0,0]=4 8221 B10R0.83 CNC(=O)C(F)OCCSC 34a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 8222 B10R0.83 CNC(=O)C(F)OCCSC 7a_100000230434_100009813575 [0,2,0,0,0,0|2,0,0]=4 8223 B10R0.83 CNC(=O)C(F)SCCCF 62a_100009813575_100011934791 [0,2,0,0,0,0|2,0,0]=4 8224 B10R0.83 CNC(=O)C(F)SCCCF 62a_100011934791_100009813575 [0,2,0,0,0,0|2,0,0]=4 8225 B10R0.83 CNC(=O)C(F)SCCCO 62a_100009813575_100011215043 [0,2,0,0,0,0|2,0,0]=4 8226 B10R0.83 CNC(=O)C(F)SCCCO 62a_100011215043_100009813575 [0,2,0,0,0,0|2,0,0]=4 8227 B10R0.83 CNC(=O)C(F)SCCOC 62a_100000233755_100009813575 [0,2,0,0,0,0|2,0,0]=4 8228 B10R0.83 CNC(=O)C(F)SCCOC 62a_100009813575_100000233755 [0,2,0,0,0,0|2,0,0]=4 8229 B10R0.83 CNC(=O)C(F)SCCSC 62a_100000212216_100009813575 [0,2,0,0,0,0|2,0,0]=4 8230 B10R0.83 CNC(=O)C(F)SCCSC 62a_100009813575_100000751147 [0,2,0,0,0,0|2,0,0]=4 8231 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 8232 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 8233 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 8234 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 8235 B10R0.83 CNC(=O)[C@@H](C)NCCCF 2230a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 8236 B10R0.83 CNC(=O)[C@@H](C)NCCCF 34a_100000684985_100011934791 [0,2,0,0,0,0|2,0,0]=4 8237 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 8238 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,2,0,0,0,0|2,0,0]=4 8239 B10R0.83 CNC(=O)[C@@H](C)NCCOC 2230a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 8240 B10R0.83 CNC(=O)[C@@H](C)NCCOC 34a_100000684985_100011201679 [0,2,0,0,0,0|2,0,0]=4 8241 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,2,0,0,0,0|2,0,0]=4 8242 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,2,0,0,0,0|2,0,0]=4 8243 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,2,0,0,0,0|1,0,0]=3 8244 B10R0.83 COC(=O)C(=O)CNCCF 34a_100000724931_100011610305 [0,2,0,0,0,0|1,0,1]=4 8245 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|1,0,1]=4 8246 B10R0.83 COC(=O)C(=O)COCCBr 34a_100000211926_100011610305 [0,2,0,0,0,0|1,0,1]=4 8247 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,2,0,0,0,0|1,0,1]=4 8248 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [0,2,0,0,0,0|1,0,1]=4 8249 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [0,2,0,0,0,0|1,0,1]=4 8250 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,2,0,0,0,0|1,0,1]=4 8251 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,2,0,0,0,0|1,0,1]=4 8252 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|1,0,1]=4 8253 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|1,0,1]=4 8254 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [0,2,0,0,0,0|1,0,1]=4 8255 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [0,2,0,0,0,0|1,0,1]=4 8256 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [0,2,0,0,0,0|1,0,1]=4 8257 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [0,2,0,0,0,0|1,0,1]=4 8258 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|1,0,1]=4 8259 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|1,0,1]=4 8260 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|1,0,1]=4 8261 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|1,0,1]=4 8262 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|1,0,1]=4 8263 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|1,0,1]=4 8264 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|1,0,0]=3 8265 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|1,0,0]=3 8266 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|1,0,0]=3 8267 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|1,0,0]=3 8268 B10R0.83 COC(=O)C(C)COCC#N 7a_100000749362_100011215382 [0,2,0,0,0,0|1,0,1]=4 8269 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [0,2,0,0,0,0|1,0,1]=4 8270 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [0,2,0,0,0,0|1,0,1]=4 8271 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|1,0,0]=3 8272 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|1,0,0]=3 8273 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|1,0,0]=3 8274 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|1,0,0]=3 8275 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|1,0,0]=3 8276 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|1,0,0]=3 8277 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|1,0,0]=3 8278 B10R0.83 COC(=O)C(C)CSCC#N 62a_100000698445_100011215382 [0,2,0,0,0,0|1,0,1]=4 8279 B10R0.83 COC(=O)C(C)CSCC#N 62a_100011215382_100000698445 [0,2,0,0,0,0|1,0,1]=4 8280 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [0,2,0,0,0,0|1,0,1]=4 8281 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [0,2,0,0,0,0|1,0,1]=4 8282 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|1,0,0]=3 8283 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|1,0,0]=3 8284 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|1,0,0]=3 8285 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|1,0,0]=3 8286 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|1,0,0]=3 8287 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|1,0,0]=3 8288 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|1,0,0]=3 8289 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|1,0,0]=3 8290 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|1,0,0]=3 8291 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|1,0,0]=3 8292 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|1,0,0]=3 8293 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|1,0,0]=3 8294 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|1,0,0]=3 8295 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|1,0,0]=3 8296 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|1,0,0]=3 8297 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,2,0,0,0,0|2,0,0]=4 8298 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|1,0,0]=3 8299 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|1,0,0]=3 8300 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|1,0,0]=3 8301 B10R0.83 COC(=O)C(C)SCCC#N 62a_100000211248_100011215226 [0,2,0,0,0,0|1,0,1]=4 8302 B10R0.83 COC(=O)C(C)SCCC#N 62a_100011215226_100000211248 [0,2,0,0,0,0|1,0,1]=4 8303 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|1,0,0]=3 8304 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|1,0,0]=3 8305 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|1,0,0]=3 8306 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|1,0,0]=3 8307 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|1,0,0]=3 8308 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|1,0,0]=3 8309 B10R0.83 COC(=O)C(F)COCC=O 34a_200009849844_200009817547 [0,2,0,0,0,0|1,0,1]=4 8310 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|1,0,0]=3 8311 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|1,0,0]=3 8312 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|1,0,0]=3 8313 B10R0.83 COC(=O)[C@H](N)COCC=O 34a_100000003586_200009817547 [0,2,0,0,0,0|1,0,1]=4 8314 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|1,0,0]=3 8315 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|1,0,0]=3 8316 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|1,0,0]=3 8317 B10R0.83 COC(C)C(=O)CCCC#N 1458a_100000743197_100000211468 [0,2,0,0,0,0|1,0,1]=4 8318 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|1,0,0]=3 8319 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|1,0,0]=3 8320 B10R0.83 COC(C)C(=O)NCCCF 11a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 8321 B10R0.83 COC(C)C(=O)NCCCF 1626a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 8322 B10R0.83 COC(C)C(=O)NCCCF 240690a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 8323 B10R0.83 COC(C)C(=O)NCCCF 527a_100015189416_100000743197 [0,2,0,0,0,0|2,0,0]=4 8324 B10R0.83 COC(C)C(=O)NCCCO 240690a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 8325 B10R0.83 COC(C)C(=O)NCCCO 527a_100000182051_100000743197 [0,2,0,0,0,0|2,0,0]=4 8326 B10R0.83 COC(C)C(=O)NCCSC 11a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 8327 B10R0.83 COC(C)C(=O)NCCSC 1626a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 8328 B10R0.83 COC(C)C(=O)NCCSC 240690a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 8329 B10R0.83 COC(C)C(=O)NCCSC 527a_100020590264_100000743197 [0,2,0,0,0,0|2,0,0]=4 8330 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000741012_100000703298 [0,2,0,0,0,0|2,0,0]=4 8331 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000753662_100000740836 [0,2,0,0,0,0|2,0,0]=4 8332 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|1,0,0]=3 8333 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|1,1,0]=4 8334 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|1,0,1]=4 8336 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|1,0,1]=4 8337 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|1,0,1]=4 8338 B10R0.83 COCCNC(=O)C(C)OC 1626a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 8339 B10R0.83 COCCNC(=O)C(C)OC 240690a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 8340 B10R0.83 COCCNC(=O)C(C)OC 527a_100000209980_100000743197 [0,2,0,0,0,0|2,0,0]=4 8341 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|1,0,0]=3 8342 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|1,0,0]=3 8343 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|1,0,0]=3 8344 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|1,0,0]=3 8345 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|1,0,0]=3 8346 B10R0.83 COCNCC(=O)N(C)OC 2230a_100015207273_100000766300 [0,2,0,0,0,0|2,0,0]=4 8347 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [0,2,0,0,0,0|1,0,1]=4 8348 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [0,2,0,0,0,0|1,0,1]=4 8349 B10R0.83 COCSCC(=O)N(C)OC 62a_100000764215_100000766300 [0,2,0,0,0,0|2,0,0]=4 8350 B10R0.83 COCSCC(=O)N(C)OC 62a_100000766300_100000764215 [0,2,0,0,0,0|2,0,0]=4 8351 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|1,0,0]=3 8352 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|1,0,0]=3 8353 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|1,0,0]=3 8354 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|1,0,0]=3 8355 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|1,0,0]=3 8356 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|1,0,0]=3 8357 B10R0.83 CON(C)C(=O)CNCCF 2230a_100015207273_100011217306 [0,2,0,0,0,0|2,0,0]=4 8358 B10R0.83 CON(C)C(=O)CNCCO 2230a_100015207273_100000211926 [0,2,0,0,0,0|2,0,0]=4 8359 B10R0.83 CON(C)C(=O)CNCCO 2230a_100016997473_100000764215 [0,2,0,0,0,0|2,0,0]=4 8360 B10R0.83 CON(C)C(=O)CNCSC 2230a_100015207273_100011218213 [0,2,0,0,0,0|2,0,0]=4 8361 B10R0.83 CON(C)C(=O)CSCCF 62a_100000764215_100011217306 [0,2,0,0,0,0|2,0,0]=4 8362 B10R0.83 CON(C)C(=O)CSCCF 62a_100011217306_100000764215 [0,2,0,0,0,0|2,0,0]=4 8363 B10R0.83 CON(C)C(=O)CSCCO 62a_100000211926_100000764215 [0,2,0,0,0,0|2,0,0]=4 8364 B10R0.83 CON(C)C(=O)CSCCO 62a_100000764215_100000211926 [0,2,0,0,0,0|2,0,0]=4 8365 B10R0.83 CON(C)C(=O)CSCSC 62a_100000764215_100011218213 [0,2,0,0,0,0|2,0,0]=4 8366 B10R0.83 CON(C)C(=O)CSCSC 62a_100011218213_100000764215 [0,2,0,0,0,0|2,0,0]=4 8367 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,2,0,0,0,0|1,1,0]=4 8368 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|1,1,0]=4 8369 B10R0.83 CSCCCC(=O)C(C)C#N 1458a_100000173376_100000703298 [0,2,0,0,0,0|2,0,0]=4 8370 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|2,0,0]=4 8371 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|2,0,0]=4 8372 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|1,0,0]=3 8373 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|1,0,0]=3 8374 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [0,2,0,0,0,0|2,0,0]=4 8375 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [0,2,0,0,0,0|2,0,0]=4 8376 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [0,2,0,0,0,0|2,0,0]=4 8377 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [0,2,0,0,0,0|2,0,0]=4 8378 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [0,2,0,0,0,0|2,0,0]=4 8379 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [0,2,0,0,0,0|2,0,0]=4 8380 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [0,2,0,0,0,0|2,0,0]=4 8381 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [0,2,0,0,0,0|2,0,0]=4 8382 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [0,2,0,0,0,0|2,0,0]=4 8383 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [0,2,0,0,0,0|2,0,0]=4 8384 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [0,2,0,0,0,0|2,0,0]=4 8385 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [0,2,0,0,0,0|2,0,0]=4 8386 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [0,2,0,0,0,0|2,0,0]=4 8387 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [0,2,0,0,0,0|2,0,0]=4 8388 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [0,2,0,0,0,0|2,0,0]=4 8389 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [0,2,0,0,0,0|2,0,0]=4 8390 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [0,2,0,0,0,0|2,0,0]=4 8391 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [0,2,0,0,0,0|2,0,0]=4 8392 B10R0.91 C#CCCCC(=O)C=COC 1458a_100016268678_100000731252 [0,2,0,0,0,0|0,0,2]=4 8393 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,2,0,0,0,0|0,0,2]=4 8394 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,2,0,0,0,0|0,0,2]=4 8395 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,2,0,0,0,0|0,0,2]=4 8396 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,2,0,0,0,0|1,0,0]=3 8397 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,2,0,0,0,0|1,0,0]=3 8398 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,2,0,0,0,0|1,0,0]=3 8399 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,2,0,0,0,0|1,0,0]=3 8400 B10R0.91 C#CCNC(=O)CCCCO 1626a_100000212058_100000695505 [0,2,0,0,0,0|2,0,0]=4 8401 B10R0.91 C#CCNC(=O)CCCOC 11a_100000212058_100000741012 [0,2,0,0,0,0|2,0,0]=4 8402 B10R0.91 C#CCNC(=O)CCCOC 1626a_100000212058_100000741012 [0,2,0,0,0,0|2,0,0]=4 8403 B10R0.91 C#CCNC(=O)CCCOC 240690a_100000212058_100000741012 [0,2,0,0,0,0|2,0,0]=4 8404 B10R0.91 C#CCNC(=O)CCCOC 527a_100000212058_100000741012 [0,2,0,0,0,0|2,0,0]=4 8405 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [0,2,0,0,0,0|2,0,0]=4 8406 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [0,2,0,0,0,0|2,0,0]=4 8407 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [0,2,0,0,0,0|2,0,0]=4 8408 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [0,2,0,0,0,0|2,0,0]=4 8409 B10R0.91 C#CCNC(=O)CCOCC 11a_100000212058_100000749530 [0,2,0,0,0,0|2,0,0]=4 8410 B10R0.91 C#CCNC(=O)CCOCC 1626a_100000212058_100000749530 [0,2,0,0,0,0|2,0,0]=4 8411 B10R0.91 C#CCNC(=O)CCOCC 240690a_100000212058_100000749530 [0,2,0,0,0,0|2,0,0]=4 8412 B10R0.91 C#CCNC(=O)CCOCC 527a_100000212058_100000749530 [0,2,0,0,0,0|2,0,0]=4 8413 B10R0.91 C#CCNC(=O)CCSCC 11a_100000212058_100000230768 [0,2,0,0,0,0|2,0,0]=4 8414 B10R0.91 C#CCNC(=O)CCSCC 1626a_100000212058_100000230768 [0,2,0,0,0,0|2,0,0]=4 8415 B10R0.91 C#CCNC(=O)CCSCC 240690a_100000212058_100000230768 [0,2,0,0,0,0|2,0,0]=4 8416 B10R0.91 C#CCNC(=O)CCSCC 527a_100000212058_100000230768 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.91 C#CCNC(=O)CNCCC 2230a_100000747989_100000210303 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.91 C#CCNC(=O)CNCCC 34a_100000747989_100000210303 [0,2,0,0,0,0|2,0,0]=4 8419 B10R0.91 C#CCNC(=O)COCCC 11a_100000212058_100000745993 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.91 C#CCNC(=O)COCCC 1626a_100000212058_100000745993 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.91 C#CCNC(=O)COCCC 240690a_100000212058_100000745993 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.91 C#CCNC(=O)COCCC 527a_100000212058_100000745993 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.91 C#CCNC(=O)CSCCC 11a_100000212058_100000217233 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.91 C#CCNC(=O)CSCCC 1626a_100000212058_100000217233 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.91 C#CCNC(=O)CSCCC 240690a_100000212058_100000217233 [0,2,0,0,0,0|2,0,0]=4 8426 B10R0.91 C#CCNC(=O)CSCCC 527a_100000212058_100000217233 [0,2,0,0,0,0|2,0,0]=4 8427 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000102301_100000212058 [0,2,0,0,0,0|2,0,0]=4 8428 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000212058_100000102301 [0,2,0,0,0,0|2,0,0]=4 8429 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000102301_100000212058 [0,2,0,0,0,0|2,0,0]=4 8430 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000212058_100000102301 [0,2,0,0,0,0|2,0,0]=4 8431 B10R0.91 C#CCNC(=O)NCCCC 512a_100000102301_100000212058 [0,2,0,0,0,0|2,0,0]=4 8432 B10R0.91 C#CCNC(=O)NCCCC 512a_100000212058_100000102301 [0,2,0,0,0,0|2,0,0]=4 8433 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,2,0,0,0,0|1,0,1]=4 8434 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,2,0,0,0,0|1,0,1]=4 8435 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,2,0,0,0,0|1,0,1]=4 8436 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|1,0,0]=3 8437 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,2,0,0,0,0|2,0,0]=4 8438 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,2,0,0,0,0|2,0,0]=4 8439 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,2,0,0,0,0|2,0,0]=4 8440 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,2,0,0,0,0|2,0,0]=4 8441 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,2,0,0,0,0|2,0,0]=4 8442 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,2,0,0,0,0|2,0,0]=4 8443 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,2,0,0,0,0|2,0,0]=4 8444 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,2,0,0,0,0|2,0,0]=4 8445 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,2,0,0,0,0|2,0,0]=4 8446 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,2,0,0,0,0|2,0,0]=4 8447 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,2,0,0,0,0|1,0,1]=4 8448 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|1,0,0]=3 8449 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|1,0,0]=3 8450 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,2,0,0,0,0|2,0,0]=4 8451 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,2,0,0,0,0|2,0,0]=4 8452 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,2,0,0,0,0|2,0,0]=4 8453 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,2,0,0,0,0|2,0,0]=4 8454 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,2,0,0,0,0|2,0,0]=4 8455 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,2,0,0,0,0|2,0,0]=4 8456 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,2,0,0,0,0|2,0,0]=4 8457 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,2,0,0,0,0|2,0,0]=4 8458 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,2,0,0,0,0|2,0,0]=4 8459 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,2,0,0,0,0|2,0,0]=4 8460 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,2,0,0,0,0|2,0,0]=4 8461 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,2,0,0,0,0|2,0,0]=4 8462 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,2,0,0,0,0|2,0,0]=4 8463 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,2,0,0,0,0|2,0,0]=4 8464 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,2,0,0,0,0|2,0,0]=4 8465 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,2,0,0,0,0|2,0,0]=4 8466 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,2,0,0,0,0|0,0,2]=4 8467 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,2,0,0,0,0|0,0,2]=4 8468 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,2,0,0,0,0|0,0,2]=4 8469 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,2,0,0,0,0|0,0,2]=4 8470 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|1,0,0]=3 8471 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|1,0,0]=3 8472 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|1,0,0]=3 8473 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,2,0,0,0,0|2,0,0]=4 8474 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,2,0,0,0,0|2,0,0]=4 8475 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,2,0,0,0,0|2,0,0]=4 8476 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,2,0,0,0,0|2,0,0]=4 8477 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,2,0,0,0,0|2,0,0]=4 8478 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,2,0,0,0,0|2,0,0]=4 8479 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,2,0,0,0,0|2,0,0]=4 8480 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,2,0,0,0,0|2,0,0]=4 8481 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,2,0,0,0,0|2,0,0]=4 8482 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,2,0,0,0,0|2,0,0]=4 8483 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,2,0,0,0,0|2,0,0]=4 8484 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,2,0,0,0,0|2,0,0]=4 8485 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,2,0,0,0,0|2,0,0]=4 8486 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,2,0,0,0,0|2,0,0]=4 8487 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,2,0,0,0,0|2,0,0]=4 8488 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,2,0,0,0,0|2,0,0]=4 8489 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,2,0,0,0,0|2,0,0]=4 8490 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,2,0,0,0,0|2,0,0]=4 8491 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,2,0,0,0,0|2,0,0]=4 8492 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,2,0,0,0,0|2,0,0]=4 8493 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,2,0,0,0,0|2,0,0]=4 8494 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,2,0,0,0,0|2,0,0]=4 8496 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,2,0,0,0,0|2,0,0]=4 8497 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,2,0,0,0,0|2,0,0]=4 8498 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,2,0,0,0,0|2,0,0]=4 8499 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,2,0,0,0,0|2,0,0]=4 8500 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,2,0,0,0,0|2,0,0]=4 8501 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,2,0,0,0,0|2,0,0]=4 8502 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [0,2,0,0,0,0|2,0,0]=4 8503 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [0,2,0,0,0,0|2,0,0]=4 8504 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [0,2,0,0,0,0|2,0,0]=4 8505 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [0,2,0,0,0,0|2,0,0]=4 8506 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,2,0,0,0,0|1,0,0]=3 8507 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,2,0,0,0,0|1,0,0]=3 8509 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,2,0,0,0,0|1,0,0]=3 8510 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [0,2,0,0,0,0|2,0,0]=4 8511 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [0,2,0,0,0,0|2,0,0]=4 8512 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [0,2,0,0,0,0|2,0,0]=4 8513 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [0,2,0,0,0,0|2,0,0]=4 8514 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,2,0,0,0,0|2,0,0]=4 8515 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,2,0,0,0,0|2,0,0]=4 8516 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,2,0,0,0,0|2,0,0]=4 8517 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,2,0,0,0,0|2,0,0]=4 8518 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 8519 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,2,0,0,0,0|1,0,1]=4 8520 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,2,0,0,0,0|1,0,1]=4 8521 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,2,0,0,0,0|1,0,0]=3 8522 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,2,0,0,0,0|2,0,0]=4 8523 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [0,2,0,0,0,0|2,0,0]=4 8524 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,2,0,0,0,0|2,0,0]=4 8525 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [0,2,0,0,0,0|2,0,0]=4 8526 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [0,2,0,0,0,0|2,0,0]=4 8527 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [0,2,0,0,0,0|2,0,0]=4 8528 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [0,2,0,0,0,0|2,0,0]=4 8529 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|0,0,2]=4 8530 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [0,2,0,0,0,0|0,0,2]=4 8531 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|0,0,2]=4 8532 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|0,0,2]=4 8533 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|1,0,0]=3 8534 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|1,0,0]=3 8535 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,2,0,0,0,0|2,0,0]=4 8536 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,2,0,0,0,0|2,0,0]=4 8537 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,2,0,0,0,0|2,0,0]=4 8538 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,2,0,0,0,0|2,0,0]=4 8539 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,2,0,0,0,0|2,0,0]=4 8540 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,2,0,0,0,0|2,0,0]=4 8541 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,2,0,0,0,0|2,0,0]=4 8542 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,2,0,0,0,0|2,0,0]=4 8543 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,2,0,0,0,0|2,0,0]=4 8544 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,2,0,0,0,0|2,0,0]=4 8545 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,2,0,0,0,0|2,0,0]=4 8546 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,2,0,0,0,0|2,0,0]=4 8547 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,2,0,0,0,0|2,0,0]=4 8548 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,2,0,0,0,0|2,0,0]=4 8549 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,2,0,0,0,0|2,0,0]=4 8550 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,2,0,0,0,0|2,0,0]=4 8551 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,2,0,0,0,0|1,0,0]=3 8552 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|1,0,0]=3 8553 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,2,0,0,0,0|2,0,0]=4 8554 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,2,0,0,0,0|2,0,0]=4 8555 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,2,0,0,0,0|2,0,0]=4 8556 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,2,0,0,0,0|2,0,0]=4 8557 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,2,0,0,0,0|2,0,0]=4 8558 B10R0.91 CCC#CCC(=O)C=COC 1458a_100016268678_100009813939 [0,2,0,0,0,0|0,0,2]=4 8559 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [0,2,0,0,0,0|0,0,2]=4 8560 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [0,2,0,0,0,0|0,0,2]=4 8561 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|1,0,0]=3 8562 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|2,0,0]=4 8563 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|2,0,0]=4 8564 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|2,0,0]=4 8565 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|2,0,0]=4 8566 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|2,0,0]=4 8567 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 8568 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 8569 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|2,0,0]=4 8570 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,2,0,0,0,0|0,0,2]=4 8571 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,2,0,0,0,0|0,0,2]=4 8572 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,2,0,0,0,0|2,0,0]=4 8573 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|2,0,0]=4 8574 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|2,0,0]=4 8575 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,2,0,0,0,0|2,0,0]=4 8576 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,2,0,0,0,0|2,0,0]=4 8577 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,2,0,0,0,0|2,0,0]=4 8578 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,2,0,0,0,0|2,0,0]=4 8579 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,2,0,0,0,0|2,0,0]=4 8580 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,2,0,0,0,0|2,0,0]=4 8581 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,2,0,0,0,0|2,0,0]=4 8582 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,2,0,0,0,0|2,0,0]=4 8583 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,2,0,0,0,0|2,0,0]=4 8584 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,2,0,0,0,0|2,0,0]=4 8585 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,2,0,0,0,0|1,0,0]=3 8586 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|0,0,0]=2 8587 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|1,0,0]=3 8588 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|1,0,0]=3 8589 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|1,0,0]=3 8590 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|1,0,0]=3 8591 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|1,0,0]=3 8592 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|1,0,0]=3 8593 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,0]=2 8594 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,0]=2 8595 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|0,1,0]=3 8596 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|0,1,0]=3 8597 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|1,0,0]=3 8598 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|0,0,0]=2 8599 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|0,0,0]=2 8600 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|0,1,0]=3 8601 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|0,1,0]=3 8602 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|0,1,0]=3 8603 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|0,1,0]=3 8604 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|0,1,0]=3 8605 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,2,0,0,0,0|1,0,0]=3 8606 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,2,0,0,0,0|1,0,0]=3 8607 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 8608 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 8609 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 8610 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|1,0,0]=3 8611 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|1,0,0]=3 8612 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|1,0,0]=3 8613 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|1,0,0]=3 8614 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|1,0,0]=3 8615 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|1,0,0]=3 8616 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|1,0,0]=3 8617 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|1,0,0]=3 8618 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,2,0,0,0,0|1,0,1]=4 8619 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,2,0,0,0,0|1,0,1]=4 8620 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,2,0,0,0,0|1,0,1]=4 8621 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,2,0,0,0,0|1,0,1]=4 8622 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,2,0,0,0,0|1,0,1]=4 8623 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,2,0,0,0,0|1,0,1]=4 8624 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 8625 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,2,0,0,0,0|1,0,1]=4 8626 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 8627 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,2,0,0,0,0|1,0,1]=4 8628 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,2,0,0,0,0|1,0,1]=4 8629 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,2,0,0,0,0|1,0,1]=4 8630 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,2,0,0,0,0|1,0,1]=4 8631 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,2,0,0,0,0|1,0,1]=4 8632 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,2,0,0,0,0|1,0,1]=4 8633 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,2,0,0,0,0|1,0,1]=4 8634 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,2,0,0,0,0|2,0,0]=4 8635 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,2,0,0,0,0|2,0,0]=4 8636 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,2,0,0,0,0|2,0,0]=4 8637 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,2,0,0,0,0|2,0,0]=4 8638 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,2,0,0,0,0|2,0,0]=4 8639 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|1,0,0]=3 8640 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|1,0,0]=3 8641 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [0,2,0,0,0,0|2,0,0]=4 8642 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [0,2,0,0,0,0|2,0,0]=4 8643 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [0,2,0,0,0,0|2,0,0]=4 8644 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [0,2,0,0,0,0|2,0,0]=4 8645 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 8646 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 8647 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 8648 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,2,0,0,0,0|2,0,0]=4 8649 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 8650 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 8651 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 8652 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|1,0,0]=3 8653 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,2,0,0,0,0|1,1,0]=4 8654 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,2,0,0,0,0|1,1,0]=4 8655 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,2,0,0,0,0|1,1,0]=4 8656 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,2,0,0,0,0|1,1,0]=4 8657 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,2,0,0,0,0|2,0,0]=4 8658 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8659 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8660 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8661 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,2,0,0,0,0|1,0,0]=3 8662 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,2,0,0,0,0|1,0,0]=3 8663 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 8664 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 8665 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 8666 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,2,0,0,0,0|1,1,0]=4 8667 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,2,0,0,0,0|1,1,0]=4 8668 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,2,0,0,0,0|1,1,0]=4 8669 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [0,2,0,0,0,0|1,1,0]=4 8670 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [0,2,0,0,0,0|1,1,0]=4 8671 B10R0.91 CCCCNC(=O)NCC#N 2708a_100000734998_100000102301 [0,2,0,0,0,0|2,0,0]=4 8672 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000102301_100000734998 [0,2,0,0,0,0|2,0,0]=4 8673 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000734998_100000102301 [0,2,0,0,0,0|2,0,0]=4 8674 B10R0.91 CCCCNC(=O)NCC#N 512a_100000102301_100000734998 [0,2,0,0,0,0|2,0,0]=4 8675 B10R0.91 CCCCNC(=O)NCC#N 512a_100000734998_100000102301 [0,2,0,0,0,0|2,0,0]=4 8676 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,2,0,0,0,0|2,0,0]=4 8677 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,2,0,0,0,0|2,0,0]=4 8678 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,2,0,0,0,0|2,0,0]=4 8679 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,2,0,0,0,0|2,0,0]=4 8680 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,2,0,0,0,0|2,0,0]=4 8681 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,2,0,0,0,0|2,0,0]=4 8682 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 8683 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 8684 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,2,0,0,0,0|2,0,0]=4 8685 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,2,0,0,0,0|2,0,0]=4 8686 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 8687 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 8688 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,2,0,0,0,0|2,0,0]=4 8689 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,2,0,0,0,0|2,0,0]=4 8690 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,2,0,0,0,0|2,0,0]=4 8691 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,2,0,0,0,0|2,0,0]=4 8692 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,2,0,0,0,0|2,0,0]=4 8693 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,2,0,0,0,0|2,0,0]=4 8694 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,2,0,0,0,0|1,0,0]=3 8695 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,2,0,0,0,0|1,1,0]=4 8696 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,2,0,0,0,0|1,1,0]=4 8697 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,2,0,0,0,0|1,1,0]=4 8698 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,2,0,0,0,0|1,1,0]=4 8699 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,2,0,0,0,0|2,0,0]=4 8700 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,2,0,0,0,0|2,0,0]=4 8701 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,2,0,0,0,0|2,0,0]=4 8702 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,2,0,0,0,0|2,0,0]=4 8703 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,2,0,0,0,0|2,0,0]=4 8704 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,2,0,0,0,0|2,0,0]=4 8705 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,2,0,0,0,0|2,0,0]=4 8706 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,2,0,0,0,0|2,0,0]=4 8707 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,2,0,0,0,0|2,0,0]=4 8708 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,2,0,0,0,0|2,0,0]=4 8709 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,2,0,0,0,0|2,0,0]=4 8710 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,2,0,0,0,0|2,0,0]=4 8711 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,2,0,0,0,0|2,0,0]=4 8712 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,2,0,0,0,0|2,0,0]=4 8713 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,2,0,0,0,0|2,0,0]=4 8714 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,2,0,0,0,0|2,0,0]=4 8715 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,2,0,0,0,0|2,0,0]=4 8716 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,2,0,0,0,0|2,0,0]=4 8717 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,2,0,0,0,0|2,0,0]=4 8718 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,2,0,0,0,0|2,0,0]=4 8719 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,2,0,0,0,0|2,0,0]=4 8720 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,2,0,0,0,0|2,0,0]=4 8721 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,2,0,0,0,0|2,0,0]=4 8722 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 8723 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 8724 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 8725 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,2,0,0,0,0|2,0,0]=4 8726 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,2,0,0,0,0|2,0,0]=4 8727 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 8728 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 8729 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 8730 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,2,0,0,0,0|2,0,0]=4 8731 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,2,0,0,0,0|2,0,0]=4 8732 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,2,0,0,0,0|2,0,0]=4 8733 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,2,0,0,0,0|2,0,0]=4 8734 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,2,0,0,0,0|2,0,0]=4 8735 B10R0.91 CCCNNC(=O)C=COC 22a_100000740057_100016268678 [0,2,0,0,0,0|2,0,0]=4 8736 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,2,0,0,0,0|2,0,0]=4 8737 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,2,0,0,0,0|2,0,0]=4 8738 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,2,0,0,0,0|2,0,0]=4 8739 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,2,0,0,0,0|2,0,0]=4 8740 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,2,0,0,0,0|2,0,0]=4 8741 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,2,0,0,0,0|2,0,0]=4 8742 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,2,0,0,0,0|2,0,0]=4 8743 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,2,0,0,0,0|1,0,0]=3 8744 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,2,0,0,0,0|1,0,0]=3 8745 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,2,0,0,0,0|2,0,0]=4 8746 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,2,0,0,0,0|2,0,0]=4 8747 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,2,0,0,0,0|2,0,0]=4 8748 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,2,0,0,0,0|2,0,0]=4 8750 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,2,0,0,0,0|2,0,0]=4 8753 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,2,0,0,0,0|2,0,0]=4 8754 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,2,0,0,0,0|2,0,0]=4 8755 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,2,0,0,0,0|2,0,0]=4 8756 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,2,0,0,0,0|2,0,0]=4 8757 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|2,0,0]=4 8758 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|1,0,0]=3 8759 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,2,0,0,0,0|1,1,0]=4 8760 B10R0.91 CCCOCC(=O)NCC#N 1626a_100000734998_100000745993 [0,2,0,0,0,0|2,0,0]=4 8761 B10R0.91 CCCOCC(=O)NCC#N 527a_100000734998_100000745993 [0,2,0,0,0,0|2,0,0]=4 8762 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 8763 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 8764 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 8765 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,2,0,0,0,0|2,0,0]=4 8766 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,2,0,0,0,0|2,0,0]=4 8767 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,2,0,0,0,0|2,0,0]=4 8768 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,2,0,0,0,0|2,0,0]=4 8769 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,2,0,0,0,0|1,0,0]=3 8770 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [0,2,0,0,0,0|2,0,0]=4 8771 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,2,0,0,0,0|2,0,0]=4 8772 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,2,0,0,0,0|2,0,0]=4 8773 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|1,0,0]=3 8774 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,2,0,0,0,0|1,1,0]=4 8775 B10R0.91 CCCSCC(=O)NCC#N 1626a_100000734998_100000217233 [0,2,0,0,0,0|2,0,0]=4 8776 B10R0.91 CCCSCC(=O)NCC#N 527a_100000734998_100000217233 [0,2,0,0,0,0|2,0,0]=4 8777 B10R0.91 CCCSCC(=O)NCC#N 62a_100000210303_100000736037 [0,2,0,0,0,0|2,0,0]=4 8778 B10R0.91 CCCSCC(=O)NCC#N 62a_100000736037_100000210303 [0,2,0,0,0,0|2,0,0]=4 8779 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 8780 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 8781 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 8782 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,2,0,0,0,0|2,0,0]=4 8783 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,2,0,0,0,0|2,0,0]=4 8784 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,2,0,0,0,0|2,0,0]=4 8785 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,2,0,0,0,0|2,0,0]=4 8786 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,2,0,0,0,0|2,0,0]=4 8787 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,2,0,0,0,0|2,0,0]=4 8788 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,2,0,0,0,0|2,0,0]=4 8789 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,2,0,0,0,0|2,0,0]=4 8790 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,2,0,0,0,0|1,0,1]=4 8791 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,2,0,0,0,0|1,0,0]=3 8792 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,2,0,0,0,0|1,0,0]=3 8793 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,2,0,0,0,0|1,0,0]=3 8794 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,2,0,0,0,0|1,0,0]=3 8795 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 8796 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 8797 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 8798 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,2,0,0,0,0|2,0,0]=4 8799 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,2,0,0,0,0|2,0,0]=4 8800 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,2,0,0,0,0|2,0,0]=4 8801 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,2,0,0,0,0|2,0,0]=4 8802 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,2,0,0,0,0|2,0,0]=4 8803 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,2,0,0,0,0|2,0,0]=4 8804 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,2,0,0,0,0|2,0,0]=4 8805 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 8806 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 8807 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 8808 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,2,0,0,0,0|2,0,0]=4 8809 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,2,0,0,0,0|2,0,0]=4 8810 B10R0.91 CCOCCC(=O)C#CCO 1458a_100000049017_100011215890 [0,2,0,0,0,0|2,0,0]=4 8811 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,2,0,0,0,0|1,0,0]=3 8812 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,2,0,0,0,0|2,0,0]=4 8813 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,2,0,0,0,0|2,0,0]=4 8814 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,2,0,0,0,0|2,0,0]=4 8815 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|2,0,0]=4 8816 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|1,0,0]=3 8817 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|1,0,0]=3 8818 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,2,0,0,0,0|1,1,0]=4 8819 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,2,0,0,0,0|1,1,0]=4 8820 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,2,0,0,0,0|1,0,0]=3 8821 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,2,0,0,0,0|1,1,0]=4 8822 B10R0.91 CCOCCC(=O)NCC#N 1626a_100000734998_100000749530 [0,2,0,0,0,0|2,0,0]=4 8823 B10R0.91 CCOCCC(=O)NCC#N 527a_100000734998_100000749530 [0,2,0,0,0,0|2,0,0]=4 8824 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8825 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8826 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8827 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,2,0,0,0,0|2,0,0]=4 8828 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,2,0,0,0,0|2,0,0]=4 8829 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,2,0,0,0,0|2,0,0]=4 8830 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,2,0,0,0,0|1,1,0]=4 8831 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,2,0,0,0,0|1,1,0]=4 8832 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,2,0,0,0,0|1,1,0]=4 8833 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,2,0,0,0,0|2,0,0]=4 8834 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|1,0,0]=3 8835 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [0,2,0,0,0,0|2,0,0]=4 8836 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [0,2,0,0,0,0|2,0,0]=4 8837 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,2,0,0,0,0|2,0,0]=4 8838 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,2,0,0,0,0|2,0,0]=4 8839 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|1,0,0]=3 8840 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|1,0,0]=3 8841 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,2,0,0,0,0|1,1,0]=4 8842 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,2,0,0,0,0|1,1,0]=4 8843 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,2,0,0,0,0|1,1,0]=4 8844 B10R0.91 CCSCCC(=O)NCC#N 1626a_100000734998_100000230768 [0,2,0,0,0,0|2,0,0]=4 8845 B10R0.91 CCSCCC(=O)NCC#N 527a_100000734998_100000230768 [0,2,0,0,0,0|2,0,0]=4 8846 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8847 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8848 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8849 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,2,0,0,0,0|2,0,0]=4 8850 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,2,0,0,0,0|2,0,0]=4 8851 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,2,0,0,0,0|2,0,0]=4 8852 B10R0.91 COC=CC(=O)CCCC#N 1458a_100016268678_100000211468 [0,2,0,0,0,0|1,0,1]=4 8853 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,2,0,0,0,0|1,0,0]=3 8854 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,2,0,0,0,0|1,0,0]=3 8855 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,2,0,0,0,0|1,0,0]=3 8856 B10R0.91 COC=CC(=O)NCCCF 1626a_100015189416_100016268678 [0,2,0,0,0,0|2,0,0]=4 8857 B10R0.91 COC=CC(=O)NCCCF 240690a_100015189416_100016268678 [0,2,0,0,0,0|2,0,0]=4 8858 B10R0.91 COC=CC(=O)NCCCO 240690a_100000182051_100016268678 [0,2,0,0,0,0|2,0,0]=4 8859 B10R0.91 COC=CC(=O)NCCOC 1626a_100000209980_100016268678 [0,2,0,0,0,0|2,0,0]=4 8860 B10R0.91 COC=CC(=O)NCCOC 240690a_100000209980_100016268678 [0,2,0,0,0,0|2,0,0]=4 8861 B10R0.91 COC=CC(=O)NCCSC 1626a_100020590264_100016268678 [0,2,0,0,0,0|2,0,0]=4 8862 B10R0.91 COC=CC(=O)NCCSC 240690a_100020590264_100016268678 [0,2,0,0,0,0|2,0,0]=4 8863 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,2,0,0,0,0|1,0,1]=4 8864 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,2,0,0,0,0|1,0,1]=4 8865 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|1,0,0]=3 8866 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|1,0,0]=3 8867 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|1,0,0]=3 8868 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|1,0,0]=3 8869 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,2,0,0,0,0|2,0,0]=4 8870 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 8871 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 8872 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 8873 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [0,2,0,0,0,0|2,0,0]=4 8874 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,2,0,0,0,0|2,0,0]=4 8875 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,2,0,0,0,0|2,0,0]=4 8876 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 8877 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 8878 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 8879 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,2,0,0,0,0|2,0,0]=4 8880 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,2,0,0,0,0|2,0,0]=4 8881 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [0,2,0,0,0,0|2,0,0]=4 8882 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [0,2,0,0,0,0|2,0,0]=4 8883 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,2,0,0,0,0|2,0,0]=4 8884 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|2,0,0]=4 8885 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|1,0,0]=3 8886 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|1,0,0]=3 8887 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,2,0,0,0,0|1,1,0]=4 8888 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,2,0,0,0,0|1,1,0]=4 8889 B10R0.91 COCCCC(=O)NCC#N 1626a_100000734998_100000741012 [0,2,0,0,0,0|2,0,0]=4 8890 B10R0.91 COCCCC(=O)NCC#N 527a_100000734998_100000741012 [0,2,0,0,0,0|2,0,0]=4 8891 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8892 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8893 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8894 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,2,0,0,0,0|2,0,0]=4 8895 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|2,0,0]=4 8896 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|2,0,0]=4 8897 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,2,0,0,0,0|2,0,0]=4 8898 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,2,0,0,0,0|2,0,0]=4 8899 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,2,0,0,0,0|2,0,0]=4 8900 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,2,0,0,0,0|1,1,0]=4 8901 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,2,0,0,0,0|1,1,0]=4 8902 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,2,0,0,0,0|1,1,0]=4 8903 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,2,0,0,0,0|2,0,0]=4 8904 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,2,0,0,0,0|2,0,0]=4 8905 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|2,0,0]=4 8906 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,2,0,0,0,0|1,1,0]=4 8907 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [0,2,0,0,0,0|2,0,0]=4 8908 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [0,2,0,0,0,0|2,0,0]=4 8909 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8910 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8911 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8912 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,2,0,0,0,0|2,0,0]=4 8913 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|2,0,0]=4 8914 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|2,0,0]=4 8915 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [0,2,0,0,0,0|2,0,0]=4 8916 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,2,0,0,0,0|2,0,0]=4 8917 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,2,0,0,0,0|2,0,0]=4 8918 B10R0.91 N#CCNC(=O)CCCCO 1626a_100000734998_100000695505 [0,2,0,0,0,0|2,0,0]=4 8919 B10R0.91 O=C(C#CCO)CCCCF 1458a_100000049017_100000729493 [0,2,0,0,0,0|2,0,0]=4 8920 B10R0.91 O=C(C#CCO)CCCCO 1458a_100000049017_100000210776 [0,2,0,0,0,0|2,0,0]=4 8921 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,2,0,0,0,0|2,0,0]=4 8922 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,2,0,0,0,0|2,0,0]=4 8923 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,2,0,0,0,0|2,0,0]=4 8924 B10R0.108 C#CCC(=O)CCC(=O)OC 1458a_100000187943_100000184674 [0,2,0,0,0,0|0,0,2]=4 8925 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [0,2,0,0,0,0|1,0,1]=4 8926 B10R0.108 C#CCC(C)OCC(=O)OC 34a_100000685586_100000747449 [0,2,0,0,0,0|0,0,2]=4 8927 B10R0.108 C#CCC(C)OCC(=O)OC 7a_100000685586_100000747449 [0,2,0,0,0,0|0,0,2]=4 8928 B10R0.108 C#CCN(C)CCC(=O)OC 2230a_100000225692_100000204255 [0,2,0,0,0,0|0,0,2]=4 8929 B10R0.108 C#CCN(C)CCC(=O)OC 34a_100000225692_100000742370 [0,2,0,0,0,0|0,0,2]=4 8930 B10R0.108 C/C=C/C(C)OCC(=O)OC 34a_200102604097_100000747449 [0,2,0,0,0,0|0,0,2]=4 8931 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,2,0,0,0,0|0,0,2]=4 8932 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,2,0,0,0,0|1,0,1]=4 8933 B10R0.108 C=CCN(C)CCC(=O)OC 2230a_100000225617_100000204255 [0,2,0,0,0,0|0,0,2]=4 8934 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100000225617_100000204255 [0,2,0,0,0,0|0,0,2]=4 8935 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100025711912_100000210623 [0,2,0,0,0,0|0,0,2]=4 8936 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 34a_100000731007_100000747449 [0,2,0,0,0,0|0,0,2]=4 8937 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 7a_100000731007_100000747449 [0,2,0,0,0,0|0,0,2]=4 8938 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,2,0,0,0,0|1,0,1]=4 8939 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,2,0,0,0,0|1,0,1]=4 8940 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,2,0,0,0,0|1,0,1]=4 8941 B10R0.108 CC#CC(C)OCC(=O)OC 34a_100011216543_100000747449 [0,2,0,0,0,0|0,0,2]=4 8942 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,2,0,0,0,0|2,0,0]=4 8943 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,2,0,0,0,0|2,0,0]=4 8944 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,2,0,0,0,0|2,0,0]=4 8945 B10R0.108 CC=CC(=O)NCC(O)CC 11a_100011218483_100000210699 [0,2,0,0,0,0|2,0,0]=4 8946 B10R0.108 CC=CC(=O)NCC(O)CC 240690a_100011218483_100000210699 [0,2,0,0,0,0|2,0,0]=4 8947 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [0,2,0,0,0,0|2,0,0]=4 8948 B10R0.108 CCC(=O)COC(C)COC 34a_100000725409_100000765312 [0,2,0,0,0,0|2,0,0]=4 8949 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [0,2,0,0,0,0|2,0,0]=4 8950 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [0,2,0,0,0,0|2,0,0]=4 8951 B10R0.108 CCC(=O)CSC(C)COC 62a_100000747405_100000765312 [0,2,0,0,0,0|2,0,0]=4 8952 B10R0.108 CCC(=O)CSC(C)COC 62a_100000765312_100000747405 [0,2,0,0,0,0|2,0,0]=4 8953 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,2,0,0,0,0|2,0,0]=4 8954 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,2,0,0,0,0|2,0,0]=4 8955 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [0,2,0,0,0,0|1,0,1]=4 8956 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|1,0,0]=3 8957 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|1,0,0]=3 8958 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,2,0,0,0,0|1,0,0]=3 8959 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [0,2,0,0,0,0|1,0,1]=4 8960 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,2,0,0,0,0|2,0,0]=4 8961 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 8962 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 8963 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 8964 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,2,0,0,0,0|1,0,0]=3 8965 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,2,0,0,0,0|1,1,0]=4 8966 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,2,0,0,0,0|1,1,0]=4 8967 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,2,0,0,0,0|1,1,0]=4 8968 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,2,0,0,0,0|1,1,0]=4 8969 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,2,0,0,0,0|2,0,0]=4 8970 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,2,0,0,0,0|2,0,0]=4 8971 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,2,0,0,0,0|2,0,0]=4 8972 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,2,0,0,0,0|2,0,0]=4 8973 B10R0.108 CCC(C)NNC(=O)COC 22a_100000718999_100000210968 [0,2,0,0,0,0|2,0,0]=4 8974 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,2,0,0,0,0|2,0,0]=4 8975 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,2,0,0,0,0|2,0,0]=4 8976 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,2,0,0,0,0|2,0,0]=4 8977 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,2,0,0,0,0|1,0,0]=3 8978 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,2,0,0,0,0|2,0,0]=4 8979 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|1,0,0]=3 8980 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|1,0,0]=3 8981 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|1,0,0]=3 8982 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,2,0,0,0,0|1,1,0]=4 8983 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,2,0,0,0,0|1,1,0]=4 8984 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,2,0,0,0,0|1,1,0]=4 8985 B10R0.108 CCC(O)CNC(=O)NNC 273464a_100011218483_100016993582 [0,2,0,0,0,0|2,0,0]=4 8986 B10R0.108 CCC(O)CNC(=O)NNC 512a_100011218483_100016993582 [0,2,0,0,0,0|2,0,0]=4 8987 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,0]=3 8988 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|0,0,0]=2 8989 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|1,0,0]=3 8990 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,2,0,0,0,0|2,0,0]=4 8991 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,2,0,0,0,0|2,0,0]=4 8992 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,2,0,0,0,0|1,0,1]=4 8993 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|0,0,1]=3 8994 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,2,0,0,0,0|2,0,0]=4 8995 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,2,0,0,0,0|2,0,0]=4 8996 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,2,0,0,0,0|2,0,0]=4 8997 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,2,0,0,0,0|2,0,0]=4 8998 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 8999 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 9000 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,2,0,0,0,0|1,0,1]=4 9001 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|0,0,1]=3 9002 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 9003 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 9004 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 9005 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,2,0,0,0,0|2,0,0]=4 9006 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,2,0,0,0,0|2,0,0]=4 9007 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,2,0,0,0,0|2,0,0]=4 9008 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,2,0,0,0,0|2,0,0]=4 9009 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,2,0,0,0,0|1,0,1]=4 9010 B10R0.108 CCCC(C)CSC(C)OC 62a_100009879195_100011216630 [0,2,0,0,0,0|1,0,1]=4 9011 B10R0.108 CCCC(C)CSC(C)OC 62a_100011216630_100009879195 [0,2,0,0,0,0|1,0,1]=4 9012 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,2,0,0,0,0|1,0,0]=3 9013 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,2,0,0,0,0|1,0,0]=3 9014 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,2,0,0,0,0|1,0,0]=3 9015 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|0,0,0]=2 9016 B10R0.108 CCCC(C)NC[C@@H](C)OC 2230a_100020591295_100000766640 [0,2,0,0,0,0|1,0,1]=4 9017 B10R0.108 CCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000211909 [0,2,0,0,0,0|1,0,1]=4 9018 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|1,0,0]=3 9019 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|1,0,0]=3 9020 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,2,0,0,0,0|1,0,0]=3 9021 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,2,0,0,0,0|1,0,0]=3 9022 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,2,0,0,0,0|1,0,0]=3 9023 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|0,0,0]=2 9024 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|0,0,0]=2 9025 B10R0.108 CCCC(C)OCC(C)OC 34a_100000690652_100000766640 [0,2,0,0,0,0|1,0,1]=4 9026 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|1,0,0]=3 9027 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|1,0,0]=3 9028 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,2,0,0,0,0|1,0,0]=3 9029 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,2,0,0,0,0|1,0,0]=3 9030 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|0,0,0]=2 9031 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|0,0,0]=2 9032 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,2,0,0,0,0|1,0,0]=3 9033 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,2,0,0,0,0|1,0,0]=3 9034 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,2,0,0,0,0|1,0,0]=3 9035 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,2,0,0,0,0|1,0,0]=3 9036 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|0,0,0]=2 9037 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|0,0,0]=2 9038 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|0,0,0]=2 9039 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [0,2,0,0,0,0|2,0,0]=4 9040 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,2,0,0,0,0|2,0,0]=4 9041 B10R0.108 CCN(C)CCC(=O)NNC 22a_100016993582_100000755305 [0,2,0,0,0,0|2,0,0]=4 9042 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,2,0,0,0,0|1,0,1]=4 9043 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 9044 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,2,0,0,0,0|1,0,1]=4 9045 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 9046 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 9047 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,2,0,0,0,0|1,0,1]=4 9048 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,2,0,0,0,0|1,0,1]=4 9049 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|0,0,1]=3 9050 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|0,0,1]=3 9051 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|0,0,1]=3 9052 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|1,0,0]=3 9053 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|1,0,0]=3 9054 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|1,0,0]=3 9055 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|1,0,0]=3 9056 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,2,0,0,0,0|2,0,0]=4 9057 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,2,0,0,0,0|2,0,0]=4 9058 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,2,0,0,0,0|2,0,0]=4 9059 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 9060 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 9061 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,2,0,0,0,0|2,0,0]=4 9062 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,2,0,0,0,0|1,0,1]=4 9063 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,2,0,0,0,0|2,0,0]=4 9066 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,2,0,0,0,0|2,0,0]=4 9067 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,2,0,0,0,0|2,0,0]=4 9068 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,2,0,0,0,0|2,0,0]=4 9069 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,2,0,0,0,0|2,0,0]=4 9070 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 9071 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 9072 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 9073 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 9074 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,2,0,0,0,0|2,0,0]=4 9075 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,2,0,0,0,0|2,0,0]=4 9076 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,2,0,0,0,0|2,0,0]=4 9077 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,2,0,0,0,0|2,0,0]=4 9078 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,2,0,0,0,0|2,0,0]=4 9079 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,2,0,0,0,0|2,0,0]=4 9080 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|0,0,1]=3 9081 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,2,0,0,0,0|1,0,1]=4 9082 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,2,0,0,0,0|1,0,1]=4 9083 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 9084 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,2,0,0,0,0|1,0,1]=4 9085 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 9086 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|1,0,0]=3 9087 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|1,0,0]=3 9088 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|1,0,0]=3 9089 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|1,0,0]=3 9090 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|1,0,0]=3 9091 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|1,0,0]=3 9092 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|1,0,0]=3 9093 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|1,0,0]=3 9094 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|1,0,0]=3 9095 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|1,0,0]=3 9096 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|1,0,0]=3 9097 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|1,0,0]=3 9098 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|1,0,0]=3 9099 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,2,0,0,0,0|2,0,0]=4 9100 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|1,0,0]=3 9101 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|1,0,0]=3 9102 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,2,0,0,0,0|1,0,1]=4 9103 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|1,0,0]=3 9104 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,2,0,0,0,0|2,0,0]=4 9105 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|1,0,0]=3 9106 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 9107 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,2,0,0,0,0|2,0,0]=4 9108 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 9109 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|1,0,0]=3 9110 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|1,0,0]=3 9111 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,2,0,0,0,0|2,0,0]=4 9112 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,2,0,0,0,0|2,0,0]=4 9113 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,2,0,0,0,0|2,0,0]=4 9114 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,2,0,0,0,0|2,0,0]=4 9115 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,2,0,0,0,0|2,0,0]=4 9116 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,2,0,0,0,0|1,0,1]=4 9117 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,2,0,0,0,0|1,0,1]=4 9118 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [0,2,0,0,0,0|2,0,0]=4 9119 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|2,0,0]=4 9120 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,2,0,0,0,0|1,0,1]=4 9121 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,2,0,0,0,0|1,0,1]=4 9122 B10R0.108 CNC(=O)CCN(C)CCF 2230a_100000750875_100011217306 [0,2,0,0,0,0|2,0,0]=4 9123 B10R0.108 CNC(=O)CCN(C)CCF 269982a_100000750875_100011217306 [0,2,0,0,0,0|2,0,0]=4 9124 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000210263_100000737683 [0,2,0,0,0,0|2,0,0]=4 9125 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000750875_100000211926 [0,2,0,0,0,0|2,0,0]=4 9126 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000210263_100000737683 [0,2,0,0,0,0|2,0,0]=4 9127 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000750875_100000211926 [0,2,0,0,0,0|2,0,0]=4 9128 B10R0.108 CNC(=O)CCN(C)COC 2230a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 9129 B10R0.108 CNC(=O)CCN(C)COC 269982a_100000750875_100000766300 [0,2,0,0,0,0|2,0,0]=4 9130 B10R0.108 CNC(=O)CCN(C)CSC 2230a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 9131 B10R0.108 CNC(=O)CCN(C)CSC 269982a_100000750875_100011218213 [0,2,0,0,0,0|2,0,0]=4 9132 B10R0.108 CNC(=O)CNC(C)CCO 2230a_100000693194_100009893172 [0,2,0,0,0,0|2,0,0]=4 9133 B10R0.108 CNC(=O)CNC(C)COC 2230a_100000693194_100000765312 [0,2,0,0,0,0|2,0,0]=4 9134 B10R0.108 CNC(=O)CNC(C)COC 270004a_100000693194_100000749346 [0,2,0,0,0,0|2,0,0]=4 9135 B10R0.108 CNC(=O)CNC(C)CSC 270004a_100000693194_100011216314 [0,2,0,0,0,0|2,0,0]=4 9136 B10R0.108 CNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 9137 B10R0.108 CNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 9138 B10R0.108 CNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183359 [0,2,0,0,0,0|2,0,0]=4 9139 B10R0.108 CNC(=O)COC(C)CCBr 34a_100012276601_100000183359 [0,2,0,0,0,0|2,0,0]=4 9140 B10R0.108 CNC(=O)COC(C)CCO 34a_100000750040_100009893172 [0,2,0,0,0,0|2,0,0]=4 9141 B10R0.108 CNC(=O)COC(C)COC 34a_100000750040_100000765312 [0,2,0,0,0,0|2,0,0]=4 9142 B10R0.108 CNC(=O)CO[C@H](C)COC 34a_100011934205_100000183359 [0,2,0,0,0,0|2,0,0]=4 9143 B10R0.108 CNC(=O)CSC(C)CCO 62a_100000183359_100009893172 [0,2,0,0,0,0|2,0,0]=4 9144 B10R0.108 CNC(=O)CSC(C)CCO 62a_100009893172_100000183359 [0,2,0,0,0,0|2,0,0]=4 9145 B10R0.108 CNC(=O)CSC(C)COC 62a_100000183359_100000765312 [0,2,0,0,0,0|2,0,0]=4 9146 B10R0.108 CNC(=O)CSC(C)COC 62a_100000765312_100000183359 [0,2,0,0,0,0|2,0,0]=4 9147 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,2,0,0,0,0|2,0,0]=4 9148 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,2,0,0,0,0|2,0,0]=4 9149 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,2,0,0,0,0|2,0,0]=4 9150 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,2,0,0,0,0|2,0,0]=4 9151 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,2,0,0,0,0|2,0,0]=4 9152 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|0,0,1]=3 9153 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|0,0,1]=3 9154 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|0,0,1]=3 9155 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,2,0,0,0,0|1,0,1]=4 9156 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,2,0,0,0,0|1,0,1]=4 9157 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,2,0,0,0,0|1,0,1]=4 9158 B10R0.108 COC(=O)CCC(=O)CC#N 1458a_100000187943_100011214920 [0,2,0,0,0,0|0,0,2]=4 9159 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|0,0,1]=3 9160 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|0,0,1]=3 9161 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|0,0,1]=3 9162 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|0,0,1]=3 9163 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|0,0,1]=3 9164 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|0,0,1]=3 9165 B10R0.108 COC(=O)CCN(C)CC#N 2230a_100000748184_100000204255 [0,2,0,0,0,0|1,0,1]=4 9166 B10R0.108 COC(=O)CCN(C)CC#N 269982a_100025711912_100011214920 [0,2,0,0,0,0|1,0,1]=4 9167 B10R0.108 COC(=O)CCN(C)CC=O 269982a_100025711912_200015260668 [0,2,0,0,0,0|1,0,1]=4 9168 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|1,0,0]=3 9169 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|1,0,0]=3 9170 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|1,0,0]=3 9171 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|1,0,0]=3 9172 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|1,0,0]=3 9173 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,2,0,0,0,0|1,0,1]=4 9174 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,2,0,0,0,0|1,0,1]=4 9175 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,2,0,0,0,0|1,0,1]=4 9176 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,2,0,0,0,0|1,0,1]=4 9177 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,2,0,0,0,0|1,0,1]=4 9178 B10R0.108 COC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000747449 [0,2,0,0,0,0|1,0,1]=4 9179 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|1,0,0]=3 9180 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,0]=3 9181 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|1,0,0]=3 9182 B10R0.108 COC(=O)CSC(C)CC#N 62a_100000747449_100009813641 [0,2,0,0,0,0|1,0,1]=4 9183 B10R0.108 COC(=O)CSC(C)CC#N 62a_100009813641_100000747449 [0,2,0,0,0,0|1,0,1]=4 9184 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|1,0,0]=3 9185 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|1,0,0]=3 9186 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,2,0,0,0,0|1,0,1]=4 9187 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,2,0,0,0,0|1,0,1]=4 9188 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|0,0,1]=3 9189 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,2,0,0,0,0|1,0,1]=4 9190 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,2,0,0,0,0|1,0,1]=4 9191 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [0,2,0,0,0,0|2,0,0]=4 9192 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [0,2,0,0,0,0|2,0,0]=4 9193 B10R0.108 COCC(=O)NCC(O)CO 34a_100138415774_200012027429 [0,2,0,0,0,0|2,0,0]=4 9194 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 9195 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 9196 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 9197 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,2,0,0,0,0|2,0,0]=4 9198 B10R0.108 COCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210968 [0,2,0,0,0,0|2,0,0]=4 9199 B10R0.108 COCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210968 [0,2,0,0,0,0|2,0,0]=4 9200 B10R0.108 COCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210968 [0,2,0,0,0,0|2,0,0]=4 9201 B10R0.108 COCC(=O)NC[C@H](O)CO 527a_100020644852_100000210968 [0,2,0,0,0,0|2,0,0]=4 9202 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|1,0,0]=3 9203 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|1,0,0]=3 9204 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,2,0,0,0,0|1,0,0]=3 9205 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|1,0,0]=3 9206 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|1,0,0]=3 9207 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [0,2,0,0,0,0|2,0,0]=4 9208 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [0,2,0,0,0,0|2,0,0]=4 9209 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,2,0,0,0,0|1,0,1]=4 9210 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,2,0,0,0,0|1,0,1]=4 9211 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|0,0,1]=3 9212 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|0,0,1]=3 9213 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [0,2,0,0,0,0|1,0,1]=4 9214 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|1,0,1]=4 9215 B10R0.35 CCCN(C)C(=O)C(=O)OC 11a_100000747261_100000024059 [0,2,0,0,0,0|1,0,1]=4 9216 B10R0.35 CCCN(C)C(=O)C(=O)OC 1626a_100000747261_100000024059 [0,2,0,0,0,0|1,0,1]=4 9217 B10R0.35 CCCN(C)C(=O)C(=O)OC 240690a_100000747261_100000024059 [0,2,0,0,0,0|1,0,1]=4 9218 B10R0.35 CCCN(C)C(=O)C(=O)OC 527a_100000747261_100000024059 [0,2,0,0,0,0|1,0,1]=4 9219 B10R0.35 CCCN(C)C(C)C(=O)CC 2230a_100000747261_100000742827 [0,2,0,0,0,0|2,0,0]=4 9220 B10R0.35 CCCN(C)C(C)C(=O)CC 269982a_100000747261_100000742827 [0,2,0,0,0,0|2,0,0]=4 9221 B10R0.35 CCCN(C)C(C)C(=O)NC 2230a_100000747261_100000731044 [0,2,0,0,0,0|2,0,0]=4 9222 B10R0.35 CCCN(C)C(C)C(=O)NC 269982a_100000747261_100000209862 [0,2,0,0,0,0|2,0,0]=4 9223 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [0,2,0,0,0,0|1,0,0]=3 9224 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [0,2,0,0,0,0|1,0,0]=3 9225 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [0,2,0,0,0,0|1,0,0]=3 9226 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [0,2,0,0,0,0|1,0,0]=3 9227 B10R0.35 CCCN(C)C(F)C(=O)NC 2230a_100000747261_100009813575 [0,2,0,0,0,0|2,0,0]=4 9228 B10R0.35 CCCN(C)C(F)C(=O)NC 269982a_100000747261_100009813575 [0,2,0,0,0,0|2,0,0]=4 9229 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 9230 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 9231 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [0,2,0,0,0,0|1,0,1]=4 9232 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|1,0,1]=4 9233 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|1,0,1]=4 9234 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210202 [0,2,0,0,0,0|2,0,0]=4 9235 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,0,0,0,0|1,0,0]=3 9236 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|1,0,1]=4 9237 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|1,0,1]=4 9238 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [0,2,0,0,0,0|1,0,1]=4 9239 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [0,2,0,0,0,0|1,0,1]=4 9240 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [0,2,0,0,0,0|1,0,1]=4 9241 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [0,2,0,0,0,0|1,0,1]=4 9242 B10R0.35 COC(=O)C(C)N(C)CCF 2230a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 9243 B10R0.35 COC(=O)C(C)N(C)CCF 269982a_100000725243_100011217306 [0,2,0,0,0,0|2,0,0]=4 9244 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 9245 B10R0.35 COC(=O)C(C)N(C)CCO 2230a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 9246 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000210263_100000211248 [0,2,0,0,0,0|2,0,0]=4 9247 B10R0.35 COC(=O)C(C)N(C)CCO 269982a_100000725243_100000211926 [0,2,0,0,0,0|2,0,0]=4 9248 B10R0.35 COC(=O)C(C)N(C)CSC 2230a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 9249 B10R0.35 COC(=O)C(C)N(C)CSC 269982a_100000725243_100011218213 [0,2,0,0,0,0|2,0,0]=4 9250 B10R0.35 COC(=O)[C@@H](N)[C@@H](C)OCF 34a_100000004424_100015361967 [0,2,0,0,0,0|2,0,0]=4 9251 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [0,2,0,0,0,0|1,0,1]=4 9252 B10R0.35 COCN(C)C(C)C(=O)OC 2230a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 9253 B10R0.35 COCN(C)C(C)C(=O)OC 269982a_100000725243_100000766300 [0,2,0,0,0,0|2,0,0]=4 9254 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|0,0,1]=3 9255 B10R0.46 CCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210202 [0,2,0,0,0,0|2,0,0]=4 9256 B10R0.46 CCC(=O)C(C)NC(C)CC 2230a_100000209981_100000742827 [0,2,0,0,0,0|2,0,0]=4 9257 B10R0.46 CCC(=O)C(C)OC(C)CC 7a_100000210228_100000742827 [0,2,0,0,0,0|2,0,0]=4 9258 B10R0.46 CCC(=O)C(C)SC(C)CC 62a_100000742827_100000758301 [0,2,0,0,0,0|2,0,0]=4 9259 B10R0.46 CCC(=O)C(C)SC(C)CC 62a_100000758301_100000742827 [0,2,0,0,0,0|2,0,0]=4 9260 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,2,0,0,0,0|1,0,1]=4 9261 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,2,0,0,0,0|1,0,1]=4 9262 B10R0.46 CCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210202 [0,2,0,0,0,0|2,0,0]=4 9263 B10R0.46 CCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747405 [0,2,0,0,0,0|2,0,0]=4 9264 B10R0.46 CCC(=O)N(C)CC(=O)OC 11a_100000198492_100000210414 [0,2,0,0,0,0|1,0,1]=4 9265 B10R0.46 CCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000210414 [0,2,0,0,0,0|1,0,1]=4 9266 B10R0.46 CCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000210414 [0,2,0,0,0,0|1,0,1]=4 9267 B10R0.46 CCC(=O)N(C)CC(=O)OC 527a_100000198492_100000210414 [0,2,0,0,0,0|1,0,1]=4 9268 B10R0.46 CCC(=O)N(C)CC(C)CC 11a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 9269 B10R0.46 CCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 9270 B10R0.46 CCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 9271 B10R0.46 CCC(=O)N(C)CC(C)CC 527a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 9272 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [0,2,0,0,0,0|1,0,1]=4 9273 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [0,2,0,0,0,0|1,0,1]=4 9274 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,2,0,0,0,0|0,0,1]=3 9275 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,2,0,0,0,0|0,0,1]=3 9276 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|1,0,1]=4 9277 B10R0.46 CCC(C)CN(C)C(=O)NC 2708a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 9278 B10R0.46 CCC(C)CN(C)C(=O)NC 273464a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 9279 B10R0.46 CCC(C)N(C)CC(=O)NC 2230a_100000189611_100000758301 [0,2,0,0,0,0|2,0,0]=4 9280 B10R0.46 CCC(C)N(C)CC(=O)NC 2230a_100000741768_100000183359 [0,2,0,0,0,0|2,0,0]=4 9281 B10R0.46 CCC(C)N(C)CC(=O)NC 269982a_100000741768_100000183359 [0,2,0,0,0,0|2,0,0]=4 9282 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [0,2,0,0,0,0|1,0,0]=3 9283 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [0,2,0,0,0,0|1,0,0]=3 9284 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [0,2,0,0,0,0|1,0,0]=3 9285 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|1,0,1]=4 9286 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|1,0,1]=4 9287 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|1,0,1]=4 9288 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|1,0,1]=4 9289 B10R0.46 CCC(C)NC(C)C(=O)NC 2230a_100000209981_100000731044 [0,2,0,0,0,0|2,0,0]=4 9290 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|1,0,0]=3 9291 B10R0.46 CCC(C)NC(F)C(=O)NC 2230a_100000209981_100009813575 [0,2,0,0,0,0|2,0,0]=4 9292 B10R0.46 CCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_100000758301 [0,2,0,0,0,0|2,0,0]=4 9293 B10R0.46 CCC(C)N[C@H](C)C(=O)NC 34a_100000684985_100011215416 [0,2,0,0,0,0|2,0,0]=4 9294 B10R0.46 CCC(C)OC(C)C(=O)NC 7a_100000210228_100000209862 [0,2,0,0,0,0|2,0,0]=4 9295 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|1,0,0]=3 9296 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|1,0,0]=3 9297 B10R0.46 CCC(C)OC(F)C(=O)NC 7a_100000210228_100009813575 [0,2,0,0,0,0|2,0,0]=4 9298 B10R0.46 CCC(C)SC(C)C(=O)NC 62a_100000209862_100000758301 [0,2,0,0,0,0|2,0,0]=4 9299 B10R0.46 CCC(C)SC(C)C(=O)NC 62a_100000758301_100000731044 [0,2,0,0,0,0|2,0,0]=4 9300 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|1,0,0]=3 9301 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|1,0,0]=3 9302 B10R0.46 CCC(C)SC(F)C(=O)NC 62a_100000758301_100009813575 [0,2,0,0,0,0|2,0,0]=4 9303 B10R0.46 CCC(C)SC(F)C(=O)NC 62a_100009813575_100000758301 [0,2,0,0,0,0|2,0,0]=4 9304 B10R0.46 CCC(O)C(=O)CC(=O)NC 1458a_100011196387_100000183359 [0,2,0,0,0,0|1,0,1]=4 9305 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [0,2,0,0,0,0|0,0,1]=3 9306 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|1,0,1]=4 9307 B10R0.46 CCN(C)C(=O)CC(=O)OC 240690a_100000225621_100000211351 [0,2,0,0,0,0|1,0,1]=4 9308 B10R0.46 CCN(C)C(C)CC(=O)NC 1626a_100102657272_200015187196 [0,2,0,0,0,0|2,0,0]=4 9309 B10R0.46 CCN(C)C(C)CC(=O)NC 2230a_100015186911_100000210202 [0,2,0,0,0,0|2,0,0]=4 9310 B10R0.46 CCN(C)C(C)CC(=O)NC 240690a_100102657272_200015187196 [0,2,0,0,0,0|2,0,0]=4 9311 B10R0.46 CCN(C)C(C)CC(=O)NC 269982a_100015186911_100000204670 [0,2,0,0,0,0|2,0,0]=4 9312 B10R0.46 CCN(C)C(C)CC(=O)NC 527a_100102657272_200015187196 [0,2,0,0,0,0|2,0,0]=4 9313 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [0,2,0,0,0,0|1,0,0]=3 9314 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [0,2,0,0,0,0|1,0,0]=3 9315 B10R0.46 CCN(C)CC(C)C(=O)NC 11a_106832991635_200015185930 [0,2,0,0,0,0|2,0,0]=4 9316 B10R0.46 CCN(C)CC(C)C(=O)NC 1626a_100102657272_200015185930 [0,2,0,0,0,0|2,0,0]=4 9317 B10R0.46 CCN(C)CC(C)C(=O)NC 240690a_100102657272_200015185930 [0,2,0,0,0,0|2,0,0]=4 9318 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|1,0,0]=3 9319 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|1,0,1]=4 9320 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,2,0,0,0,0|1,0,1]=4 9321 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,2,0,0,0,0|1,0,1]=4 9322 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,2,0,0,0,0|1,0,1]=4 9323 B10R0.46 COC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 9324 B10R0.46 COC(=O)C(C)OC(C)CF 34a_100016041109_100000211248 [0,2,0,0,0,0|2,0,0]=4 9325 B10R0.46 COC(=O)C(C)OC(C)CF 7a_100016041109_100000211248 [0,2,0,0,0,0|2,0,0]=4 9326 B10R0.46 COC(=O)C(C)OC(C)CN 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 9327 B10R0.46 COC(=O)C(C)OC(C)CO 34a_100011215400_100012180447 [0,2,0,0,0,0|2,0,0]=4 9328 B10R0.46 COC(=O)C(C)SC(C)CO 62a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 9329 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100000211248_100009879195 [0,2,0,0,0,0|2,0,0]=4 9330 B10R0.46 COC(=O)C(C)SC(C)OC 62a_100009879195_100000211248 [0,2,0,0,0,0|2,0,0]=4 9331 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100000211248_100016084084 [0,2,0,0,0,0|2,0,0]=4 9332 B10R0.46 COC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 9333 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [0,2,0,0,0,0|1,0,1]=4 9334 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [0,2,0,0,0,0|1,0,1]=4 9335 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [0,2,0,0,0,0|1,0,1]=4 9336 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [0,2,0,0,0,0|1,0,1]=4 9337 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [0,2,0,0,0,0|1,0,1]=4 9338 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [0,2,0,0,0,0|1,0,1]=4 9339 B10R0.46 COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747449 [0,2,0,0,0,0|1,0,1]=4 9340 B10R0.46 COC(=O)CC(C)C(=O)CF 1458a_100000037256_100015361967 [0,2,0,0,0,0|1,0,1]=4 9341 B10R0.46 COC(=O)CN(C)C(C)CO 2230a_100000198492_100012180447 [0,2,0,0,0,0|2,0,0]=4 9342 B10R0.46 COC(=O)CN(C)C(C)CO 2230a_100000693034_100000747449 [0,2,0,0,0,0|2,0,0]=4 9343 B10R0.46 COC(=O)CN(C)C(C)CO 269982a_100000693034_100000747449 [0,2,0,0,0,0|2,0,0]=4 9344 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,2,0,0,0,0|1,0,0]=3 9345 B10R0.81 C=C(C)C(=O)N(C)CCCC 11a_100000207549_100000185857 [0,2,0,0,0,0|2,0,0]=4 9346 B10R0.81 C=C(C)C(=O)N(C)CCCC 1626a_100000207549_100000185857 [0,2,0,0,0,0|2,0,0]=4 9347 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,2,0,0,0,0|1,0,1]=4 9348 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000210198_200011215066 [0,2,0,0,0,0|1,0,0]=3 9349 B10R0.81 CCCCC(C)C(=O)C(C)C 1458a_100000725509_100000210206 [0,2,0,0,0,0|1,0,0]=3 9350 B10R0.81 CCCCC(C)C(=O)C(C)F 1458a_100000062450_200011215066 [0,2,0,0,0,0|1,0,0]=3 9351 B10R0.81 CCCCC(C)C(=O)C(O)O 1458a_100000233687_200011215066 [0,2,0,0,0,0|2,0,0]=4 9352 B10R0.81 CCCCC(C)C(=O)N(C)C 11a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 9353 B10R0.81 CCCCC(C)C(=O)N(C)C 1626a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 9354 B10R0.81 CCCCC(C)C(=O)N(C)C 240690a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 9355 B10R0.81 CCCCC(C)C(=O)N(C)C 527a_100102631434_100000725509 [0,2,0,0,0,0|1,0,0]=3 9356 B10R0.81 CCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011215066 [0,2,0,0,0,0|1,0,0]=3 9357 B10R0.81 CCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011215066 [0,2,0,0,0,0|1,0,0]=3 9358 B10R0.81 CCCCC(O)C(=O)C(C)C 1458a_100000720857_100000210206 [0,2,0,0,0,0|1,0,0]=3 9359 B10R0.81 CCCCC(O)C(=O)N(C)C 240690a_100102631434_100000720857 [0,2,0,0,0,0|1,0,0]=3 9360 B10R0.81 CCCCC(O)C(=O)N(C)C 527a_100102631434_100000720857 [0,2,0,0,0,0|1,0,0]=3 9361 B10R0.81 CCCCN(C)C(=O)C(C)C 11a_100000207549_100000210198 [0,2,0,0,0,0|2,0,0]=4 9362 B10R0.81 CCCCN(C)C(=O)C(C)C 1626a_100000207549_100000210198 [0,2,0,0,0,0|2,0,0]=4 9363 B10R0.81 CCCCN(C)C(=O)C(C)C 240690a_100000207549_100000210198 [0,2,0,0,0,0|2,0,0]=4 9364 B10R0.81 CCCCN(C)C(=O)C(C)C 527a_100000207549_100000210198 [0,2,0,0,0,0|2,0,0]=4 9365 B10R0.81 CCCCN(C)C(=O)C(C)F 11a_100000207549_100000062450 [0,2,0,0,0,0|2,0,0]=4 9366 B10R0.81 CCCCN(C)C(=O)C(C)F 1626a_100000207549_100000062450 [0,2,0,0,0,0|2,0,0]=4 9367 B10R0.81 CCCCN(C)C(=O)C(C)F 240690a_100000207549_100000062450 [0,2,0,0,0,0|2,0,0]=4 9368 B10R0.81 CCCCN(C)C(=O)C(C)F 527a_100000207549_100000062450 [0,2,0,0,0,0|2,0,0]=4 9369 B10R0.81 CCCCN(C)C(=O)[C@@H](C)O 240690a_100000207549_100000717761 [0,2,0,0,0,0|2,0,0]=4 9370 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 1626a_100000207549_217856618621 [0,2,0,0,0,0|2,0,0]=4 9371 B10R0.81 CCCCN(C)C(=O)[C@H](C)O 240690a_100000207549_217856618621 [0,2,0,0,0,0|2,0,0]=4 9372 B10R0.81 CCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210303 [0,2,0,0,0,0|2,0,0]=4 9373 B10R0.81 CCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210303 [0,2,0,0,0,0|2,0,0]=4 9374 B10R0.81 CCCSC(C)C(=O)C(C)C 62a_100000210303_100009893295 [0,2,0,0,0,0|2,0,0]=4 9375 B10R0.81 CCCSC(C)C(=O)C(C)C 62a_100009893295_100000210303 [0,2,0,0,0,0|2,0,0]=4 9376 B10R0.81 CCCSC(C)C(=O)N(C)C 62a_100000209910_100000210303 [0,2,0,0,0,0|2,0,0]=4 9377 B10R0.81 CCCSC(C)C(=O)N(C)C 62a_100000210303_100000209910 [0,2,0,0,0,0|2,0,0]=4 9378 B10R0.81 CSCCC(O)C(=O)C(C)C 1458a_100000685904_100000210206 [0,2,0,0,0,0|2,0,0]=4 9379 B10R0.81 CSCCC(O)C(=O)N(C)C 240690a_100102631434_100000685904 [0,2,0,0,0,0|2,0,0]=4 9380 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [0,2,0,0,0,0|1,0,1]=4 9381 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,2,0,0,0,0|1,0,1]=4 9382 B10R0.85 CCC(NCCF)C(=O)OC 34a_100000724931_100000235869 [0,2,0,0,0,0|2,0,0]=4 9383 B10R0.85 CCC(NCCO)C(=O)OC 2230a_100016997473_100000235869 [0,2,0,0,0,0|2,0,0]=4 9384 B10R0.85 CCC(NCCO)C(=O)OC 34a_100016990907_100000235869 [0,2,0,0,0,0|2,0,0]=4 9385 B10R0.85 CCC(OCCBr)C(=O)OC 34a_100000211926_100000235869 [0,2,0,0,0,0|2,0,0]=4 9386 B10R0.85 CCC(OCCF)C(=O)OC 34a_100000695916_100011217306 [0,2,0,0,0,0|2,0,0]=4 9387 B10R0.85 CCC(OCCF)C(=O)OC 7a_100000695916_100011217306 [0,2,0,0,0,0|2,0,0]=4 9388 B10R0.85 CCC(OCCN)C(=O)OC 34a_100000210304_100000235869 [0,2,0,0,0,0|2,0,0]=4 9389 B10R0.85 CCC(OCCO)C(=O)OC 34a_100000695916_100000211926 [0,2,0,0,0,0|2,0,0]=4 9390 B10R0.85 CCC(OCCO)C(=O)OC 7a_100000695916_100000211926 [0,2,0,0,0,0|2,0,0]=4 9391 B10R0.85 CCC(OCSC)C(=O)OC 34a_100000695916_100011218213 [0,2,0,0,0,0|2,0,0]=4 9392 B10R0.85 CCC(SCCF)C(=O)OC 62a_100000235869_100011217306 [0,2,0,0,0,0|2,0,0]=4 9393 B10R0.85 CCC(SCCF)C(=O)OC 62a_100011217306_100000235869 [0,2,0,0,0,0|2,0,0]=4 9394 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000211926_100000235869 [0,2,0,0,0,0|2,0,0]=4 9395 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000235869_100000211926 [0,2,0,0,0,0|2,0,0]=4 9396 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000235869_100000766300 [0,2,0,0,0,0|2,0,0]=4 9397 B10R0.85 CCC(SCOC)C(=O)OC 62a_100000766300_100000235869 [0,2,0,0,0,0|2,0,0]=4 9398 B10R0.85 CCC(SCSC)C(=O)OC 62a_100000235869_100011218213 [0,2,0,0,0,0|2,0,0]=4 9399 B10R0.85 CCC(SCSC)C(=O)OC 62a_100011218213_100000235869 [0,2,0,0,0,0|2,0,0]=4 9400 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|1,0,0]=3 9401 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|1,0,0]=3 9402 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,2,0,0,0,0|2,0,0]=4 9403 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|2,0,0]=4 9404 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|1,0,0]=3 9405 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 9406 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 9407 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|1,0,0]=3 9408 B10R0.85 CCCCC(CC)C(C)OC 34a_200011290779_200000210301 [0,2,0,0,0,0|1,0,1]=4 9409 B10R0.85 CCCCC(CC)C(C)OC 7a_200011290779_200000210301 [0,2,0,0,0,0|1,0,1]=4 9410 B10R0.85 CCCCC(CC)C(C)O[13CH3] 34a_200011290779_200025704644 [0,2,0,0,0,0|1,0,1]=4 9411 B10R0.85 CCCCC(CC)C(C)O[13CH3] 7a_200011290779_200025704644 [0,2,0,0,0,0|1,0,1]=4 9412 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|0,0,0]=2 9413 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|0,0,0]=2 9414 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|0,0,0]=2 9415 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|0,0,0]=2 9416 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|0,0,0]=2 9417 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|0,0,0]=2 9418 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|0,0,0]=2 9419 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|0,0,0]=2 9420 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 9421 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 9422 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 9423 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 9424 B10R0.85 CCCCN(CC)C(=O)NC 2708a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 9425 B10R0.85 CCCCN(CC)C(=O)NC 273464a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 9426 B10R0.85 CCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210303 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.85 CCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210303 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,2,0,0,0,0|1,0,0]=3 9429 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [0,2,0,0,0,0|2,0,0]=4 9430 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [0,2,0,0,0,0|2,0,0]=4 9431 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,2,0,0,0,0|1,0,0]=3 9432 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,2,0,0,0,0|1,0,0]=3 9433 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,2,0,0,0,0|1,0,0]=3 9434 B10R0.85 CCCOC(CN)C(=O)OC 34a_100000695228_100000210303 [0,2,0,0,0,0|1,0,0]=3 9435 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [0,2,0,0,0,0|1,0,0]=3 9436 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000036821_100000210303 [0,2,0,0,0,0|1,0,0]=3 9437 B10R0.85 CCCOC(OC)C(=O)OC 34a_100000210258_100000101307 [0,2,0,0,0,0|1,0,0]=3 9438 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,2,0,0,0,0|1,0,0]=3 9439 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,2,0,0,0,0|1,0,0]=3 9440 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,2,0,0,0,0|1,0,0]=3 9441 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,2,0,0,0,0|1,0,0]=3 9442 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [0,2,0,0,0,0|1,0,0]=3 9443 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [0,2,0,0,0,0|1,0,0]=3 9444 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000101307_100000210303 [0,2,0,0,0,0|1,0,0]=3 9445 B10R0.85 CCCSC(OC)C(=O)OC 62a_100000210303_100000101307 [0,2,0,0,0,0|1,0,0]=3 9446 B10R0.85 COC(=O)C(C=O)NCCF 34a_100000724931_100000046368 [0,2,0,0,0,0|2,0,0]=4 9447 B10R0.85 COC(=O)C(C=O)NCCO 34a_100016990907_100000046368 [0,2,0,0,0,0|2,0,0]=4 9448 B10R0.85 COC(=O)C(C=O)OCCBr 34a_100000211926_100000046368 [0,2,0,0,0,0|2,0,0]=4 9449 B10R0.85 COC(=O)C(C=O)OCCN 34a_100000210304_100000046368 [0,2,0,0,0,0|2,0,0]=4 9450 B10R0.85 COC(=O)C(C=O)SCCF 62a_100000046368_100011217306 [0,2,0,0,0,0|2,0,0]=4 9451 B10R0.85 COC(=O)C(C=O)SCCF 62a_100011217306_100000046368 [0,2,0,0,0,0|2,0,0]=4 9452 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000046368_100000211926 [0,2,0,0,0,0|2,0,0]=4 9453 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000211926_100000046368 [0,2,0,0,0,0|2,0,0]=4 9454 B10R0.85 COC(=O)C(C=O)SCSC 62a_100000046368_100011218213 [0,2,0,0,0,0|2,0,0]=4 9455 B10R0.85 COC(=O)C(C=O)SCSC 62a_100011218213_100000046368 [0,2,0,0,0,0|2,0,0]=4 9456 B10R0.85 COC(=O)C(CN)OCCF 34a_100000695228_100011217306 [0,2,0,0,0,0|2,0,0]=4 9457 B10R0.85 COC(=O)C(CN)OCCO 34a_100000695228_100000211926 [0,2,0,0,0,0|2,0,0]=4 9458 B10R0.85 COC(=O)C(CN)OCSC 34a_100000695228_100011218213 [0,2,0,0,0,0|2,0,0]=4 9459 B10R0.85 COC(=O)C(CO)NCCF 34a_100000724931_100012276630 [0,2,0,0,0,0|2,0,0]=4 9460 B10R0.85 COC(=O)C(CO)NCCO 34a_100016990907_100012276630 [0,2,0,0,0,0|2,0,0]=4 9461 B10R0.85 COC(=O)C(CO)OCCBr 34a_100000211926_100012276630 [0,2,0,0,0,0|2,0,0]=4 9462 B10R0.85 COC(=O)C(CO)OCCN 34a_100000210304_100012276630 [0,2,0,0,0,0|2,0,0]=4 9463 B10R0.85 COC(=O)C(CO)SCCF 62a_100011217306_100012276630 [0,2,0,0,0,0|2,0,0]=4 9464 B10R0.85 COC(=O)C(CO)SCCF 62a_100012276630_100011217306 [0,2,0,0,0,0|2,0,0]=4 9465 B10R0.85 COC(=O)C(CO)SCCO 62a_100000211926_100012276630 [0,2,0,0,0,0|2,0,0]=4 9466 B10R0.85 COC(=O)C(CO)SCCO 62a_100012276630_100000211926 [0,2,0,0,0,0|2,0,0]=4 9467 B10R0.85 COC(=O)C(CO)SCSC 62a_100011218213_100012276630 [0,2,0,0,0,0|2,0,0]=4 9468 B10R0.85 COC(=O)C(CO)SCSC 62a_100012276630_100011218213 [0,2,0,0,0,0|2,0,0]=4 9469 B10R0.85 COC(=O)C(NCCF)OC 34a_100000724931_100000101307 [0,2,0,0,0,0|2,0,0]=4 9470 B10R0.85 COC(=O)C(NCCO)OC 34a_100016990907_100000101307 [0,2,0,0,0,0|2,0,0]=4 9471 B10R0.85 COC(=O)C(OC)OCCBr 34a_100000211926_100000101307 [0,2,0,0,0,0|2,0,0]=4 9472 B10R0.85 COC(=O)C(OC)OCCF 34a_100000036821_100011217306 [0,2,0,0,0,0|2,0,0]=4 9473 B10R0.85 COC(=O)C(OC)OCCN 34a_100000210304_100000101307 [0,2,0,0,0,0|2,0,0]=4 9474 B10R0.85 COC(=O)C(OC)OCCO 34a_100000036821_100000211926 [0,2,0,0,0,0|2,0,0]=4 9475 B10R0.85 COC(=O)C(OC)OCSC 34a_100000036821_100011218213 [0,2,0,0,0,0|2,0,0]=4 9476 B10R0.85 COC(=O)C(OC)SCCF 62a_100000101307_100011217306 [0,2,0,0,0,0|2,0,0]=4 9477 B10R0.85 COC(=O)C(OC)SCCF 62a_100011217306_100000101307 [0,2,0,0,0,0|2,0,0]=4 9478 B10R0.85 COC(=O)C(OC)SCCO 62a_100000101307_100000211926 [0,2,0,0,0,0|2,0,0]=4 9479 B10R0.85 COC(=O)C(OC)SCCO 62a_100000211926_100000101307 [0,2,0,0,0,0|2,0,0]=4 9480 B10R0.85 COC(=O)C(OC)SCSC 62a_100000101307_100011218213 [0,2,0,0,0,0|2,0,0]=4 9481 B10R0.85 COC(=O)C(OC)SCSC 62a_100011218213_100000101307 [0,2,0,0,0,0|2,0,0]=4 9482 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000046368_100000766300 [0,2,0,0,0,0|2,0,0]=4 9483 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000766300_100000046368 [0,2,0,0,0,0|2,0,0]=4 9484 B10R0.85 COCSC(CO)C(=O)OC 62a_100000766300_100012276630 [0,2,0,0,0,0|2,0,0]=4 9485 B10R0.85 COCSC(CO)C(=O)OC 62a_100012276630_100000766300 [0,2,0,0,0,0|2,0,0]=4 9486 B10R0.85 COCSC(OC)C(=O)OC 62a_100000101307_100000766300 [0,2,0,0,0,0|2,0,0]=4 9487 B10R0.85 COCSC(OC)C(=O)OC 62a_100000766300_100000101307 [0,2,0,0,0,0|2,0,0]=4 9488 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|1,0,0]=3 9489 B10R0.124 CCCCC(C)(C)C(=O)CF 1458a_100011216040_100015361967 [0,2,0,0,0,0|2,0,0]=4 9490 B10R0.124 CCCCC(C)(C)C(=O)NC 11a_106832991635_100011216040 [0,2,0,0,0,0|1,0,0]=3 9491 B10R0.124 CCCCC(C)(C)C(=O)NC 1626a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 9492 B10R0.124 CCCCC(C)(C)C(=O)NC 240690a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 9493 B10R0.124 CCCCC(C)(C)C(=O)NC 527a_100102657272_100011216040 [0,2,0,0,0,0|1,0,0]=3 9494 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|1,0,0]=3 9495 B10R0.124 CCCCC(C)(O)C(=O)CF 1458a_100000137666_100015361967 [0,2,0,0,0,0|2,0,0]=4 9496 B10R0.124 CCCCC(C)(O)C(=O)NC 240690a_100102657272_100000137666 [0,2,0,0,0,0|1,0,0]=3 9497 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|1,0,0]=3 9498 B10R0.124 CCCCC(F)(F)C(=O)CF 1458a_100000100317_100015361967 [0,2,0,0,0,0|2,0,0]=4 9499 B10R0.124 CCCCC(F)(F)C(=O)NC 11a_106832991635_100000100317 [0,2,0,0,0,0|1,0,0]=3 9500 B10R0.124 CCCCC(F)(F)C(=O)NC 1626a_100102657272_100000100317 [0,2,0,0,0,0|1,0,0]=3 9501 B10R0.124 CCCCC(F)(F)C(=O)NC 240690a_100102657272_100000100317 [0,2,0,0,0,0|1,0,0]=3 9502 B10R0.124 CCCCC(F)(F)C(=O)NC 527a_100102657272_100000100317 [0,2,0,0,0,0|1,0,0]=3 9503 B10R0.124 CCCOC(C)(C)C(=O)NC 34a_100000210258_100000732697 [0,2,0,0,0,0|2,0,0]=4 9504 B10R0.124 CCCOC(C)(C)C(=O)OC 34a_100011217581_100000210303 [0,2,0,0,0,0|1,0,0]=3 9505 B10R0.124 CCCOC(C)(C)C(=O)OC 7a_100011217581_100000210303 [0,2,0,0,0,0|1,0,0]=3 9506 B10R0.124 CCCOC(C)(F)C(=O)OC 34a_100000210258_200009867631 [0,2,0,0,0,0|1,0,0]=3 9507 B10R0.124 CCCOC(F)(F)C(=O)OC 34a_100000210258_100000211177 [0,2,0,0,0,0|1,0,0]=3 9508 B10R0.124 CCCSC(C)(C)C(=O)NC 62a_100000210303_100000732697 [0,2,0,0,0,0|2,0,0]=4 9509 B10R0.124 CCCSC(C)(C)C(=O)NC 62a_100000732697_100000210303 [0,2,0,0,0,0|2,0,0]=4 9510 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000210303_100000689032 [0,2,0,0,0,0|1,0,0]=3 9511 B10R0.124 CCCSC(C)(C)C(=O)OC 62a_100000689032_100000210303 [0,2,0,0,0,0|1,0,0]=3 9512 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_100000210303_200009867631 [0,2,0,0,0,0|1,0,0]=3 9513 B10R0.124 CCCSC(C)(F)C(=O)OC 62a_200009867631_100000210303 [0,2,0,0,0,0|1,0,0]=3 9514 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000210303_100000211177 [0,2,0,0,0,0|1,0,0]=3 9515 B10R0.124 CCCSC(F)(F)C(=O)OC 62a_100000211177_100000210303 [0,2,0,0,0,0|1,0,0]=3 9516 B10R0.124 CCOCC(C)(C)C(=O)NC 34a_100121572206_100000702813 [0,2,0,0,0,0|2,0,0]=4 9517 B10R0.124 CCOCC(C)(C)C(=O)OC 34a_100000709632_100000210202 [0,2,0,0,0,0|1,0,0]=3 9518 B10R0.124 CCOCC(C)(C)C(=O)OC 7a_100000709632_100000210202 [0,2,0,0,0,0|1,0,0]=3 9519 B10R0.124 CCOCC(F)(F)C(=O)OC 34a_100121572206_100010295740 [0,2,0,0,0,0|1,0,0]=3 9520 B10R0.124 CCSCC(C)(C)C(=O)NC 62a_100000210202_100000702813 [0,2,0,0,0,0|2,0,0]=4 9521 B10R0.124 CCSCC(C)(C)C(=O)NC 62a_100000702813_100000210202 [0,2,0,0,0,0|2,0,0]=4 9522 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000210202_100000684552 [0,2,0,0,0,0|1,0,0]=3 9523 B10R0.124 CCSCC(C)(C)C(=O)OC 62a_100000684552_100000210202 [0,2,0,0,0,0|1,0,0]=3 9524 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100000210202_100010295740 [0,2,0,0,0,0|1,0,0]=3 9525 B10R0.124 CCSCC(F)(F)C(=O)OC 62a_100010295740_100000210202 [0,2,0,0,0,0|1,0,0]=3 9526 B10R0.124 COC(=O)C(C)(C)COCF 34a_100000709632_100015361967 [0,2,0,0,0,0|2,0,0]=4 9527 B10R0.124 COC(=O)C(C)(C)COCF 7a_100000709632_100015361967 [0,2,0,0,0,0|2,0,0]=4 9528 B10R0.124 COC(=O)C(C)(C)CSCF 62a_100000684552_100015361967 [0,2,0,0,0,0|2,0,0]=4 9529 B10R0.124 COC(=O)C(C)(C)CSCF 62a_100015361967_100000684552 [0,2,0,0,0,0|2,0,0]=4 9530 B10R0.124 COC(=O)C(C)(C)NCCO 2230a_100016997473_100000689032 [0,2,0,0,0,0|2,0,0]=4 9531 B10R0.124 COC(=O)C(C)(C)OCCF 34a_100011217581_100011217306 [0,2,0,0,0,0|2,0,0]=4 9532 B10R0.124 COC(=O)C(C)(C)OCCF 7a_100011217581_100011217306 [0,2,0,0,0,0|2,0,0]=4 9533 B10R0.124 COC(=O)C(C)(C)OCCO 34a_100011217581_100000211926 [0,2,0,0,0,0|2,0,0]=4 9534 B10R0.124 COC(=O)C(C)(C)OCCO 7a_100011217581_100000211926 [0,2,0,0,0,0|2,0,0]=4 9535 B10R0.124 COC(=O)C(C)(C)OCSC 34a_100011217581_100011218213 [0,2,0,0,0,0|2,0,0]=4 9536 B10R0.124 COC(=O)C(C)(C)SCCF 62a_100000689032_100011217306 [0,2,0,0,0,0|2,0,0]=4 9537 B10R0.124 COC(=O)C(C)(C)SCCF 62a_100011217306_100000689032 [0,2,0,0,0,0|2,0,0]=4 9538 B10R0.124 COC(=O)C(C)(C)SCCO 62a_100000211926_100000689032 [0,2,0,0,0,0|2,0,0]=4 9539 B10R0.124 COC(=O)C(C)(C)SCCO 62a_100000689032_100000211926 [0,2,0,0,0,0|2,0,0]=4 9540 B10R0.124 COC(=O)C(C)(C)SCSC 62a_100000689032_100011218213 [0,2,0,0,0,0|2,0,0]=4 9541 B10R0.124 COC(=O)C(C)(C)SCSC 62a_100011218213_100000689032 [0,2,0,0,0,0|2,0,0]=4 9542 B10R0.124 COC(=O)C(C)(F)NCCF 34a_100000724931_200009867631 [0,2,0,0,0,0|2,0,0]=4 9543 B10R0.124 COC(=O)C(C)(F)NCCO 2230a_100016997473_200009867631 [0,2,0,0,0,0|2,0,0]=4 9544 B10R0.124 COC(=O)C(C)(F)NCCO 34a_100016990907_200009867631 [0,2,0,0,0,0|2,0,0]=4 9545 B10R0.124 COC(=O)C(C)(F)OCCBr 34a_100000211926_200009867631 [0,2,0,0,0,0|2,0,0]=4 9546 B10R0.124 COC(=O)C(C)(F)OCCN 34a_100000210304_200009867631 [0,2,0,0,0,0|2,0,0]=4 9547 B10R0.124 COC(=O)C(C)(F)SCCF 62a_100011217306_200009867631 [0,2,0,0,0,0|2,0,0]=4 9548 B10R0.124 COC(=O)C(C)(F)SCCF 62a_200009867631_100011217306 [0,2,0,0,0,0|2,0,0]=4 9549 B10R0.124 COC(=O)C(C)(F)SCCO 62a_100000211926_200009867631 [0,2,0,0,0,0|2,0,0]=4 9550 B10R0.124 COC(=O)C(C)(F)SCCO 62a_200009867631_100000211926 [0,2,0,0,0,0|2,0,0]=4 9551 B10R0.124 COC(=O)C(C)(F)SCSC 62a_100011218213_200009867631 [0,2,0,0,0,0|2,0,0]=4 9552 B10R0.124 COC(=O)C(C)(F)SCSC 62a_200009867631_100011218213 [0,2,0,0,0,0|2,0,0]=4 9553 B10R0.124 COC(=O)C(F)(F)CSCF 62a_100010295740_100015361967 [0,2,0,0,0,0|2,0,0]=4 9554 B10R0.124 COC(=O)C(F)(F)CSCF 62a_100015361967_100010295740 [0,2,0,0,0,0|2,0,0]=4 9555 B10R0.124 COC(=O)C(F)(F)NCCF 34a_100000724931_100000211177 [0,2,0,0,0,0|2,0,0]=4 9556 B10R0.124 COC(=O)C(F)(F)NCCO 34a_100016990907_100000211177 [0,2,0,0,0,0|2,0,0]=4 9557 B10R0.124 COC(=O)C(F)(F)OCCBr 34a_100000211926_100000211177 [0,2,0,0,0,0|2,0,0]=4 9558 B10R0.124 COC(=O)C(F)(F)OCCN 34a_100000210304_100000211177 [0,2,0,0,0,0|2,0,0]=4 9559 B10R0.124 COC(=O)C(F)(F)SCCF 62a_100000211177_100011217306 [0,2,0,0,0,0|2,0,0]=4 9560 B10R0.124 COC(=O)C(F)(F)SCCF 62a_100011217306_100000211177 [0,2,0,0,0,0|2,0,0]=4 9561 B10R0.124 COC(=O)C(F)(F)SCCO 62a_100000211177_100000211926 [0,2,0,0,0,0|2,0,0]=4 9562 B10R0.124 COC(=O)C(F)(F)SCCO 62a_100000211926_100000211177 [0,2,0,0,0,0|2,0,0]=4 9563 B10R0.124 COC(=O)C(F)(F)SCSC 62a_100000211177_100011218213 [0,2,0,0,0,0|2,0,0]=4 9564 B10R0.124 COC(=O)C(F)(F)SCSC 62a_100011218213_100000211177 [0,2,0,0,0,0|2,0,0]=4 9565 B10R0.124 COCSC(C)(C)C(=O)OC 62a_100000689032_100000766300 [0,2,0,0,0,0|2,0,0]=4 9566 B10R0.124 COCSC(C)(C)C(=O)OC 62a_100000766300_100000689032 [0,2,0,0,0,0|2,0,0]=4 9567 B10R0.124 COCSC(C)(F)C(=O)OC 62a_100000766300_200009867631 [0,2,0,0,0,0|2,0,0]=4 9568 B10R0.124 COCSC(C)(F)C(=O)OC 62a_200009867631_100000766300 [0,2,0,0,0,0|2,0,0]=4 9569 B10R0.124 COCSC(F)(F)C(=O)OC 62a_100000211177_100000766300 [0,2,0,0,0,0|2,0,0]=4 9570 B10R0.124 COCSC(F)(F)C(=O)OC 62a_100000766300_100000211177 [0,2,0,0,0,0|2,0,0]=4 9571 B10R0.42 CCCCCS(=O)(=O)N(C)C 270084a_100102631434_100000753860 [0,2,0,0,0,0|2,0,0]=4 9572 B10R0.42 CCCCCS(=O)(=O)N(C)C 274078a_100102631434_100000753860 [0,2,0,0,0,0|2,0,0]=4 9573 B10R0.62 CC(C)(CCCCCBr)O[13CH3] 7a_100010402123_200025704644 [0,2,0,0,0,0|1,0,1]=4 9574 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|1,0,1]=4 9575 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|1,0,1]=4 9576 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [0,2,0,0,0,0|2,0,0]=4 9577 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [0,2,0,0,0,0|2,0,0]=4 9578 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [0,2,0,0,0,0|2,0,0]=4 9579 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [0,2,0,0,0,0|2,0,0]=4 9580 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [0,2,0,0,0,0|2,0,0]=4 9581 B10R0.62 CCCCNCC(C)(C)OC 2230a_100000763424_100000210211 [0,2,0,0,0,0|1,0,1]=4 9582 B10R0.62 CCCCOCC(C)(C)OC 34a_100000210227_100000701081 [0,2,0,0,0,0|1,0,1]=4 9583 B10R0.62 CCCCSCC(C)(C)OC 62a_100000210211_100000701081 [0,2,0,0,0,0|1,0,1]=4 9584 B10R0.62 CCCCSCC(C)(C)OC 62a_100000701081_100000210210 [0,2,0,0,0,0|1,0,1]=4 9585 B10R0.62 CCCNCCS(=O)(=O)CC 2230a_100000751051_100000210303 [0,2,0,0,0,0|2,0,0]=4 9586 B10R0.62 CCCNCCS(=O)(=O)CC 34a_100000751051_100000210303 [0,2,0,0,0,0|2,0,0]=4 9587 B10R0.62 CCCNCCS(=O)(=O)NC 2230a_100000710037_100000210303 [0,2,0,0,0,0|2,0,0]=4 9588 B10R0.62 CCCNCCS(=O)(=O)NC 34a_100000710037_100000210303 [0,2,0,0,0,0|2,0,0]=4 9589 B10R0.62 CCCOCCC(C)(C)OC 7a_100000699976_100000210303 [0,2,0,0,0,0|1,0,1]=4 9590 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [0,2,0,0,0,0|2,0,0]=4 9591 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [0,2,0,0,0,0|2,0,0]=4 9592 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [0,2,0,0,0,0|2,0,0]=4 9593 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000210303_100000756660 [0,2,0,0,0,0|2,0,0]=4 9594 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000756660_100000210303 [0,2,0,0,0,0|2,0,0]=4 9595 B10R0.62 COC(C)(C)CCCCCBr 7a_100010402123_200000210301 [0,2,0,0,0,0|1,0,1]=4 9596 B10R0.115 CCC(=O)CCS(=O)(=O)CC 1458a_100000210414_100000756660 [0,2,0,0,0,0|2,0,0]=4 9597 B10R0.115 CCC(=O)COC(C)(C)CC 7a_100000210230_100000747405 [0,2,0,0,0,0|2,0,0]=4 9598 B10R0.115 CCC(=O)CSC(C)(C)CC 62a_100000032637_100000747405 [0,2,0,0,0,0|2,0,0]=4 9599 B10R0.115 CCC(=O)CSC(C)(C)CC 62a_100000747405_100000032637 [0,2,0,0,0,0|2,0,0]=4 9600 B10R0.115 CCC(C)(C)NCC(=O)NC 2230a_100000211385_100000183359 [0,2,0,0,0,0|2,0,0]=4 9601 B10R0.115 CCC(C)(C)NCC(=O)OC 2230a_100000211385_100000747449 [0,2,0,0,0,0|1,0,0]=3 9602 B10R0.115 CCC(C)(C)OCC(=O)NC 7a_100000210230_100000183359 [0,2,0,0,0,0|2,0,0]=4 9603 B10R0.115 CCC(C)(C)OCC(=O)OC 7a_100000210230_100000747449 [0,2,0,0,0,0|1,0,0]=3 9604 B10R0.115 CCC(C)(C)SCC(=O)NC 62a_100000032637_100000183359 [0,2,0,0,0,0|2,0,0]=4 9605 B10R0.115 CCC(C)(C)SCC(=O)NC 62a_100000183359_100000032637 [0,2,0,0,0,0|2,0,0]=4 9606 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000032637_100000747449 [0,2,0,0,0,0|1,0,0]=3 9607 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000747449_100000032637 [0,2,0,0,0,0|1,0,0]=3 9608 B10R0.115 CNS(=O)(=O)CCC(=O)OC 270084a_100102657272_100000205946 [0,2,0,0,0,0|2,0,0]=4 9609 B10R0.115 CNS(=O)(=O)CCC(=O)OC 274078a_100102657272_100000205946 [0,2,0,0,0,0|2,0,0]=4 9610 B10R0.115 COC(=O)CNC(C)(C)CO 2230a_100000210608_100000747449 [0,2,0,0,0,0|2,0,0]=4 9611 B10R0.115 COC(=O)COC(C)(C)CCl 7a_100000764493_100000747449 [0,2,0,0,0,0|2,0,0]=4 9612 B10R0.115 COC(=O)CSC(F)(F)CO 62a_100000747449_100011217949 [0,2,0,0,0,0|2,0,0]=4 9613 B10R0.115 COC(=O)CSC(F)(F)CO 62a_100011217949_100000747449 [0,2,0,0,0,0|2,0,0]=4 9614 B10R0.157 CCCOCP(=O)(OC)OC 34a_100000101693_100000210303 [0,2,0,0,0,0|2,0,0]=4 9615 B10R0.157 CCOCCP(=O)(OC)OC 34a_200000043213_100000210202 [0,2,0,0,0,0|2,0,0]=4 9616 B10R0.45 C#CC(CC)OCC(=O)CC 7a_100000758843_100000747405 [0,2,0,0,0,0|2,0,0]=4 9617 B10R0.45 C#CC(CC)OCC(=O)NC 34a_100000758843_100000183359 [0,2,0,0,0,0|2,0,0]=4 9618 B10R0.45 C#CC(CC)OCC(=O)NC 7a_100000758843_100000183359 [0,2,0,0,0,0|2,0,0]=4 9619 B10R0.45 C#CC(CC)OCC(=O)OC 34a_100000758843_100000747449 [0,2,0,0,0,0|1,0,0]=3 9620 B10R0.45 C#CC(CC)OCC(=O)OC 7a_100000758843_100000747449 [0,2,0,0,0,0|1,0,0]=3 9621 B10R0.45 C=CC(CC)OCC(=O)CC 7a_100000766422_100000747405 [0,2,0,0,0,0|2,0,0]=4 9622 B10R0.45 C=CC(CC)OCC(=O)NC 34a_100000766422_100000183359 [0,2,0,0,0,0|2,0,0]=4 9623 B10R0.45 C=CC(CC)OCC(=O)NC 7a_100000766422_100000183359 [0,2,0,0,0,0|2,0,0]=4 9624 B10R0.45 C=CC(CC)OCC(=O)OC 34a_100000766422_100000747449 [0,2,0,0,0,0|1,0,0]=3 9625 B10R0.45 C=CC(CC)OCC(=O)OC 7a_100000766422_100000747449 [0,2,0,0,0,0|1,0,0]=3 9626 B10R0.45 C=C[C@@H](CO)NCC(=O)OC 2230a_100016989147_100000747449 [0,2,0,0,0,0|2,0,0]=4 9627 B10R0.45 C=C[C@@H](CO)NCC(=O)OC 34a_100016989147_100000747449 [0,2,0,0,0,0|2,0,0]=4 9628 B10R0.45 CCC(=O)CCC(OC)OC 1458a_100000210414_100000139399 [0,2,0,0,0,0|2,0,0]=4 9629 B10R0.45 CCC(=O)CCC(OC)OC 1458a_200000082759_100000210202 [0,2,0,0,0,0|2,0,0]=4 9630 B10R0.45 CCC(=O)CCN(CC)CC 1458a_100000210414_100000700428 [0,2,0,0,0,0|2,0,0]=4 9631 B10R0.45 CCC(=O)CCN(CC)CC 1458a_100000750416_100000210202 [0,2,0,0,0,0|2,0,0]=4 9632 B10R0.45 CCC(=O)COC(CC)CC 1458a_100012002705_100000210202 [0,2,0,0,0,0|2,0,0]=4 9633 B10R0.45 CCC(=O)COC(CC)CC 7a_100000688536_100000747405 [0,2,0,0,0,0|2,0,0]=4 9634 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000210505_100000747405 [0,2,0,0,0,0|2,0,0]=4 9635 B10R0.45 CCC(=O)CSC(CC)CC 62a_100000747405_100000210505 [0,2,0,0,0,0|2,0,0]=4 9636 B10R0.45 CCC(=O)NCC(CC)CC 11a_100102946423_100000210414 [0,2,0,0,0,0|2,0,0]=4 9637 B10R0.45 CCC(=O)NCC(CC)CC 1626a_100102946423_100000210414 [0,2,0,0,0,0|2,0,0]=4 9638 B10R0.45 CCC(=O)NCC(CC)CC 240690a_100102946423_100000210414 [0,2,0,0,0,0|2,0,0]=4 9639 B10R0.45 CCC(=O)NCC(CC)CC 527a_100102946423_100000210414 [0,2,0,0,0,0|2,0,0]=4 9640 B10R0.45 CCC(=O)NCC(CC)OC 11a_100000731041_100000210414 [0,2,0,0,0,0|2,0,0]=4 9641 B10R0.45 CCC(=O)NCC(CC)OC 1626a_100000731041_100000210414 [0,2,0,0,0,0|2,0,0]=4 9642 B10R0.45 CCC(=O)NCC(CC)OC 240690a_100000731041_100000210414 [0,2,0,0,0,0|2,0,0]=4 9643 B10R0.45 CCC(=O)NCC(CC)OC 527a_100000731041_100000210414 [0,2,0,0,0,0|2,0,0]=4 9644 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102657272_100102946423 [0,2,0,0,0,0|2,0,0]=4 9645 B10R0.45 CCC(CC)CNC(=O)NC 2708a_100102946423_106832991635 [0,2,0,0,0,0|2,0,0]=4 9646 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102657272_100102946423 [0,2,0,0,0,0|2,0,0]=4 9647 B10R0.45 CCC(CC)CNC(=O)NC 273464a_100102946423_100102657272 [0,2,0,0,0,0|2,0,0]=4 9648 B10R0.45 CCC(CC)CNC(=O)NC 512a_100102946423_100102657272 [0,2,0,0,0,0|2,0,0]=4 9649 B10R0.45 CCC(CC)CNC(=O)NC 512a_106832991638_100102946423 [0,2,0,0,0,0|2,0,0]=4 9650 B10R0.45 CCC(CC)NCC(=O)NC 2230a_100000199018_100000183359 [0,2,0,0,0,0|2,0,0]=4 9651 B10R0.45 CCC(CC)NCC(=O)NC 270004a_100000693194_100000210860 [0,2,0,0,0,0|2,0,0]=4 9652 B10R0.45 CCC(CC)NCC(=O)OC 2230a_100000199018_100000747449 [0,2,0,0,0,0|1,0,0]=3 9653 B10R0.45 CCC(CC)OCC(=O)NC 11a_106832991635_100012002705 [0,2,0,0,0,0|2,0,0]=4 9654 B10R0.45 CCC(CC)OCC(=O)NC 1626a_100102657272_100012002705 [0,2,0,0,0,0|2,0,0]=4 9655 B10R0.45 CCC(CC)OCC(=O)NC 240690a_100102657272_100012002705 [0,2,0,0,0,0|2,0,0]=4 9656 B10R0.45 CCC(CC)OCC(=O)NC 527a_100102657272_100012002705 [0,2,0,0,0,0|2,0,0]=4 9657 B10R0.45 CCC(CC)OCC(=O)NC 7a_100000688536_100000183359 [0,2,0,0,0,0|2,0,0]=4 9658 B10R0.45 CCC(CC)OCC(=O)OC 7a_100000688536_100000747449 [0,2,0,0,0,0|1,0,0]=3 9659 B10R0.45 CCC(CC)SCC(=O)NC 62a_100000183359_100000210505 [0,2,0,0,0,0|2,0,0]=4 9660 B10R0.45 CCC(CC)SCC(=O)NC 62a_100000210505_100000183359 [0,2,0,0,0,0|2,0,0]=4 9661 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000210505_100000747449 [0,2,0,0,0,0|1,0,0]=3 9662 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000747449_100000210505 [0,2,0,0,0,0|1,0,0]=3 9663 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100000731041_106832991635 [0,2,0,0,0,0|2,0,0]=4 9664 B10R0.45 CCC(CNC(=O)NC)OC 2708a_100102657272_100000731041 [0,2,0,0,0,0|2,0,0]=4 9665 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100000731041_100102657272 [0,2,0,0,0,0|2,0,0]=4 9666 B10R0.45 CCC(CNC(=O)NC)OC 273464a_100102657272_100000731041 [0,2,0,0,0,0|2,0,0]=4 9667 B10R0.45 CCC(CNC(=O)NC)OC 512a_100000731041_100102657272 [0,2,0,0,0,0|2,0,0]=4 9668 B10R0.45 CCC(CNC(=O)NC)OC 512a_106832991638_100000731041 [0,2,0,0,0,0|2,0,0]=4 9669 B10R0.45 CCN(CC)CCC(=O)NC 11a_106832991635_100000750416 [0,2,0,0,0,0|2,0,0]=4 9670 B10R0.45 CCN(CC)CCC(=O)NC 2230a_100000724800_100000737683 [0,2,0,0,0,0|2,0,0]=4 9671 B10R0.45 CCN(CC)CCC(=O)NC 240690a_100102657272_100000750416 [0,2,0,0,0,0|2,0,0]=4 9672 B10R0.45 CCN(CC)CCC(=O)NC 269956a_100000042499_100000737683 [0,2,0,0,0,0|2,0,0]=4 9673 B10R0.45 CCN(CC)CCC(=O)NC 269982a_100000724800_100000737683 [0,2,0,0,0,0|2,0,0]=4 9674 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000229097_100000210202 [0,2,0,0,0,0|1,0,0]=3 9675 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000724800_100000204255 [0,2,0,0,0,0|1,0,0]=3 9676 B10R0.45 CCN(CC)CCC(=O)OC 269956a_100000042499_100000204255 [0,2,0,0,0,0|1,0,0]=3 9677 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000229097_100000204670 [0,2,0,0,0,0|1,0,0]=3 9678 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000724800_100000204255 [0,2,0,0,0,0|1,0,0]=3 9679 B10R0.45 CCN(CF)CCC(=O)OC 269982a_100000229097_100015361967 [0,2,0,0,0,0|1,0,0]=3 9680 B10R0.45 CC[C@@H](CO)NCC(=O)NC 2230a_100000709445_100000183359 [0,2,0,0,0,0|2,0,0]=4 9681 B10R0.45 CC[C@@H](CO)NCC(=O)OC 2230a_100000709445_100000747449 [0,2,0,0,0,0|1,0,0]=3 9682 B10R0.45 CNC(=O)CCC(OC)OC 11a_106832991635_200000082759 [0,2,0,0,0,0|2,0,0]=4 9683 B10R0.45 CNC(=O)CCC(OC)OC 1626a_100102657272_200000082759 [0,2,0,0,0,0|2,0,0]=4 9684 B10R0.45 CNC(=O)CCC(OC)OC 240690a_100102657272_200000082759 [0,2,0,0,0,0|2,0,0]=4 9685 B10R0.45 CNC(=O)CCC(OC)OC 527a_100102657272_200000082759 [0,2,0,0,0,0|2,0,0]=4 9686 B10R0.45 COC(=O)CNC(CO)CO 2230a_100000759517_100000747449 [0,2,0,0,0,0|2,0,0]=4 9687 B10R0.45 COC(=O)COC(CCl)CCl 7a_100000737055_100000747449 [0,2,0,0,0,0|2,0,0]=4 9688 B10R0.45 COC(=O)COC(CF)CF 34a_100000032261_100000747449 [0,2,0,0,0,0|2,0,0]=4 9689 B10R0.45 COC(=O)COC(CF)CF 7a_100000032261_100000747449 [0,2,0,0,0,0|2,0,0]=4 9690 B10R0.45 COC(=O)COC(CN)CN 34a_100000031598_100000747449 [0,2,0,0,0,0|2,0,0]=4 9691 B10R0.45 COC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 9692 B10R0.45 COC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 9693 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,2,0,0,0,0|0,0,2]=4 9694 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,2,0,0,0,0|0,0,2]=4 9695 B10R0.18 C#CCCN(C)CC(=O)OC 2230a_100000198492_100000688953 [0,2,0,0,0,0|0,0,2]=4 9696 B10R0.18 C#CCNC(C)CC(=O)OC 34a_100000212058_100009817358 [0,2,0,0,0,0|0,0,2]=4 9697 B10R0.18 C#CCOC(C)CC(=O)OC 34a_100000210247_100009817358 [0,2,0,0,0,0|0,0,2]=4 9698 B10R0.18 C#CCSC(C)CC(=O)OC 62a_100000038162_100009817358 [0,2,0,0,0,0|0,0,2]=4 9699 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,2,0,0,0,0|0,0,2]=4 9700 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,2,0,0,0,0|1,0,1]=4 9701 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,2,0,0,0,0|1,0,1]=4 9702 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,2,0,0,0,0|0,0,2]=4 9703 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,2,0,0,0,0|0,0,2]=4 9704 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100000198492_100000754431 [0,2,0,0,0,0|0,0,2]=4 9705 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100020639649_100000747449 [0,2,0,0,0,0|0,0,2]=4 9706 B10R0.18 C=CCCN(C)CC(=O)OC 269982a_100020639649_100000747449 [0,2,0,0,0,0|0,0,2]=4 9707 B10R0.18 C=CCNC(C)CC(=O)OC 2230a_100020586998_100009817358 [0,2,0,0,0,0|0,0,2]=4 9708 B10R0.18 C=CCOC(C)CC(=O)OC 34a_200000210373_100009817358 [0,2,0,0,0,0|0,0,2]=4 9709 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100000210623_100009817358 [0,2,0,0,0,0|0,0,2]=4 9710 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100009817358_100000210623 [0,2,0,0,0,0|0,0,2]=4 9711 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [0,2,0,0,0,0|0,0,2]=4 9712 B10R0.18 CC#CCN(C)CC(=O)OC 2230a_100000198492_100000748600 [0,2,0,0,0,0|0,0,2]=4 9713 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,2,0,0,0,0|0,0,2]=4 9714 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,2,0,0,0,0|0,0,2]=4 9715 B10R0.18 CC=CCN(C)CC(=O)OC 2230a_100000198492_100000070051 [0,2,0,0,0,0|0,0,2]=4 9716 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [0,2,0,0,0,0|0,0,2]=4 9717 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,0,1]=4 9718 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,1]=4 9719 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [0,2,0,0,0,0|2,0,0]=4 9720 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [0,2,0,0,0,0|2,0,0]=4 9721 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [0,2,0,0,0,0|2,0,0]=4 9722 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [0,2,0,0,0,0|0,0,2]=4 9723 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|1,0,0]=3 9724 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|1,0,0]=3 9725 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|0,0,0]=2 9726 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|0,0,0]=2 9727 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 9728 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 9729 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 9730 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|1,0,0]=3 9731 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|2,0,0]=4 9732 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|2,0,0]=4 9733 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|1,0,0]=3 9734 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|1,0,0]=3 9735 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|1,0,0]=3 9736 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|1,0,0]=3 9737 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|1,0,0]=3 9738 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|1,0,0]=3 9739 B10R0.18 CCCCC(C)SC(C)OC 62a_100009879195_200011215066 [0,2,0,0,0,0|1,0,1]=4 9740 B10R0.18 CCCCC(C)SC(C)OC 62a_200011215066_100009879195 [0,2,0,0,0,0|1,0,1]=4 9741 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|1,0,0]=3 9742 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,2,0,0,0,0|1,0,0]=3 9743 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,2,0,0,0,0|1,0,0]=3 9744 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,2,0,0,0,0|1,0,0]=3 9745 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|0,0,0]=2 9746 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|0,0,0]=2 9747 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|0,0,0]=2 9748 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|1,0,1]=4 9749 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|0,0,1]=3 9750 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|1,0,1]=4 9751 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|0,0,0]=2 9752 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|0,0,0]=2 9753 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|0,0,0]=2 9754 B10R0.18 CCNN=C(C)CC(=O)OC 4a_100000756455_100000210079 [0,2,0,0,0,0|1,0,1]=4 9755 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [0,2,0,0,0,0|1,0,1]=4 9756 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|1,0,1]=4 9757 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|1,0,1]=4 9758 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|0,0,1]=3 9759 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|0,0,0]=2 9760 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|1,0,1]=4 9761 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|1,0,1]=4 9762 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|0,0,1]=3 9763 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|0,0,1]=3 9764 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|0,0,1]=3 9765 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,2,0,0,0,0|1,0,1]=4 9766 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|0,0,0]=2 9767 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|0,0,0]=2 9768 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,0,1]=4 9769 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,1]=4 9770 B10R0.18 CNC(=O)CN(C)CCCF 2230a_100000189611_100011934791 [0,2,0,0,0,0|2,0,0]=4 9771 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000189611_100000230001 [0,2,0,0,0,0|2,0,0]=4 9772 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 9773 B10R0.18 CNC(=O)CN(C)CCCO 269982a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 9774 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000189611_100011201679 [0,2,0,0,0,0|2,0,0]=4 9775 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000743101_100000183359 [0,2,0,0,0,0|2,0,0]=4 9776 B10R0.18 CNC(=O)CN(C)CCOC 240690a_100102657272_100015184299 [0,2,0,0,0,0|2,0,0]=4 9777 B10R0.18 CNC(=O)CN(C)CCOC 269982a_100000743101_100000183359 [0,2,0,0,0,0|2,0,0]=4 9778 B10R0.18 CNC(=O)CN(C)CCOC 527a_100102657272_100015184299 [0,2,0,0,0,0|2,0,0]=4 9779 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000189611_100000751147 [0,2,0,0,0,0|2,0,0]=4 9780 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 9781 B10R0.18 CNC(=O)CN(C)CCSC 269982a_100000686725_100000183359 [0,2,0,0,0,0|2,0,0]=4 9782 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,2,0,0,0,0|0,0,2]=4 9783 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,2,0,0,0,0|0,0,2]=4 9784 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|0,0,1]=3 9785 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|0,0,1]=3 9786 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|0,0,1]=3 9787 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|0,0,1]=3 9788 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [0,2,0,0,0,0|1,0,1]=4 9789 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [0,2,0,0,0,0|1,0,1]=4 9790 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [0,2,0,0,0,0|1,0,1]=4 9791 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [0,2,0,0,0,0|1,0,1]=4 9792 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,2,0,0,0,0|1,0,0]=3 9793 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,2,0,0,0,0|1,0,0]=3 9794 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,2,0,0,0,0|1,0,0]=3 9795 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,2,0,0,0,0|1,0,0]=3 9796 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,2,0,0,0,0|1,0,0]=3 9797 B10R0.18 COC(=O)CC(C)SCC#N 62a_100009817358_100011215382 [0,2,0,0,0,0|1,0,1]=4 9798 B10R0.18 COC(=O)CC(C)SCC#N 62a_100011215382_100009817358 [0,2,0,0,0,0|1,0,1]=4 9799 B10R0.18 COC(=O)CC(C)SCC=O 62a_100009817358_200015260668 [0,2,0,0,0,0|1,0,1]=4 9800 B10R0.18 COC(=O)CC(C)SCC=O 62a_200015260668_100009817358 [0,2,0,0,0,0|1,0,1]=4 9801 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,2,0,0,0,0|1,0,0]=3 9802 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,2,0,0,0,0|1,0,0]=3 9803 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,2,0,0,0,0|1,0,0]=3 9804 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,2,0,0,0,0|1,0,0]=3 9805 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,2,0,0,0,0|1,0,0]=3 9806 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,2,0,0,0,0|1,0,0]=3 9807 B10R0.18 COC(=O)CN(C)CCC#N 2230a_100000184479_100000747449 [0,2,0,0,0,0|1,0,1]=4 9808 B10R0.18 COC(=O)CN(C)CCC#N 2230a_100000198492_100011215226 [0,2,0,0,0,0|1,0,1]=4 9809 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,2,0,0,0,0|1,0,0]=3 9810 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,2,0,0,0,0|1,0,0]=3 9811 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 9812 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 9813 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,2,0,0,0,0|1,0,0]=3 9814 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,2,0,0,0,0|1,0,0]=3 9815 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,2,0,0,0,0|1,0,0]=3 9816 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [0,2,0,0,0,0|1,0,0]=3 9817 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [0,2,0,0,0,0|1,0,0]=3 9818 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|0,0,1]=3 9819 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|0,0,1]=3 9820 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,2,0,0,0,0|1,0,0]=3 9821 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,2,0,0,0,0|1,0,0]=3 9822 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,2,0,0,0,0|1,0,0]=3 9823 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [0,2,0,0,0,0|1,0,0]=3 9824 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [0,2,0,0,0,0|1,0,0]=3 9825 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,2,0,0,0,0|1,0,1]=4 9826 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|1,0,0]=3 9827 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,2,0,0,0,0|2,0,0]=4 9829 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,2,0,0,0,0|1,0,1]=4 9830 B10R0.26 C=C(CCC)CC(=O)N(C)C 11a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 9831 B10R0.26 C=C(CCC)CC(=O)N(C)C 240690a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 9832 B10R0.26 C=C(CCC)CC(=O)N(C)C 527a_100102631434_100000138376 [0,2,0,0,0,0|1,0,1]=4 9833 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|1,0,1]=4 9834 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,2,0,0,0,0|1,0,1]=4 9835 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,2,0,0,0,0|1,0,1]=4 9836 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,2,0,0,0,0|1,0,1]=4 9837 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,2,0,0,0,0|1,0,1]=4 9838 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|1,0,1]=4 9839 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|1,0,1]=4 9840 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|1,0,0]=3 9841 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|1,0,0]=3 9842 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|1,0,0]=3 9843 B10R0.26 CCCC(C)CC(=O)C(O)O 1458a_100000233687_100011216630 [0,2,0,0,0,0|2,0,0]=4 9844 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9845 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9846 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9847 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,2,0,0,0,0|1,0,0]=3 9848 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|1,0,0]=3 9849 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|1,0,0]=3 9850 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 9851 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 9852 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 9853 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,2,0,0,0,0|2,0,0]=4 9854 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 9855 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 9856 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 9857 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,2,0,0,0,0|2,0,0]=4 9858 B10R0.26 CCCC(C)NC(=O)N(C)C 2708a_100000741246_100102631434 [0,2,0,0,0,0|2,0,0]=4 9859 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,2,0,0,0,0|2,0,0]=4 9860 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,2,0,0,0,0|2,0,0]=4 9861 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,2,0,0,0,0|2,0,0]=4 9862 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|2,0,0]=4 9863 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,2,0,0,0,0|2,0,0]=4 9864 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,2,0,0,0,0|2,0,0]=4 9865 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210303 [0,2,0,0,0,0|2,0,0]=4 9866 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000213585_200000210301 [0,2,0,0,0,0|2,0,0]=4 9867 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000747261_100000185267 [0,2,0,0,0,0|2,0,0]=4 9868 B10R0.26 CCCN(C)CC(=O)N(C)C 269982a_100000747261_100000185267 [0,2,0,0,0,0|2,0,0]=4 9869 B10R0.26 CCCN([13CH3])CC(=O)N(C)C 2230a_100000213585_200025704644 [0,2,0,0,0,0|2,0,0]=4 9870 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,2,0,0,0,0|2,0,0]=4 9871 B10R0.26 CCCS(=O)CC(=O)N(C)C 11a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 9872 B10R0.26 CCCS(=O)CC(=O)N(C)C 1626a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 9873 B10R0.26 CCCS(=O)CC(=O)N(C)C 240690a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 9874 B10R0.26 CCCS(=O)CC(=O)N(C)C 527a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 9875 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [0,2,0,0,0,0|2,0,0]=4 9876 B10R0.26 CCSC(C)CC(=O)N(C)C 11a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 9877 B10R0.26 CCSC(C)CC(=O)N(C)C 1626a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 9878 B10R0.26 CCSC(C)CC(=O)N(C)C 240690a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 9879 B10R0.26 CCSC(C)CC(=O)N(C)C 527a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 9880 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [0,2,0,0,0,0|0,0,0]=2 9881 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [0,2,0,0,0,0|0,0,0]=2 9882 B10R0.29 CCCC(CC)NC(=O)CC 11a_100000747048_100000210414 [0,2,0,0,0,0|2,0,0]=4 9883 B10R0.29 CCCC(CC)NC(=O)CC 1626a_100000747048_100000210414 [0,2,0,0,0,0|2,0,0]=4 9884 B10R0.29 CCCC(CC)NC(=O)CC 240690a_100000747048_100000210414 [0,2,0,0,0,0|2,0,0]=4 9885 B10R0.29 CCCC(CC)NC(=O)CC 527a_100000747048_100000210414 [0,2,0,0,0,0|2,0,0]=4 9886 B10R0.29 CCCC(CC)NC(=O)NC 2708a_100000747048_106832991635 [0,2,0,0,0,0|2,0,0]=4 9887 B10R0.29 CCCC(CC)NC(=O)NC 2708a_100102657272_100000747048 [0,2,0,0,0,0|2,0,0]=4 9888 B10R0.29 CCCC(CC)NC(=O)NC 273464a_100000747048_100102657272 [0,2,0,0,0,0|2,0,0]=4 9889 B10R0.29 CCCC(CC)NC(=O)NC 273464a_100102657272_100000747048 [0,2,0,0,0,0|2,0,0]=4 9890 B10R0.29 CCCC(CC)NC(=O)NC 512a_100000747048_100102657272 [0,2,0,0,0,0|2,0,0]=4 9891 B10R0.29 CCCC(CC)NC(=O)NC 512a_106832991638_100000747048 [0,2,0,0,0,0|2,0,0]=4 9892 B10R0.29 CCCN(CC)CC(=O)CC 269982a_100000226822_100000747405 [0,2,0,0,0,0|2,0,0]=4 9893 B10R0.29 CCCN(CC)CC(=O)NC 2230a_100000226822_100000183359 [0,2,0,0,0,0|2,0,0]=4 9894 B10R0.29 CCCN(CC)CC(=O)NC 269982a_100000226822_100000183359 [0,2,0,0,0,0|2,0,0]=4 9895 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [0,2,0,0,0,0|1,0,0]=3 9896 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [0,2,0,0,0,0|1,0,0]=3 9897 B10R0.29 CCC[C@@H](CO)NC(=O)CC 240690a_100000732646_100000210414 [0,2,0,0,0,0|2,0,0]=4 9898 B10R0.29 CCC[C@@H](CO)NC(=O)CC 527a_100000732646_100000210414 [0,2,0,0,0,0|2,0,0]=4 9899 B10R0.29 CCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000732646 [0,2,0,0,0,0|2,0,0]=4 9900 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100000732646_100102657272 [0,2,0,0,0,0|2,0,0]=4 9901 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000732646 [0,2,0,0,0,0|2,0,0]=4 9902 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_100000732646_100102657272 [0,2,0,0,0,0|2,0,0]=4 9903 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_106832991638_100000732646 [0,2,0,0,0,0|2,0,0]=4 9904 B10R0.29 CCN(CCO)CC(=O)OC 2230a_100000210973_100000747449 [0,2,0,0,0,0|2,0,0]=4 9905 B10R0.29 CCN(CCO)CC(=O)OC 269982a_100000210973_100000747449 [0,2,0,0,0,0|2,0,0]=4 9906 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [0,2,0,0,0,0|1,0,0]=3 9907 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [0,2,0,0,0,0|1,0,0]=3 9908 B10R0.29 CC[C@@H](CC(=O)OC)OCF 7a_200015357724_100015361967 [0,2,0,0,0,0|2,0,0]=4 9909 B10R0.29 COC(=O)C[C@H](CCl)OCF 7a_100000754131_100015361967 [0,2,0,0,0,0|2,0,0]=4 9910 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [0,2,0,0,0,0|1,0,0]=3 9911 B10R0.148 CCCC(C)(O)CC(=O)CF 1458a_100011667670_100015361967 [0,2,0,0,0,0|2,0,0]=4 9912 B10R0.148 CCCC(C)(O)CC(=O)NC 240690a_100102657272_100011667670 [0,2,0,0,0,0|1,0,0]=3 9913 B10R0.148 CCCC(C)(O)CC(=O)NC 527a_100102657272_100011667670 [0,2,0,0,0,0|1,0,0]=3 9914 B10R0.148 CCNS(=O)(=O)CC(=O)OC 270084a_100015525214_100000736875 [0,2,0,0,0,0|2,0,0]=4 9915 B10R0.148 CCNS(=O)(=O)CC(=O)OC 274078a_100015525214_100000736875 [0,2,0,0,0,0|2,0,0]=4 9916 B10R0.148 CCOC(C)(C)CC(=O)OC 7a_100015205050_100000210202 [0,2,0,0,0,0|1,0,0]=3 9917 B10R0.148 COC(=O)CC(C)(C)OCF 7a_100015205050_100015361967 [0,2,0,0,0,0|2,0,0]=4 9918 B10R0.41 C#CC(CCCCCBr)OC 34a_200010408556_200000210301 [0,2,0,0,0,0|1,0,1]=4 9919 B10R0.41 C#CC(CCCCCBr)OC 7a_200010408556_200000210301 [0,2,0,0,0,0|1,0,1]=4 9920 B10R0.41 C#CC(CCCCCBr)O[13CH3] 34a_200010408556_200025704644 [0,2,0,0,0,0|1,0,1]=4 9921 B10R0.41 C#CC(CCCCCBr)O[13CH3] 7a_200010408556_200025704644 [0,2,0,0,0,0|1,0,1]=4 9922 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 9923 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 9924 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 9925 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 9926 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|1,0,1]=4 9927 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|1,0,1]=4 9928 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|1,0,1]=4 9929 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|1,0,1]=4 9930 B10R0.41 CCCCNCC(OC)OC 2230a_100000102301_100000751394 [0,2,0,0,0,0|0,0,2]=4 9931 B10R0.41 CCCCNCC(OC)OC 270004a_100000102301_100000752162 [0,2,0,0,0,0|0,0,2]=4 9932 B10R0.41 CCCCNCC(OC)OC 7a_106832991798_100000751394 [0,2,0,0,0,0|0,0,2]=4 9933 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,2,0,0,0,0|1,0,1]=4 9934 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,2,0,0,0,0|1,0,1]=4 9935 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [0,2,0,0,0,0|0,0,2]=4 9936 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [0,2,0,0,0,0|0,0,2]=4 9937 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [0,2,0,0,0,0|0,0,2]=4 9938 B10R0.41 CCCCSCC(OC)OC 62a_100000210211_100000751394 [0,2,0,0,0,0|0,0,2]=4 9939 B10R0.41 CCCCSCC(OC)OC 62a_100000751394_100000210210 [0,2,0,0,0,0|0,0,2]=4 9940 B10R0.41 CCCOCCC(OC)OC 34a_100000210258_100000139399 [0,2,0,0,0,0|0,0,2]=4 9941 B10R0.41 CCCSCCC(OC)OC 62a_100000139399_100000210303 [0,2,0,0,0,0|0,0,2]=4 9942 B10R0.41 CCCSCCC(OC)OC 62a_100000210303_100000139399 [0,2,0,0,0,0|0,0,2]=4 9943 B10R0.41 CCN(CCCCOC)N=O 34a_200000035056_200000210301 [0,2,0,0,0,0|2,0,0]=4 9944 B10R0.41 CCN(CCCCO[13CH3])N=O 34a_200000035056_200025704644 [0,2,0,0,0,0|2,0,0]=4 9945 B10R0.41 CCNCCCC(OC)OC 2230a_100015525214_100000069011 [0,2,0,0,0,0|0,0,2]=4 9946 B10R0.41 CCOCCCC(OC)OC 34a_100121572206_100000069011 [0,2,0,0,0,0|0,0,2]=4 9947 B10R0.41 CCSCCCC(OC)OC 62a_100000069011_100000210202 [0,2,0,0,0,0|0,0,2]=4 9948 B10R0.41 CCSCCCC(OC)OC 62a_100000210202_100000069011 [0,2,0,0,0,0|0,0,2]=4 9949 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,2,0,0,0,0|1,0,1]=4 9950 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,2,0,0,0,0|1,0,1]=4 9951 B10R0.55 C=C(Br)CCOCC(=O)OC 34a_100009813270_100000747449 [0,2,0,0,0,0|0,0,2]=4 9952 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,2,0,0,0,0|1,0,1]=4 9953 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,2,0,0,0,0|1,0,1]=4 9954 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,2,0,0,0,0|1,0,1]=4 9955 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,2,0,0,0,0|1,0,1]=4 9956 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|0,0,1]=3 9957 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,2,0,0,0,0|1,0,1]=4 9958 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,2,0,0,0,0|1,0,1]=4 9959 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,2,0,0,0,0|1,0,1]=4 9960 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,2,0,0,0,0|1,0,1]=4 9961 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,2,0,0,0,0|0,0,1]=3 9962 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,2,0,0,0,0|0,0,1]=3 9963 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,2,0,0,0,0|1,0,1]=4 9964 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,2,0,0,0,0|1,0,1]=4 9965 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,2,0,0,0,0|1,0,1]=4 9966 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,2,0,0,0,0|1,0,1]=4 9967 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,2,0,0,0,0|0,0,1]=3 9968 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,2,0,0,0,0|1,0,1]=4 9969 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,2,0,0,0,0|1,0,1]=4 9970 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,2,0,0,0,0|0,0,1]=3 9971 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,2,0,0,0,0|0,0,1]=3 9972 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,2,0,0,0,0|1,0,1]=4 9973 B10R0.55 C=C(F)COCCC(=O)OC 34a_200010262243_100000742370 [0,2,0,0,0,0|0,0,2]=4 9974 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [0,2,0,0,0,0|0,0,2]=4 9975 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [0,2,0,0,0,0|0,0,2]=4 9976 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,2,0,0,0,0|1,0,1]=4 9977 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|1,0,1]=4 9978 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,2,0,0,0,0|1,0,1]=4 9979 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,2,0,0,0,0|1,0,1]=4 9980 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|2,0,0]=4 9981 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|2,0,0]=4 9982 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|2,0,0]=4 9983 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|2,0,0]=4 9984 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|2,0,0]=4 9985 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,2,0,0,0,0|2,0,0]=4 9986 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,2,0,0,0,0|2,0,0]=4 9987 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|1,0,0]=3 9988 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|1,0,0]=3 9989 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|1,0,0]=3 9990 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|1,0,1]=4 9991 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|1,0,1]=4 9992 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,2,0,0,0,0|1,0,1]=4 9993 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|1,0,1]=4 9994 B10R0.55 CCC(=O)CCOCC(F)F 1458a_100000210414_200012177212 [0,2,0,0,0,0|2,0,0]=4 9995 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,2,0,0,0,0|1,0,1]=4 9996 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|1,0,0]=3 9997 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|1,0,0]=3 9998 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|1,0,0]=3 9999 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [0,2,0,0,0,0|2,0,0]=4 10000 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,2,0,0,0,0|1,0,1]=4 10001 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,2,0,0,0,0|1,0,1]=4 10002 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|1,0,0]=3 10003 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|1,0,0]=3 10004 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|1,0,0]=3 10005 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|1,0,0]=3 10006 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,2,0,0,0,0|2,0,0]=4 10007 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,2,0,0,0,0|2,0,0]=4 10008 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,2,0,0,0,0|2,0,0]=4 10009 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 10010 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 10011 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 10012 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|1,0,0]=3 10013 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 10014 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,2,0,0,0,0|2,0,0]=4 10015 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,2,0,0,0,0|2,0,0]=4 10016 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,2,0,0,0,0|2,0,0]=4 10017 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,2,0,0,0,0|2,0,0]=4 10018 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,2,0,0,0,0|2,0,0]=4 10019 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 10020 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 10021 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 10022 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,2,0,0,0,0|2,0,0]=4 10023 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,2,0,0,0,0|2,0,0]=4 10024 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,2,0,0,0,0|2,0,0]=4 10025 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 10026 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 10027 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 10028 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,2,0,0,0,0|2,0,0]=4 10029 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,2,0,0,0,0|2,0,0]=4 10030 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|1,0,0]=3 10031 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 10032 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 10033 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 10034 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,2,0,0,0,0|1,0,0]=3 10035 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,2,0,0,0,0|1,0,0]=3 10036 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,2,0,0,0,0|1,0,0]=3 10037 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 10038 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,2,0,0,0,0|1,0,1]=4 10039 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 10040 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 10041 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 10042 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,2,0,0,0,0|1,0,1]=4 10043 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 10044 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,2,0,0,0,0|1,0,0]=3 10045 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,2,0,0,0,0|1,0,0]=3 10046 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,2,0,0,0,0|1,0,0]=3 10047 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,2,0,0,0,0|1,0,0]=3 10048 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,2,0,0,0,0|1,0,0]=3 10049 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,2,0,0,0,0|1,0,0]=3 10050 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,2,0,0,0,0|1,0,0]=3 10051 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,2,0,0,0,0|1,0,0]=3 10052 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,2,0,0,0,0|1,0,0]=3 10053 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,2,0,0,0,0|1,0,0]=3 10054 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,2,0,0,0,0|1,0,0]=3 10055 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,2,0,0,0,0|1,0,0]=3 10056 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,2,0,0,0,0|1,0,0]=3 10057 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,2,0,0,0,0|1,0,0]=3 10058 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,2,0,0,0,0|1,0,0]=3 10059 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,2,0,0,0,0|1,0,0]=3 10060 B10R0.55 CNC(=O)CCNCC(F)F 2230a_100000738227_100011934356 [0,2,0,0,0,0|2,0,0]=4 10061 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000738227_100011934356 [0,2,0,0,0,0|2,0,0]=4 10062 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000765723_100012179268 [0,2,0,0,0,0|2,0,0]=4 10063 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,2,0,0,0,0|1,0,0]=3 10064 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,2,0,0,0,0|1,0,0]=3 10065 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,2,0,0,0,0|1,0,1]=4 10066 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,2,0,0,0,0|1,0,0]=3 10067 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,2,0,0,0,0|1,0,0]=3 10068 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,2,0,0,0,0|1,0,0]=3 10069 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,2,0,0,0,0|1,0,0]=3 10070 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,2,0,0,0,0|1,0,0]=3 10071 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000743014_100012179268 [0,2,0,0,0,0|2,0,0]=4 10072 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000754576_100011934356 [0,2,0,0,0,0|2,0,0]=4 10073 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,2,0,0,0,0|1,0,0]=3 10074 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,2,0,0,0,0|1,0,0]=3 10075 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,2,0,0,0,0|1,0,0]=3 10076 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,2,0,0,0,0|1,0,0]=3 10077 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,2,0,0,0,0|1,0,0]=3 10078 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,2,0,0,0,0|1,0,0]=3 10079 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,2,0,0,0,0|1,0,0]=3 10080 B10R0.55 CNC(=O)CCSCC(F)F 62a_100000737683_100011934356 [0,2,0,0,0,0|2,0,0]=4 10081 B10R0.55 CNC(=O)CCSCC(F)F 62a_100011934356_100000737683 [0,2,0,0,0,0|2,0,0]=4 10082 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,2,0,0,0,0|1,0,0]=3 10083 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,2,0,0,0,0|1,0,0]=3 10084 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,2,0,0,0,0|1,0,0]=3 10085 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,2,0,0,0,0|1,0,0]=3 10086 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|1,0,0]=3 10087 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|1,0,0]=3 10088 B10R0.55 CNC(=O)CNCOC(C)C 2230a_100000693194_100000709892 [0,2,0,0,0,0|2,0,0]=4 10089 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,2,0,0,0,0|1,0,1]=4 10090 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,2,0,0,0,0|1,0,1]=4 10091 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,2,0,0,0,0|1,0,0]=3 10092 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,2,0,0,0,0|1,0,0]=3 10093 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,2,0,0,0,0|1,0,0]=3 10094 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,2,0,0,0,0|1,0,0]=3 10095 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|1,0,0]=3 10096 B10R0.55 CNC(=O)COCCC(F)F 34a_100103093639_100000183359 [0,2,0,0,0,0|2,0,0]=4 10097 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|1,0,0]=3 10098 B10R0.55 CNC(=O)COCOC(C)C 34a_100000750040_100000709892 [0,2,0,0,0,0|2,0,0]=4 10099 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,2,0,0,0,0|1,0,1]=4 10100 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,2,0,0,0,0|1,0,1]=4 10101 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,2,0,0,0,0|1,0,0]=3 10102 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,2,0,0,0,0|1,0,0]=3 10103 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|1,0,0]=3 10104 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|1,0,0]=3 10105 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,2,0,0,0,0|2,0,0]=4 10106 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,2,0,0,0,0|2,0,0]=4 10107 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,2,0,0,0,0|2,0,0]=4 10108 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|1,0,0]=3 10109 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|1,0,0]=3 10110 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|1,0,0]=3 10111 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|1,0,0]=3 10112 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|1,0,0]=3 10113 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|1,0,0]=3 10114 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 10115 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,2,0,0,0,0|2,0,0]=4 10116 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 10117 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,2,0,0,0,0|2,0,0]=4 10118 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,2,0,0,0,0|2,0,0]=4 10119 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,2,0,0,0,0|2,0,0]=4 10120 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,2,0,0,0,0|2,0,0]=4 10121 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,2,0,0,0,0|2,0,0]=4 10122 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,2,0,0,0,0|2,0,0]=4 10123 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,2,0,0,0,0|2,0,0]=4 10124 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,2,0,0,0,0|2,0,0]=4 10125 B10R0.55 CNC(=O)NCCNC(C)C 34a_100015205895_100000210206 [0,2,0,0,0,0|2,0,0]=4 10126 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100000701111_106832991635 [0,2,0,0,0,0|2,0,0]=4 10127 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100102657272_100000701111 [0,2,0,0,0,0|2,0,0]=4 10128 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100000701111_100102657272 [0,2,0,0,0,0|2,0,0]=4 10129 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100102657272_100000701111 [0,2,0,0,0,0|2,0,0]=4 10130 B10R0.55 CNC(=O)NCCOC(C)C 512a_100000701111_100102657272 [0,2,0,0,0,0|2,0,0]=4 10131 B10R0.55 CNC(=O)NCCOC(C)C 512a_106832991638_100000701111 [0,2,0,0,0,0|2,0,0]=4 10132 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,2,0,0,0,0|2,0,0]=4 10133 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 10134 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 10135 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,2,0,0,0,0|2,0,0]=4 10136 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,2,0,0,0,0|2,0,0]=4 10137 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,2,0,0,0,0|2,0,0]=4 10138 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,2,0,0,0,0|2,0,0]=4 10139 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,2,0,0,0,0|2,0,0]=4 10140 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,2,0,0,0,0|2,0,0]=4 10141 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,2,0,0,0,0|2,0,0]=4 10142 B10R0.55 COC(=O)/C=C/CNC(C)C 2230a_100138425928_100000742655 [0,2,0,0,0,0|0,0,2]=4 10143 B10R0.55 COC(=O)/C=C/CNC(C)C 34a_100138425928_100000742655 [0,2,0,0,0,0|0,0,2]=4 10144 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,2,0,0,0,0|0,0,2]=4 10145 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,2,0,0,0,0|0,0,2]=4 10146 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,2,0,0,0,0|0,0,2]=4 10147 B10R0.55 COC(=O)C=NNCC(C)O 4a_200000730056_200011823558 [0,2,0,0,0,0|1,0,1]=4 10148 B10R0.55 COC(=O)CC=NNC(C)C 4a_100000741168_200011552997 [0,2,0,0,0,0|1,0,1]=4 10149 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|0,0,0]=2 10150 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|0,0,0]=2 10151 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|0,0,0]=2 10152 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|0,0,0]=2 10153 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|0,0,0]=2 10154 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,2,0,0,0,0|0,0,1]=3 10155 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|0,0,0]=2 10156 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|0,0,0]=2 10157 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|0,0,0]=2 10158 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|0,0,0]=2 10159 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|0,0,0]=2 10160 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,2,0,0,0,0|1,0,1]=4 10161 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,2,0,0,0,0|1,0,1]=4 10162 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|0,0,0]=2 10163 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|0,0,0]=2 10164 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|0,0,0]=2 10165 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|0,0,0]=2 10166 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,2,0,0,0,0|1,0,0]=3 10167 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,2,0,0,0,0|0,0,1]=3 10168 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|0,0,0]=2 10169 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|0,0,0]=2 10170 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|0,0,0]=2 10171 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,2,0,0,0,0|1,0,0]=3 10172 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|0,0,0]=2 10173 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|0,0,0]=2 10174 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,2,0,0,0,0|1,0,1]=4 10175 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,2,0,0,0,0|1,0,1]=4 10176 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [0,2,0,0,0,0|1,0,1]=4 10177 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [0,2,0,0,0,0|1,0,1]=4 10178 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|0,0,0]=2 10179 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|0,0,0]=2 10180 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|0,0,0]=2 10181 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|0,0,0]=2 10182 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,2,0,0,0,0|1,0,0]=3 10183 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,2,0,0,0,0|1,0,0]=3 10184 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|0,0,0]=2 10185 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|0,0,0]=2 10186 B10R0.55 COC(=O)CCSC[N+](=O)[O-] 62a_100000204255_100000761209 [0,2,0,0,0,0|2,0,0]=4 10187 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,2,0,0,0,0|0,0,2]=4 10188 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|0,0,0]=2 10189 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,2,0,0,0,0|0,0,2]=4 10190 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,2,0,0,0,0|0,0,1]=3 10191 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,2,0,0,0,0|0,0,1]=3 10192 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,2,0,0,0,0|0,0,1]=3 10193 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,2,0,0,0,0|1,0,1]=4 10194 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,2,0,0,0,0|1,0,1]=4 10195 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|0,0,0]=2 10196 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|0,0,0]=2 10197 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|0,0,0]=2 10198 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,2,0,0,0,0|1,0,0]=3 10199 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,2,0,0,0,0|1,0,0]=3 10200 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|0,0,0]=2 10201 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,2,0,0,0,0|0,0,2]=4 10202 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,2,0,0,0,0|0,0,2]=4 10203 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,2,0,0,0,0|0,0,1]=3 10204 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,2,0,0,0,0|0,0,1]=3 10205 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,2,0,0,0,0|1,0,1]=4 10206 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,2,0,0,0,0|1,0,1]=4 10207 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|0,0,0]=2 10208 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|0,0,0]=2 10209 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|0,0,0]=2 10210 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|0,0,0]=2 10211 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,2,0,0,0,0|1,0,0]=3 10212 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,2,0,0,0,0|1,0,1]=4 10213 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,2,0,0,0,0|1,0,1]=4 10214 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,2,0,0,0,0|1,0,0]=3 10215 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,2,0,0,0,0|1,0,0]=3 10216 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|0,0,1]=3 10217 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|0,0,1]=3 10218 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,2,0,0,0,0|1,0,0]=3 10219 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,2,0,0,0,0|1,0,0]=3 10220 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,2,0,0,0,0|1,0,0]=3 10221 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,2,0,0,0,0|1,0,0]=3 10222 B10R0.55 COC(=O)OCSCC(F)F 62a_100011934356_100000139417 [0,2,0,0,0,0|2,0,0]=4 10223 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,2,0,0,0,0|1,0,0]=3 10224 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,2,0,0,0,0|1,0,1]=4 10225 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,2,0,0,0,0|1,0,1]=4 10226 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,2,0,0,0,0|1,0,1]=4 10227 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,2,0,0,0,0|1,0,1]=4 10228 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,2,0,0,0,0|1,0,1]=4 10229 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [0,2,0,0,0,0|1,0,1]=4 10230 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [0,2,0,0,0,0|1,0,1]=4 10231 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [0,2,0,0,0,0|1,0,1]=4 10232 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [0,2,0,0,0,0|1,0,1]=4 10233 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,2,0,0,0,0|1,0,1]=4 10234 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,2,0,0,0,0|1,0,1]=4 10235 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,2,0,0,0,0|1,0,1]=4 10236 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,2,0,0,0,0|1,0,1]=4 10237 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|1,0,1]=4 10238 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|1,0,1]=4 10239 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|1,0,1]=4 10240 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|1,0,1]=4 10241 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|1,0,1]=4 10242 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,2,0,0,0,0|1,0,1]=4 10243 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,2,0,0,0,0|1,0,1]=4 10244 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|1,0,1]=4 10245 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|1,0,0]=3 10246 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|1,0,0]=3 10247 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,2,0,0,0,0|2,0,0]=4 10248 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|2,0,0]=4 10249 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|1,0,0]=3 10250 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|1,0,0]=3 10251 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|1,0,0]=3 10252 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|1,0,0]=3 10253 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,2,0,0,0,0|1,0,1]=4 10254 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,2,0,0,0,0|1,0,1]=4 10255 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,2,0,0,0,0|1,0,1]=4 10256 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,2,0,0,0,0|1,0,1]=4 10257 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,2,0,0,0,0|1,0,1]=4 10258 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,2,0,0,0,0|1,0,1]=4 10259 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,2,0,0,0,0|1,0,1]=4 10260 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,2,0,0,0,0|1,0,1]=4 10261 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,2,0,0,0,0|1,0,1]=4 10262 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,2,0,0,0,0|1,0,1]=4 10263 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,2,0,0,0,0|1,0,1]=4 10264 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,2,0,0,0,0|1,0,1]=4 10265 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,2,0,0,0,0|0,0,1]=3 10266 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,2,0,0,0,0|1,0,1]=4 10267 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,2,0,0,0,0|1,0,1]=4 10268 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,2,0,0,0,0|1,0,1]=4 10269 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,2,0,0,0,0|1,0,1]=4 10270 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,2,0,0,0,0|1,0,1]=4 10271 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|0,0,1]=3 10272 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|0,0,1]=3 10273 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [0,2,0,0,0,0|1,0,1]=4 10274 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [0,2,0,0,0,0|1,0,1]=4 10275 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,2,0,0,0,0|1,0,1]=4 10276 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,2,0,0,0,0|1,0,1]=4 10277 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,2,0,0,0,0|0,0,1]=3 10278 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,2,0,0,0,0|0,0,1]=3 10279 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,2,0,0,0,0|1,0,1]=4 10280 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,2,0,0,0,0|1,0,1]=4 10281 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,2,0,0,0,0|1,0,1]=4 10282 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,2,0,0,0,0|0,0,1]=3 10283 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,2,0,0,0,0|1,0,1]=4 10284 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,2,0,0,0,0|1,0,1]=4 10285 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,2,0,0,0,0|0,0,1]=3 10286 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,2,0,0,0,0|1,0,1]=4 10287 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,2,0,0,0,0|1,0,1]=4 10288 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,2,0,0,0,0|0,0,1]=3 10289 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,2,0,0,0,0|0,0,1]=3 10290 B10R0.74 C#CCCSCOC(=O)OC 62a_100000688953_100000139417 [0,2,0,0,0,0|0,0,2]=4 10291 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,2,0,0,0,0|1,0,1]=4 10292 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,2,0,0,0,0|1,0,1]=4 10293 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,2,0,0,0,0|1,0,1]=4 10294 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,2,0,0,0,0|0,0,1]=3 10295 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,2,0,0,0,0|1,0,1]=4 10296 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,2,0,0,0,0|0,0,1]=3 10297 B10R0.74 C#CCOCCNC(=O)OC 34a_100000757965_100000184674 [0,2,0,0,0,0|0,0,2]=4 10298 B10R0.74 C#CCOCCOC(=O)OC 34a_100010262106_100000184674 [0,2,0,0,0,0|0,0,2]=4 10299 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,2,0,0,0,0|1,0,1]=4 10300 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,2,0,0,0,0|0,0,1]=3 10301 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,2,0,0,0,0|1,0,1]=4 10302 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|0,0,1]=3 10303 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,2,0,0,0,0|1,0,1]=4 10304 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,2,0,0,0,0|1,0,1]=4 10305 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,2,0,0,0,0|1,0,1]=4 10306 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,2,0,0,0,0|0,0,1]=3 10307 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,2,0,0,0,0|1,0,1]=4 10308 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,2,0,0,0,0|1,0,1]=4 10309 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,2,0,0,0,0|0,0,1]=3 10310 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,2,0,0,0,0|0,0,1]=3 10311 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [0,2,0,0,0,0|0,0,2]=4 10312 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|1,0,1]=4 10313 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|1,0,1]=4 10314 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|1,0,1]=4 10315 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|1,0,1]=4 10316 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|1,0,1]=4 10317 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|1,0,1]=4 10318 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|1,0,1]=4 10319 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|1,0,1]=4 10320 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|1,0,1]=4 10321 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|1,0,1]=4 10322 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|1,0,1]=4 10323 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|1,0,1]=4 10324 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|1,0,1]=4 10325 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|1,0,1]=4 10326 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|1,0,1]=4 10327 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|1,0,1]=4 10328 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|1,0,1]=4 10329 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|1,0,1]=4 10330 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|1,0,1]=4 10331 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|1,0,1]=4 10332 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|1,0,1]=4 10333 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|1,0,1]=4 10334 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|1,0,1]=4 10335 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|1,0,0]=3 10336 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|1,0,0]=3 10337 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|2,0,0]=4 10338 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|2,0,0]=4 10339 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|1,0,0]=3 10340 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 10341 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 10342 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 10343 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10344 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10345 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10346 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,2,0,0,0,0|1,0,1]=4 10347 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,2,0,0,0,0|1,0,1]=4 10348 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,2,0,0,0,0|1,0,1]=4 10349 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,2,0,0,0,0|1,0,1]=4 10350 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,2,0,0,0,0|1,0,1]=4 10351 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,2,0,0,0,0|1,0,1]=4 10352 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,2,0,0,0,0|1,0,1]=4 10353 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,2,0,0,0,0|1,0,1]=4 10354 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,2,0,0,0,0|1,0,1]=4 10355 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,2,0,0,0,0|1,0,1]=4 10356 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|0,0,1]=3 10357 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|0,0,1]=3 10358 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,2,0,0,0,0|1,0,1]=4 10359 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,2,0,0,0,0|1,0,1]=4 10360 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,2,0,0,0,0|1,0,1]=4 10361 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,2,0,0,0,0|1,0,1]=4 10362 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,2,0,0,0,0|1,0,1]=4 10363 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|0,0,1]=3 10364 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|0,0,1]=3 10365 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,2,0,0,0,0|1,0,1]=4 10366 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,2,0,0,0,0|1,0,1]=4 10367 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,2,0,0,0,0|1,0,1]=4 10368 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,2,0,0,0,0|1,0,1]=4 10369 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|0,0,1]=3 10370 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|0,0,1]=3 10371 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,2,0,0,0,0|1,0,1]=4 10372 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,2,0,0,0,0|1,0,1]=4 10373 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,2,0,0,0,0|1,0,1]=4 10374 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,2,0,0,0,0|0,0,1]=3 10375 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,2,0,0,0,0|1,0,1]=4 10376 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,2,0,0,0,0|1,0,1]=4 10377 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|0,0,1]=3 10378 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,2,0,0,0,0|1,0,1]=4 10379 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,2,0,0,0,0|1,0,1]=4 10380 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,2,0,0,0,0|0,0,1]=3 10381 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,2,0,0,0,0|0,0,1]=3 10382 B10R0.74 C=CCCSCOC(=O)OC 62a_100000754431_100000139417 [0,2,0,0,0,0|0,0,2]=4 10383 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,2,0,0,0,0|1,0,1]=4 10384 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,2,0,0,0,0|1,0,1]=4 10385 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,2,0,0,0,0|1,0,1]=4 10386 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,2,0,0,0,0|0,0,1]=3 10387 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,2,0,0,0,0|1,0,1]=4 10388 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,2,0,0,0,0|0,0,1]=3 10389 B10R0.74 C=CCOCCNC(=O)OC 34a_100000757965_100015514636 [0,2,0,0,0,0|0,0,2]=4 10390 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,2,0,0,0,0|0,0,2]=4 10391 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,2,0,0,0,0|1,0,1]=4 10392 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,2,0,0,0,0|1,0,1]=4 10393 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,2,0,0,0,0|0,0,1]=3 10394 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,2,0,0,0,0|0,0,1]=3 10395 B10R0.74 C=COCCOCC(=O)OC 34a_100000033082_100000747449 [0,2,0,0,0,0|0,0,2]=4 10396 B10R0.74 C=COCCSCC(=O)OC 62a_100000039644_100000747449 [0,2,0,0,0,0|0,0,2]=4 10397 B10R0.74 C=COCCSCC(=O)OC 62a_100000747449_100000039644 [0,2,0,0,0,0|0,0,2]=4 10398 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,2,0,0,0,0|1,0,1]=4 10399 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|0,0,1]=3 10400 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,2,0,0,0,0|1,0,1]=4 10401 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,2,0,0,0,0|1,0,1]=4 10402 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,2,0,0,0,0|1,0,1]=4 10403 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,2,0,0,0,0|1,0,1]=4 10404 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,2,0,0,0,0|0,0,1]=3 10405 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,2,0,0,0,0|0,0,1]=3 10406 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,2,0,0,0,0|1,0,1]=4 10407 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,2,0,0,0,0|1,0,1]=4 10408 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,2,0,0,0,0|0,0,1]=3 10409 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,2,0,0,0,0|1,0,1]=4 10410 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,2,0,0,0,0|1,0,1]=4 10411 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,2,0,0,0,0|0,0,1]=3 10412 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,2,0,0,0,0|0,0,1]=3 10413 B10R0.74 CC#CCSCOC(=O)OC 62a_100000748600_100000139417 [0,2,0,0,0,0|0,0,2]=4 10414 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,2,0,0,0,0|1,0,1]=4 10415 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,2,0,0,0,0|1,0,1]=4 10416 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,2,0,0,0,0|1,0,1]=4 10417 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,2,0,0,0,0|1,0,1]=4 10418 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,2,0,0,0,0|0,0,1]=3 10419 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,2,0,0,0,0|1,0,1]=4 10420 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,2,0,0,0,0|1,0,1]=4 10421 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,2,0,0,0,0|1,0,1]=4 10422 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,2,0,0,0,0|1,0,1]=4 10423 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,2,0,0,0,0|0,0,1]=3 10424 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,2,0,0,0,0|0,0,1]=3 10425 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,2,0,0,0,0|1,0,1]=4 10426 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,2,0,0,0,0|1,0,1]=4 10427 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,2,0,0,0,0|1,0,1]=4 10428 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,2,0,0,0,0|1,0,1]=4 10429 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,2,0,0,0,0|1,0,1]=4 10430 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,2,0,0,0,0|0,0,1]=3 10431 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,2,0,0,0,0|0,0,1]=3 10432 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [0,2,0,0,0,0|0,0,2]=4 10433 B10R0.74 CCC#CCNCC(=O)NC 2230a_100000693194_100009813939 [0,2,0,0,0,0|1,0,1]=4 10434 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [0,2,0,0,0,0|1,0,1]=4 10435 B10R0.74 CCC#CCOCC(=O)NC 34a_100000032950_100000183359 [0,2,0,0,0,0|1,0,1]=4 10436 B10R0.74 CCC#CCOCC(=O)NC 34a_100000750040_100009813939 [0,2,0,0,0,0|1,0,1]=4 10437 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,2,0,0,0,0|0,0,1]=3 10438 B10R0.74 CCC#CCSCC(=O)CC 62a_100000747405_100009813939 [0,2,0,0,0,0|1,0,1]=4 10439 B10R0.74 CCC#CCSCC(=O)CC 62a_100009813939_100000747405 [0,2,0,0,0,0|1,0,1]=4 10440 B10R0.74 CCC#CCSCC(=O)NC 62a_100000183359_100009813939 [0,2,0,0,0,0|1,0,1]=4 10441 B10R0.74 CCC#CCSCC(=O)NC 62a_100009813939_100000183359 [0,2,0,0,0,0|1,0,1]=4 10442 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,2,0,0,0,0|0,0,1]=3 10443 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,2,0,0,0,0|0,0,1]=3 10444 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|1,0,0]=3 10445 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|1,0,0]=3 10446 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|1,0,0]=3 10447 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|1,0,0]=3 10448 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|1,0,0]=3 10449 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,2,0,0,0,0|2,0,0]=4 10450 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|1,0,0]=3 10451 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|1,0,0]=3 10452 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|1,0,0]=3 10453 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|1,0,0]=3 10454 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|1,0,0]=3 10455 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|1,0,0]=3 10456 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|1,0,0]=3 10457 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|1,0,0]=3 10458 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [0,2,0,0,0,0|1,0,1]=4 10459 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [0,2,0,0,0,0|1,0,1]=4 10460 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,2,0,0,0,0|1,0,1]=4 10461 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,2,0,0,0,0|1,0,1]=4 10462 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|1,0,0]=3 10463 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|1,0,0]=3 10464 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|1,0,0]=3 10465 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|1,0,0]=3 10466 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|1,0,0]=3 10467 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|1,0,0]=3 10468 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 10469 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 10470 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 10471 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,2,0,0,0,0|1,0,1]=4 10472 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|1,0,0]=3 10473 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,2,0,0,0,0|2,0,0]=4 10474 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,2,0,0,0,0|2,0,0]=4 10475 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,2,0,0,0,0|2,0,0]=4 10476 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,2,0,0,0,0|2,0,0]=4 10477 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,2,0,0,0,0|2,0,0]=4 10478 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,2,0,0,0,0|2,0,0]=4 10479 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,2,0,0,0,0|2,0,0]=4 10480 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,2,0,0,0,0|2,0,0]=4 10481 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,2,0,0,0,0|2,0,0]=4 10482 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,2,0,0,0,0|2,0,0]=4 10483 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,2,0,0,0,0|2,0,0]=4 10484 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,2,0,0,0,0|2,0,0]=4 10485 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,2,0,0,0,0|2,0,0]=4 10486 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,2,0,0,0,0|2,0,0]=4 10487 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|1,0,0]=3 10488 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|2,0,0]=4 10489 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|1,0,0]=3 10490 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 10491 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 10492 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|1,0,0]=3 10493 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,2,0,0,0,0|1,0,1]=4 10494 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|1,0,0]=3 10495 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|2,0,0]=4 10496 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|1,0,0]=3 10497 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|1,0,0]=3 10498 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|2,0,0]=4 10499 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|1,0,0]=3 10500 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|1,0,0]=3 10501 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|1,0,0]=3 10502 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|1,0,0]=3 10503 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|1,0,0]=3 10504 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|2,0,0]=4 10505 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|2,0,0]=4 10506 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|1,0,0]=3 10507 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 10508 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 10509 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 10510 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|1,0,1]=4 10511 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|1,0,1]=4 10512 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|1,0,1]=4 10513 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|1,0,1]=4 10514 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|1,0,1]=4 10515 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10516 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10517 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10518 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 10519 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|2,0,0]=4 10520 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|2,0,0]=4 10521 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|1,0,0]=3 10522 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 10523 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 10524 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 10525 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 10526 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|1,0,0]=3 10527 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|1,0,1]=4 10528 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|1,0,1]=4 10529 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|1,0,0]=3 10530 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|1,0,0]=3 10531 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|0,0,0]=2 10532 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|1,0,1]=4 10533 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|1,0,0]=3 10534 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|2,0,0]=4 10535 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|1,0,0]=3 10536 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|1,0,0]=3 10537 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|1,0,0]=3 10538 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|1,0,0]=3 10539 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|1,0,0]=3 10540 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 10541 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|1,0,0]=3 10542 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 10543 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|0,0,0]=2 10544 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|0,0,0]=2 10545 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|1,0,1]=4 10546 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|1,0,0]=3 10547 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|1,0,0]=3 10548 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|1,0,0]=3 10549 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|1,0,0]=3 10550 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|0,0,0]=2 10551 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|0,0,0]=2 10552 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|1,0,0]=3 10553 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|1,0,0]=3 10554 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|1,0,0]=3 10555 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|1,0,0]=3 10556 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|0,0,0]=2 10557 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|0,0,0]=2 10558 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,2,0,0,0,0|0,0,1]=3 10559 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|1,0,0]=3 10560 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|2,0,0]=4 10561 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|1,0,0]=3 10562 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|1,0,0]=3 10563 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|1,0,0]=3 10564 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|0,0,0]=2 10565 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|0,0,0]=2 10566 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|1,0,1]=4 10567 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,2,0,0,0,0|1,0,1]=4 10568 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,2,0,0,0,0|1,0,1]=4 10569 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|1,0,0]=3 10570 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|1,0,0]=3 10571 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|0,0,0]=2 10572 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|0,0,0]=2 10573 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|0,0,0]=2 10574 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 10575 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 10576 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|1,0,0]=3 10577 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|1,0,0]=3 10578 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,2,0,0,0,0|0,0,1]=3 10579 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|0,0,1]=3 10580 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|1,0,0]=3 10581 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|2,0,0]=4 10582 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|0,0,0]=2 10583 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|1,0,0]=3 10584 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|1,0,0]=3 10585 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|1,0,0]=3 10586 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|1,0,0]=3 10587 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|1,0,0]=3 10588 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 10589 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|2,0,0]=4 10590 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|1,0,0]=3 10591 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|1,0,0]=3 10592 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|1,0,0]=3 10593 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|1,0,0]=3 10594 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|1,0,0]=3 10595 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|1,0,0]=3 10596 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|0,0,0]=2 10597 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|1,0,0]=3 10598 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|1,0,0]=3 10599 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|0,0,0]=2 10600 B10R0.74 CCCOCCSC(C)OC 62a_100009879195_100011215938 [0,2,0,0,0,0|1,0,1]=4 10601 B10R0.74 CCCOCCSC(C)OC 62a_100011215938_100009879195 [0,2,0,0,0,0|1,0,1]=4 10602 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|0,0,1]=3 10603 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|0,0,1]=3 10604 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|1,0,0]=3 10605 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|1,0,0]=3 10606 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|0,0,0]=2 10607 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|0,0,0]=2 10608 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|1,0,0]=3 10609 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|1,0,0]=3 10610 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|1,0,0]=3 10611 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 10612 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|2,0,0]=4 10613 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|1,0,0]=3 10614 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|1,0,0]=3 10615 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|1,0,0]=3 10616 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|1,0,0]=3 10617 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|1,0,0]=3 10618 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|1,0,0]=3 10619 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|1,0,0]=3 10620 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|1,0,0]=3 10621 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|0,0,0]=2 10622 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|0,0,0]=2 10623 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,2,0,0,0,0|0,0,1]=3 10624 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|0,0,0]=2 10625 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|0,0,0]=2 10626 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|0,0,0]=2 10627 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 10628 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 10629 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 10630 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|1,0,0]=3 10631 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 10632 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|2,0,0]=4 10633 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|1,0,0]=3 10634 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|1,0,0]=3 10635 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|1,0,0]=3 10636 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|1,0,0]=3 10637 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|1,0,0]=3 10638 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|1,0,0]=3 10639 B10R0.74 CCOCCCSC(C)OC 62a_100009879195_100012232248 [0,2,0,0,0,0|1,0,1]=4 10640 B10R0.74 CCOCCCSC(C)OC 62a_100012232248_100009879195 [0,2,0,0,0,0|1,0,1]=4 10641 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|1,0,0]=3 10642 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|1,0,0]=3 10643 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|1,0,0]=3 10644 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|0,0,0]=2 10645 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|0,0,0]=2 10646 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,2,0,0,0,0|1,0,1]=4 10647 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,2,0,0,0,0|2,0,0]=4 10648 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,2,0,0,0,0|2,0,0]=4 10649 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,2,0,0,0,0|2,0,0]=4 10650 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,2,0,0,0,0|2,0,0]=4 10651 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|1,0,0]=3 10652 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|1,0,0]=3 10653 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|1,0,0]=3 10654 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|1,0,0]=3 10655 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|1,0,0]=3 10656 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|0,0,0]=2 10657 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|0,0,0]=2 10658 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|0,0,0]=2 10659 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,2,0,0,0,0|1,0,1]=4 10660 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|1,0,0]=3 10661 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|1,0,0]=3 10662 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|1,0,0]=3 10663 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|1,0,0]=3 10664 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|0,0,0]=2 10665 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|0,0,0]=2 10666 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,2,0,0,0,0|1,0,0]=3 10667 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,2,0,0,0,0|1,0,0]=3 10668 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|0,0,0]=2 10669 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|0,0,0]=2 10670 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|1,0,0]=3 10671 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|0,0,0]=2 10672 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|0,0,0]=2 10673 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|1,0,0]=3 10674 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|1,0,0]=3 10675 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|0,0,0]=2 10676 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,2,0,0,0,0|1,0,1]=4 10677 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|1,0,0]=3 10678 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|1,0,0]=3 10679 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 10680 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|1,0,0]=3 10681 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|1,0,0]=3 10682 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|0,0,0]=2 10683 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|0,0,0]=2 10684 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|0,0,0]=2 10685 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|0,0,0]=2 10686 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,2,0,0,0,0|1,0,1]=4 10687 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|1,0,0]=3 10688 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|1,0,0]=3 10689 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|1,0,0]=3 10690 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|1,0,0]=3 10691 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|0,0,0]=2 10692 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|0,0,0]=2 10693 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|1,0,0]=3 10694 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,0,0]=3 10695 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 10696 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 10697 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 10698 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,2,0,0,0,0|2,0,0]=4 10699 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,2,0,0,0,0|2,0,0]=4 10700 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,2,0,0,0,0|2,0,0]=4 10701 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,2,0,0,0,0|1,0,1]=4 10702 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,2,0,0,0,0|1,0,1]=4 10703 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,2,0,0,0,0|1,0,1]=4 10704 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|1,0,0]=3 10705 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|1,0,0]=3 10706 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|1,0,0]=3 10707 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|1,0,0]=3 10708 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|1,0,0]=3 10709 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|1,0,0]=3 10710 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|1,0,0]=3 10711 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|1,0,0]=3 10712 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 10713 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|1,0,0]=3 10714 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|1,0,0]=3 10715 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|1,0,0]=3 10716 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,2,0,0,0,0|1,0,1]=4 10717 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,2,0,0,0,0|1,0,1]=4 10718 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,2,0,0,0,0|1,0,1]=4 10719 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,2,0,0,0,0|1,0,1]=4 10720 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|1,0,0]=3 10721 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|1,0,0]=3 10722 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|1,0,0]=3 10723 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|1,0,0]=3 10724 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|1,0,0]=3 10725 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|1,0,0]=3 10726 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|1,0,0]=3 10727 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|1,0,0]=3 10728 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,2,0,0,0,0|1,0,1]=4 10729 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|1,0,0]=3 10730 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|1,0,0]=3 10731 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|1,0,0]=3 10732 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|1,0,0]=3 10733 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|1,0,0]=3 10734 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|1,0,0]=3 10735 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|1,0,0]=3 10736 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|1,0,0]=3 10737 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|1,0,0]=3 10738 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|1,0,0]=3 10739 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|1,0,0]=3 10740 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|1,0,0]=3 10741 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|1,0,0]=3 10742 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|1,0,0]=3 10743 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|1,0,0]=3 10744 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|1,0,0]=3 10745 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|1,0,0]=3 10746 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|1,0,0]=3 10747 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|1,0,0]=3 10748 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 10749 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 10750 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|1,0,0]=3 10751 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|1,0,0]=3 10752 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|1,0,0]=3 10753 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,2,0,0,0,0|2,0,0]=4 10754 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|1,0,0]=3 10755 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|1,0,0]=3 10756 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|1,0,0]=3 10757 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,2,0,0,0,0|1,0,1]=4 10758 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,2,0,0,0,0|1,0,1]=4 10759 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|1,0,0]=3 10760 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|1,0,0]=3 10761 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|1,0,0]=3 10762 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|1,0,0]=3 10763 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|1,0,0]=3 10764 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|1,0,0]=3 10765 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|1,0,0]=3 10766 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|1,0,0]=3 10767 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,2,0,0,0,0|1,0,1]=4 10768 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,2,0,0,0,0|1,0,1]=4 10769 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|1,0,0]=3 10770 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|1,0,0]=3 10771 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 10772 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 10773 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|1,0,0]=3 10774 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|1,0,0]=3 10775 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|1,0,0]=3 10776 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|1,0,0]=3 10777 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 10778 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 10779 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|1,0,0]=3 10780 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|1,0,0]=3 10781 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|1,0,0]=3 10782 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|1,0,0]=3 10783 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,0]=3 10784 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|1,0,0]=3 10785 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,0,0]=3 10786 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,0,0]=3 10787 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 10788 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|1,0,0]=3 10789 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,2,0,0,0,0|1,0,1]=4 10790 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,2,0,0,0,0|1,0,1]=4 10791 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,2,0,0,0,0|1,0,1]=4 10792 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,2,0,0,0,0|1,0,1]=4 10793 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|1,0,0]=3 10794 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|1,0,0]=3 10795 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|1,0,0]=3 10796 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|1,0,0]=3 10797 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|1,0,0]=3 10798 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|1,0,0]=3 10799 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,2,0,0,0,0|1,0,1]=4 10800 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,2,0,0,0,0|1,0,1]=4 10801 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,2,0,0,0,0|1,0,1]=4 10802 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,2,0,0,0,0|1,0,1]=4 10803 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,2,0,0,0,0|1,0,1]=4 10804 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,2,0,0,0,0|1,0,1]=4 10805 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|1,0,0]=3 10806 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|1,0,0]=3 10807 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|1,0,0]=3 10808 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|1,0,0]=3 10809 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|1,0,0]=3 10810 B10R0.74 CNC(=O)NCCNCCF 34a_100015205895_100011217306 [0,2,0,0,0,0|2,0,0]=4 10811 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,2,0,0,0,0|2,0,0]=4 10812 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,2,0,0,0,0|2,0,0]=4 10813 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,2,0,0,0,0|2,0,0]=4 10814 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,2,0,0,0,0|2,0,0]=4 10815 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,2,0,0,0,0|2,0,0]=4 10816 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,2,0,0,0,0|2,0,0]=4 10817 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 10818 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 10819 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,2,0,0,0,0|2,0,0]=4 10820 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,2,0,0,0,0|2,0,0]=4 10821 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,2,0,0,0,0|2,0,0]=4 10822 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,2,0,0,0,0|2,0,0]=4 10823 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,2,0,0,0,0|2,0,0]=4 10824 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,2,0,0,0,0|2,0,0]=4 10825 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,2,0,0,0,0|2,0,0]=4 10826 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 10827 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,2,0,0,0,0|2,0,0]=4 10828 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,2,0,0,0,0|2,0,0]=4 10829 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,2,0,0,0,0|2,0,0]=4 10830 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,2,0,0,0,0|2,0,0]=4 10831 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,2,0,0,0,0|2,0,0]=4 10832 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,2,0,0,0,0|2,0,0]=4 10833 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,2,0,0,0,0|2,0,0]=4 10834 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,2,0,0,0,0|2,0,0]=4 10835 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,2,0,0,0,0|2,0,0]=4 10836 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 10837 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|0,0,0]=2 10838 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 10839 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|1,0,0]=3 10840 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|0,0,0]=2 10841 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [0,2,0,0,0,0|0,0,2]=4 10842 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [0,2,0,0,0,0|0,0,2]=4 10843 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [0,2,0,0,0,0|0,0,2]=4 10844 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [0,2,0,0,0,0|0,0,2]=4 10845 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [0,2,0,0,0,0|0,0,2]=4 10846 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [0,2,0,0,0,0|0,0,2]=4 10847 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [0,2,0,0,0,0|0,0,2]=4 10848 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,2,0,0,0,0|0,0,2]=4 10849 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,2,0,0,0,0|0,0,2]=4 10850 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,2,0,0,0,0|0,0,2]=4 10851 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,2,0,0,0,0|0,0,2]=4 10852 B10R0.74 COC(=O)CC=NNCCO 4a_100000210001_200011552997 [0,2,0,0,0,0|1,0,1]=4 10853 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|0,0,0]=2 10854 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|0,0,0]=2 10855 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|0,0,0]=2 10856 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|0,0,0]=2 10857 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|0,0,0]=2 10858 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|0,0,0]=2 10859 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|0,0,0]=2 10860 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|0,0,0]=2 10861 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|0,0,0]=2 10862 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|0,0,0]=2 10863 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|0,0,0]=2 10864 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|0,0,0]=2 10865 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|0,0,0]=2 10866 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|0,0,0]=2 10867 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|0,0,0]=2 10868 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,2,0,0,0,0|0,0,1]=3 10869 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,2,0,0,0,0|0,0,1]=3 10870 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|0,0,1]=3 10871 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|0,0,1]=3 10872 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|0,0,0]=2 10873 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|0,0,0]=2 10874 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|0,0,0]=2 10875 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|0,0,0]=2 10876 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|0,0,0]=2 10877 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|0,0,0]=2 10878 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|0,0,0]=2 10879 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|0,0,0]=2 10880 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|0,0,0]=2 10881 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|0,0,0]=2 10882 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|0,0,0]=2 10883 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|0,0,0]=2 10884 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|0,0,0]=2 10885 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,2,0,0,0,0|1,0,0]=3 10886 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|0,0,0]=2 10887 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|0,0,0]=2 10888 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,2,0,0,0,0|0,0,1]=3 10889 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,2,0,0,0,0|0,0,1]=3 10890 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|0,0,0]=2 10891 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|0,0,0]=2 10892 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|0,0,0]=2 10893 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|0,0,0]=2 10894 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|0,0,0]=2 10895 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|0,0,0]=2 10896 B10R0.74 COC(=O)CCSCSC#N 62a_100000204255_100000211825 [0,2,0,0,0,0|1,0,1]=4 10897 B10R0.74 COC(=O)CCSCSC#N 62a_100000211825_100000204255 [0,2,0,0,0,0|1,0,1]=4 10898 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|0,0,0]=2 10899 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|0,0,0]=2 10900 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|0,0,0]=2 10901 B10R0.74 COC(=O)COCC#CCCl 34a_200000047223_100000747449 [0,2,0,0,0,0|0,0,2]=4 10902 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|0,0,0]=2 10903 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|0,0,0]=2 10904 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|0,0,0]=2 10905 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|0,0,0]=2 10906 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|0,0,0]=2 10907 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|0,0,0]=2 10908 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|0,0,0]=2 10909 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|0,0,0]=2 10910 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|0,0,0]=2 10911 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|1,0,0]=3 10912 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|1,0,0]=3 10913 B10R0.74 COC(=O)CSCC#CCO 62a_100000747449_200000047223 [0,2,0,0,0,0|0,0,2]=4 10914 B10R0.74 COC(=O)CSCC#CCO 62a_200000047223_100000747449 [0,2,0,0,0,0|0,0,2]=4 10915 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,2,0,0,0,0|0,0,1]=3 10916 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,2,0,0,0,0|0,0,1]=3 10917 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|0,0,1]=3 10918 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|0,0,1]=3 10919 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|0,0,0]=2 10920 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|0,0,0]=2 10921 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|0,0,0]=2 10922 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|0,0,0]=2 10923 B10R0.74 COC(=O)CSCCSC#N 62a_100000034367_100000747449 [0,2,0,0,0,0|1,0,1]=4 10924 B10R0.74 COC(=O)CSCCSC#N 62a_100000747449_100000034367 [0,2,0,0,0,0|1,0,1]=4 10925 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [0,2,0,0,0,0|1,0,1]=4 10926 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,2,0,0,0,0|1,0,0]=3 10927 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,2,0,0,0,0|1,0,0]=3 10928 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,2,0,0,0,0|1,0,0]=3 10929 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,2,0,0,0,0|1,0,1]=4 10930 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|1,0,0]=3 10931 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|1,0,0]=3 10932 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|1,0,0]=3 10933 B10R0.74 COC(=O)OCSCCC#N 62a_100011215226_100000139417 [0,2,0,0,0,0|1,0,1]=4 10934 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|1,0,0]=3 10935 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|1,0,0]=3 10936 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|1,0,0]=3 10937 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,2,0,0,0,0|1,0,1]=4 10938 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,2,0,0,0,0|1,0,1]=4 10939 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,2,0,0,0,0|1,0,1]=4 10940 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,2,0,0,0,0|1,0,1]=4 10941 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,2,0,0,0,0|1,0,1]=4 10942 B10R0.74 COC(C)SCCCCCF 62a_100000729378_100009879195 [0,2,0,0,0,0|1,0,1]=4 10943 B10R0.74 COC(C)SCCCCCF 62a_100009879195_100000729378 [0,2,0,0,0,0|1,0,1]=4 10944 B10R0.74 COC(C)SCCCCCO 62a_100000746330_100009879195 [0,2,0,0,0,0|1,0,1]=4 10945 B10R0.74 COC(C)SCCCCCO 62a_100009879195_100000746330 [0,2,0,0,0,0|1,0,1]=4 10946 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|2,0,0]=4 10947 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|0,0,0]=2 10948 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|0,0,0]=2 10949 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|0,0,0]=2 10950 B10R0.74 COCCCCSC(C)OC 62a_100000730899_100009879195 [0,2,0,0,0,0|1,0,1]=4 10951 B10R0.74 COCCCCSC(C)OC 62a_100009879195_100000730899 [0,2,0,0,0,0|1,0,1]=4 10952 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|0,0,0]=2 10953 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,2,0,0,0,0|1,0,1]=4 10954 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|0,0,0]=2 10955 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,2,0,0,0,0|1,0,1]=4 10956 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|0,0,0]=2 10957 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|0,0,0]=2 10958 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|0,0,0]=2 10959 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|2,0,0]=4 10960 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|2,0,0]=4 10961 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|0,0,0]=2 10962 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,2,0,0,0,0|1,0,1]=4 10963 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|0,0,0]=2 10964 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|0,0,0]=2 10965 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|1,0,0]=3 10966 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [0,2,0,0,0,0|0,0,2]=4 10967 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [0,2,0,0,0,0|0,0,2]=4 10968 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|0,0,0]=2 10969 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|0,0,0]=2 10970 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,2,0,0,0,0|1,0,1]=4 10971 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,2,0,0,0,0|1,0,1]=4 10972 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 10973 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|2,0,0]=4 10974 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,2,0,0,0,0|2,0,0]=4 10975 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,2,0,0,0,0|2,0,0]=4 10976 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|2,0,0]=4 10977 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|2,0,0]=4 10978 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|2,0,0]=4 10979 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|2,0,0]=4 10980 B10R0.75 C#CCCCCC(=O)C(=C)C 1458a_100000185857_100010269958 [0,2,0,0,0,0|1,0,1]=4 10981 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [0,2,0,0,0,0|1,0,1]=4 10982 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [0,2,0,0,0,0|1,0,1]=4 10983 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [0,2,0,0,0,0|1,0,1]=4 10984 B10R0.75 C#CCCCCC(=O)N(C)C 11a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 10985 B10R0.75 C#CCCCCC(=O)N(C)C 1626a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 10986 B10R0.75 C#CCCCCC(=O)N(C)C 240690a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 10987 B10R0.75 C#CCCCCC(=O)N(C)C 527a_100102631434_100000696528 [0,2,0,0,0,0|1,0,1]=4 10988 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|1,0,1]=4 10989 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|1,0,1]=4 10990 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,2,0,0,0,0|1,0,1]=4 10991 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,2,0,0,0,0|1,0,1]=4 10992 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,2,0,0,0,0|1,0,1]=4 10993 B10R0.75 C=C(C)C(=O)CCCCC#N 1458a_100000185857_100000211819 [0,2,0,0,0,0|1,0,1]=4 10994 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|1,0,0]=3 10995 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|1,0,0]=3 10996 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|1,0,0]=3 10997 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|1,0,0]=3 10998 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|1,0,0]=3 10999 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|1,0,0]=3 11000 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [0,2,0,0,0,0|2,0,0]=4 11001 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|1,0,0]=3 11002 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|1,0,0]=3 11003 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|1,0,0]=3 11004 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|2,0,0]=4 11005 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|2,0,0]=4 11006 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|2,0,0]=4 11007 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 11008 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|2,0,0]=4 11009 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,2,0,0,0,0|2,0,0]=4 11010 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|2,0,0]=4 11011 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|2,0,0]=4 11012 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 11013 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|2,0,0]=4 11014 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,2,0,0,0,0|2,0,0]=4 11015 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|2,0,0]=4 11016 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|2,0,0]=4 11017 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|2,0,0]=4 11018 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|2,0,0]=4 11019 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|2,0,0]=4 11020 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|2,0,0]=4 11021 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,2,0,0,0,0|1,0,1]=4 11022 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,2,0,0,0,0|1,0,1]=4 11023 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,2,0,0,0,0|1,0,1]=4 11024 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,2,0,0,0,0|1,0,1]=4 11025 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,2,0,0,0,0|1,0,1]=4 11026 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,2,0,0,0,0|1,0,1]=4 11027 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,2,0,0,0,0|1,0,1]=4 11028 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,2,0,0,0,0|1,0,1]=4 11029 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 11030 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 11031 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 11032 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,2,0,0,0,0|1,0,1]=4 11033 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|1,0,1]=4 11034 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|1,0,1]=4 11035 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|2,0,0]=4 11036 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|2,0,0]=4 11037 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|2,0,0]=4 11038 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|2,0,0]=4 11039 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|2,0,0]=4 11040 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|2,0,0]=4 11041 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|2,0,0]=4 11042 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|2,0,0]=4 11043 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|2,0,0]=4 11044 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [0,2,0,0,0,0|1,0,1]=4 11045 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|1,0,0]=3 11046 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|1,0,0]=3 11047 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|1,0,0]=3 11048 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,2,0,0,0,0|2,0,0]=4 11049 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,2,0,0,0,0|2,0,0]=4 11050 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,2,0,0,0,0|2,0,0]=4 11051 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,2,0,0,0,0|2,0,0]=4 11052 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [0,2,0,0,0,0|2,0,0]=4 11053 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [0,2,0,0,0,0|2,0,0]=4 11054 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [0,2,0,0,0,0|2,0,0]=4 11055 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,2,0,0,0,0|2,0,0]=4 11056 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [0,2,0,0,0,0|2,0,0]=4 11057 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [0,2,0,0,0,0|2,0,0]=4 11058 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,2,0,0,0,0|2,0,0]=4 11059 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,2,0,0,0,0|2,0,0]=4 11060 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,2,0,0,0,0|2,0,0]=4 11061 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,2,0,0,0,0|2,0,0]=4 11062 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [0,2,0,0,0,0|1,0,1]=4 11063 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|1,0,0]=3 11064 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|1,0,0]=3 11065 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,2,0,0,0,0|2,0,0]=4 11066 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,2,0,0,0,0|2,0,0]=4 11067 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,2,0,0,0,0|2,0,0]=4 11068 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,2,0,0,0,0|1,0,1]=4 11069 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,2,0,0,0,0|1,0,1]=4 11070 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|1,0,1]=4 11071 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|1,0,1]=4 11072 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,2,0,0,0,0|1,0,1]=4 11073 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 11074 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 11075 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 11076 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,2,0,0,0,0|1,0,1]=4 11077 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|1,0,1]=4 11078 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,2,0,0,0,0|1,0,1]=4 11079 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,2,0,0,0,0|1,0,1]=4 11080 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,2,0,0,0,0|1,0,1]=4 11081 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|1,0,0]=3 11082 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|1,0,0]=3 11083 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|1,0,0]=3 11084 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|2,0,0]=4 11085 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 11086 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 11087 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 11088 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 11089 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|1,0,0]=3 11090 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|1,0,0]=3 11091 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|2,0,0]=4 11092 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 11093 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 11094 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 11095 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|1,0,0]=3 11096 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 11097 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 11098 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 11099 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|1,0,0]=3 11100 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 11101 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 11102 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 11103 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 11104 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|2,0,0]=4 11105 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|1,0,0]=3 11106 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,0]=3 11107 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 11108 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 11109 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|1,0,0]=3 11110 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|1,0,0]=3 11111 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|1,0,0]=3 11112 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|1,0,0]=3 11113 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|1,0,0]=3 11114 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,2,0,0,0,0|2,0,0]=4 11115 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,2,0,0,0,0|2,0,0]=4 11116 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|2,0,0]=4 11117 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|2,0,0]=4 11118 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|1,0,0]=3 11119 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|1,0,0]=3 11120 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|1,0,0]=3 11121 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|1,0,0]=3 11122 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|1,0,0]=3 11123 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|1,0,0]=3 11124 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|2,0,0]=4 11125 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 11126 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 11127 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 11128 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 11129 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|1,0,0]=3 11130 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|1,0,0]=3 11131 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|1,0,0]=3 11132 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|1,0,0]=3 11133 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|1,0,0]=3 11134 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|1,0,0]=3 11135 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|1,0,0]=3 11136 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|1,0,0]=3 11137 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|1,0,0]=3 11138 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 11139 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 11140 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 11141 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|1,0,0]=3 11142 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|1,0,0]=3 11143 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|1,0,0]=3 11144 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|1,0,0]=3 11145 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|1,0,0]=3 11146 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|1,0,0]=3 11147 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|2,0,0]=4 11148 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|1,0,0]=3 11149 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|1,0,0]=3 11150 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|1,0,0]=3 11151 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|1,0,0]=3 11152 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|1,0,0]=3 11153 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,2,0,0,0,0|2,0,0]=4 11154 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,2,0,0,0,0|2,0,0]=4 11155 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|1,0,0]=3 11156 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|1,0,0]=3 11157 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,2,0,0,0,0|2,0,0]=4 11158 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,2,0,0,0,0|2,0,0]=4 11159 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|1,0,0]=3 11160 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|1,0,0]=3 11161 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|2,0,0]=4 11162 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,0,0]=3 11163 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,0,0]=3 11164 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,2,0,0,0,0|2,0,0]=4 11165 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,2,0,0,0,0|2,0,0]=4 11166 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,2,0,0,0,0|2,0,0]=4 11167 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,2,0,0,0,0|2,0,0]=4 11168 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,2,0,0,0,0|2,0,0]=4 11169 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,2,0,0,0,0|2,0,0]=4 11170 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,2,0,0,0,0|2,0,0]=4 11171 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,2,0,0,0,0|2,0,0]=4 11172 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,2,0,0,0,0|2,0,0]=4 11173 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|2,0,0]=4 11174 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|2,0,0]=4 11175 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|2,0,0]=4 11176 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|2,0,0]=4 11177 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|2,0,0]=4 11178 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [0,2,0,0,0,0|2,0,0]=4 11179 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [0,2,0,0,0,0|2,0,0]=4 11180 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000692301_100000739092 [0,2,0,0,0,0|2,0,0]=4 11181 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000739092_100000692301 [0,2,0,0,0,0|2,0,0]=4 11182 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|1,0,0]=3 11183 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|1,0,0]=3 11184 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 11185 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 11186 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 11187 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,2,0,0,0,0|2,0,0]=4 11188 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 11189 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 11190 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 11191 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,2,0,0,0,0|2,0,0]=4 11192 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,2,0,0,0,0|2,0,0]=4 11193 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|2,0,0]=4 11194 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 11195 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 11196 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|1,0,0]=3 11197 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|1,0,0]=3 11198 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|1,0,0]=3 11199 B10R0.75 CN(C)C(=O)CCCSCF 62a_100000737642_100015361967 [0,2,0,0,0,0|2,0,0]=4 11200 B10R0.75 CN(C)C(=O)CCCSCF 62a_100015361967_100000737642 [0,2,0,0,0,0|2,0,0]=4 11201 B10R0.75 CN(C)C(=O)CCNCCF 2230a_100000738053_100011217306 [0,2,0,0,0,0|2,0,0]=4 11202 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [0,2,0,0,0,0|2,0,0]=4 11203 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [0,2,0,0,0,0|2,0,0]=4 11204 B10R0.75 CN(C)C(=O)CCOCCF 34a_200000747469_100011217306 [0,2,0,0,0,0|2,0,0]=4 11205 B10R0.75 CN(C)C(=O)CCOCCO 1626a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 11206 B10R0.75 CN(C)C(=O)CCOCCO 240690a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 11207 B10R0.75 CN(C)C(=O)CCOCCO 34a_200000747469_100000211926 [0,2,0,0,0,0|2,0,0]=4 11208 B10R0.75 CN(C)C(=O)CCSCCF 62a_100000737620_100011217306 [0,2,0,0,0,0|2,0,0]=4 11209 B10R0.75 CN(C)C(=O)CCSCCF 62a_100011217306_100000737620 [0,2,0,0,0,0|2,0,0]=4 11210 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000211926_100000737620 [0,2,0,0,0,0|2,0,0]=4 11211 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000737620_100000211926 [0,2,0,0,0,0|2,0,0]=4 11212 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015183351_100011934791 [0,2,0,0,0,0|2,0,0]=4 11213 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015189416_100000185267 [0,2,0,0,0,0|2,0,0]=4 11214 B10R0.75 CN(C)C(=O)CNCCCF 34a_100015189416_100000692301 [0,2,0,0,0,0|2,0,0]=4 11215 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [0,2,0,0,0,0|2,0,0]=4 11216 B10R0.75 CN(C)C(=O)COCCCBr 34a_100011217188_100000692301 [0,2,0,0,0,0|2,0,0]=4 11217 B10R0.75 CN(C)C(=O)COCCCCl 34a_100000230001_100000692301 [0,2,0,0,0,0|2,0,0]=4 11218 B10R0.75 CN(C)C(=O)COCCCF 34a_100000759539_100000692301 [0,2,0,0,0,0|2,0,0]=4 11219 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,2,0,0,0,0|2,0,0]=4 11220 B10R0.75 CN(C)C(=O)CSCCCF 62a_100000692301_100011934791 [0,2,0,0,0,0|2,0,0]=4 11221 B10R0.75 CN(C)C(=O)CSCCCF 62a_100011934791_100000692301 [0,2,0,0,0,0|2,0,0]=4 11222 B10R0.75 CN(C)C(=O)CSCCCO 62a_100000692301_100011215043 [0,2,0,0,0,0|2,0,0]=4 11223 B10R0.75 CN(C)C(=O)CSCCCO 62a_100011215043_100000692301 [0,2,0,0,0,0|2,0,0]=4 11224 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,2,0,0,0,0|2,0,0]=4 11225 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|1,0,0]=3 11226 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|1,0,0]=3 11227 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|1,0,0]=3 11228 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|1,0,0]=3 11229 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|2,0,0]=4 11230 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|1,0,0]=3 11231 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,0,0]=3 11232 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,0,0]=3 11233 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|2,0,0]=4 11234 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|2,0,0]=4 11235 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|2,0,0]=4 11236 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|2,0,0]=4 11237 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|2,0,0]=4 11238 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|2,0,0]=4 11239 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|2,0,0]=4 11240 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|2,0,0]=4 11241 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 11242 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 11243 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,2,0,0,0,0|2,0,0]=4 11244 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,2,0,0,0,0|2,0,0]=4 11245 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,2,0,0,0,0|2,0,0]=4 11246 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|2,0,0]=4 11247 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|2,0,0]=4 11248 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|2,0,0]=4 11249 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 11250 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 11251 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 11252 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,2,0,0,0,0|2,0,0]=4 11253 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 11254 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|2,0,0]=4 11255 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|2,0,0]=4 11256 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,2,0,0,0,0|2,0,0]=4 11257 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,2,0,0,0,0|2,0,0]=4 11258 B10R0.75 COCCSCC(=O)N(C)C 62a_100000233755_100000692301 [0,2,0,0,0,0|2,0,0]=4 11259 B10R0.75 COCCSCC(=O)N(C)C 62a_100000692301_100000233755 [0,2,0,0,0,0|2,0,0]=4 11260 B10R0.75 COCNCCC(=O)N(C)C 2230a_100000738053_100000766300 [0,2,0,0,0,0|2,0,0]=4 11261 B10R0.75 COCSCCC(=O)N(C)C 62a_100000737620_100000766300 [0,2,0,0,0,0|2,0,0]=4 11262 B10R0.75 COCSCCC(=O)N(C)C 62a_100000766300_100000737620 [0,2,0,0,0,0|2,0,0]=4 11263 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|1,0,0]=3 11264 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|1,0,0]=3 11265 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 11266 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 11267 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 11268 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|2,0,0]=4 11269 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 11270 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 11271 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 11272 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|2,0,0]=4 11273 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,2,0,0,0,0|2,0,0]=4 11274 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|2,0,0]=4 11275 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 11276 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 11277 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|2,0,0]=4 11278 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,2,0,0,0,0|2,0,0]=4 11279 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,2,0,0,0,0|2,0,0]=4 11280 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|2,0,0]=4 11281 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,2,0,0,0,0|2,0,0]=4 11282 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,2,0,0,0,0|2,0,0]=4 11283 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 11284 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 11285 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|2,0,0]=4 11286 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|2,0,0]=4 11287 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,2,0,0,0,0|2,0,0]=4 11288 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,2,0,0,0,0|2,0,0]=4 11289 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,2,0,0,0,0|2,0,0]=4 11290 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,2,0,0,0,0|2,0,0]=4 11291 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,2,0,0,0,0|2,0,0]=4 11292 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,2,0,0,0,0|2,0,0]=4 11293 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,2,0,0,0,0|2,0,0]=4 11294 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,2,0,0,0,0|2,0,0]=4 11295 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|1,0,1]=4 11296 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|1,0,0]=3 11297 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|1,0,0]=3 11298 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|2,0,0]=4 11299 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|2,0,0]=4 11300 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|1,0,1]=4 11301 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|1,0,0]=3 11302 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|1,0,0]=3 11303 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|2,0,0]=4 11304 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|2,0,0]=4 11305 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|2,0,0]=4 11306 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|2,0,0]=4 11307 B10R0.5 CC(C)(C)C(=O)CCCCF 1458a_106744555173_100000729493 [0,2,0,0,0,0|2,0,0]=4 11308 B10R0.5 CC(C)(C)C(=O)CCCCO 1458a_106744555173_100000210776 [0,2,0,0,0,0|2,0,0]=4 11309 B10R0.5 CC(C)(F)C(=O)CCCCF 1458a_100000765255_100000729493 [0,2,0,0,0,0|2,0,0]=4 11310 B10R0.5 CC(C)(F)C(=O)CCCCO 1458a_100000765255_100000210776 [0,2,0,0,0,0|2,0,0]=4 11311 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,2,0,0,0,0|2,0,0]=4 11312 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,2,0,0,0,0|2,0,0]=4 11313 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|1,0,0]=3 11314 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|1,0,0]=3 11315 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|1,0,0]=3 11316 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100000212188_200000243211 [0,2,0,0,0,0|2,0,0]=4 11317 B10R0.5 CCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210326 [0,2,0,0,0,0|2,0,0]=4 11318 B10R0.5 CCCCNC(=O)C(C)(C)C 11a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 11319 B10R0.5 CCCCNC(=O)C(C)(C)C 1626a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 11320 B10R0.5 CCCCNC(=O)C(C)(C)C 240690a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 11321 B10R0.5 CCCCNC(=O)C(C)(C)C 527a_100000102301_106744555173 [0,2,0,0,0,0|2,0,0]=4 11322 B10R0.5 CCCCNC(=O)C(C)(C)F 11a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 11323 B10R0.5 CCCCNC(=O)C(C)(C)F 1626a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 11324 B10R0.5 CCCCNC(=O)C(C)(C)F 240690a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 11325 B10R0.5 CCCCNC(=O)C(C)(C)F 527a_100000102301_100000765255 [0,2,0,0,0,0|2,0,0]=4 11326 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,2,0,0,0,0|2,0,0]=4 11327 B10R0.5 CCCCNC(=O)C(C)(F)F 11a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 11328 B10R0.5 CCCCNC(=O)C(C)(F)F 1626a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 11329 B10R0.5 CCCCNC(=O)C(C)(F)F 240690a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 11330 B10R0.5 CCCCNC(=O)C(C)(F)F 527a_100000102301_100000042251 [0,2,0,0,0,0|2,0,0]=4 11331 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_100000210258_100000229897 [0,2,0,0,0,0|2,0,0]=4 11332 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_200011592769_100000210303 [0,2,0,0,0,0|2,0,0]=4 11333 B10R0.5 CCCOCC(=O)C(C)(C)C 7a_200011592769_100000210303 [0,2,0,0,0,0|2,0,0]=4 11334 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210303_100000210923 [0,2,0,0,0,0|2,0,0]=4 11335 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210923_100000210303 [0,2,0,0,0,0|2,0,0]=4 11336 B10R0.5 CCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215890 [0,2,0,0,0,0|2,0,0]=4 11337 B10R0.5 CCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215890 [0,2,0,0,0,0|2,0,0]=4 11338 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,2,0,0,0,0|2,0,0]=4 11339 B10R0.5 CCSCCC(=O)C(C)(C)C 1458a_106744555173_100000757381 [0,2,0,0,0,0|2,0,0]=4 11340 B10R0.5 CCSCCC(=O)C(C)(C)F 1458a_100000765255_100000757381 [0,2,0,0,0,0|2,0,0]=4 11341 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,2,0,0,0,0|2,0,0]=4 11342 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,2,0,0,0,0|2,0,0]=4 11343 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,2,0,0,0,0|2,0,0]=4 11344 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,2,0,0,0,0|2,0,0]=4 11345 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|1,0,1]=4 11346 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|1,0,1]=4 11347 B10R0.86 CCCCCC(OC)C(C)C 34a_200011216997_200000210301 [0,2,0,0,0,0|1,0,1]=4 11348 B10R0.86 CCCCCC(OC)C(C)C 7a_200011216997_200000210301 [0,2,0,0,0,0|1,0,1]=4 11349 B10R0.86 CCCCCC(O[13CH3])C(C)C 34a_200011216997_200025704644 [0,2,0,0,0,0|1,0,1]=4 11350 B10R0.86 CCCCCC(O[13CH3])C(C)C 7a_200011216997_200025704644 [0,2,0,0,0,0|1,0,1]=4 11351 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,0,0,1,0,0|2,0,0]=4 11352 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,0,0,1,0,0|2,0,0]=4 11353 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,0,0,1,0,0|2,0,0]=4 11354 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 11355 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,0,0,1,0,0|1,0,1]=4 11356 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,0,0,1,0,0|1,0,1]=4 11357 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 11358 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,1]=4 11359 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 11360 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,1]=4 11361 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,1]=4 11362 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 11363 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,1,0,0|1,0,1]=4 11364 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,1,0,0|1,0,1]=4 11365 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,1,0,0|1,0,1]=4 11366 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,1,0,0|1,0,1]=4 11367 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|2,0,0]=4 11368 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|0,0,1]=3 11369 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|0,0,1]=3 11370 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|0,0,1]=3 11371 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,1]=4 11372 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,1,0,0|1,0,1]=4 11373 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,1,0,0|1,0,1]=4 11374 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,1,0,0|1,0,1]=4 11375 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,1,0,0|1,0,1]=4 11376 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,1,0,0|1,0,1]=4 11377 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,1,0,0|1,0,1]=4 11378 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,1,0,0|1,0,1]=4 11379 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|0,1,1]=4 11380 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|0,1,1]=4 11381 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,1,0,0|1,0,1]=4 11382 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 11383 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 11384 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 11385 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,1,0,0|1,0,1]=4 11386 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|2,0,0]=4 11387 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|0,0,1]=3 11388 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|0,0,1]=3 11389 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,1]=4 11390 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,1,0,0|1,0,1]=4 11391 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,1,0,0|1,0,1]=4 11392 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,1,0,0|1,0,1]=4 11393 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,1,0,0|1,0,1]=4 11394 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,1,0,0|1,0,1]=4 11395 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|0,1,1]=4 11396 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|0,1,1]=4 11397 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,1,0,0|1,0,1]=4 11398 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 11399 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 11400 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 11401 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 11402 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 11403 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 11404 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,1,0,0|2,0,0]=4 11405 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,1,0,0|2,0,0]=4 11406 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|2,0,0]=4 11407 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|2,0,0]=4 11408 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|2,0,0]=4 11409 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|2,0,0]=4 11410 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [1,0,0,1,0,0|1,0,1]=4 11411 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [1,0,0,1,0,0|1,0,1]=4 11412 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [1,0,0,1,0,0|1,0,1]=4 11413 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [1,0,0,1,0,0|1,0,1]=4 11414 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [1,0,0,1,0,0|1,0,1]=4 11415 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|2,0,0]=4 11416 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|2,0,0]=4 11417 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|2,0,0]=4 11418 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [1,0,0,1,0,0|1,0,1]=4 11419 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [1,0,0,1,0,0|1,0,1]=4 11420 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|2,0,0]=4 11421 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|2,0,0]=4 11422 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [1,0,0,1,0,0|1,0,1]=4 11423 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 11424 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 11425 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,1]=4 11426 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 11427 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,1]=4 11428 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 11429 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 11430 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 11431 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [1,0,0,1,0,0|1,0,1]=4 11432 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [1,0,0,1,0,0|1,0,1]=4 11433 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [1,0,0,1,0,0|1,0,1]=4 11434 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|2,0,0]=4 11435 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|0,0,1]=3 11436 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|0,0,1]=3 11437 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|0,0,1]=3 11438 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 11439 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 11440 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 11441 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [1,0,0,1,0,0|1,0,1]=4 11442 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [1,0,0,1,0,0|1,0,1]=4 11443 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [1,0,0,1,0,0|1,0,1]=4 11444 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [1,0,0,1,0,0|1,0,1]=4 11445 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 11446 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|0,1,1]=4 11447 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|0,1,1]=4 11448 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [1,0,0,1,0,0|1,0,1]=4 11449 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [1,0,0,1,0,0|1,0,1]=4 11450 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 11451 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 11452 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 11453 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [1,0,0,1,0,0|1,0,1]=4 11454 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|2,0,0]=4 11455 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|0,0,1]=3 11456 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|0,0,1]=3 11457 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 11458 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 11459 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 11460 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [1,0,0,1,0,0|1,0,1]=4 11461 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 11462 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|0,1,1]=4 11463 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|0,1,1]=4 11464 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [1,0,0,1,0,0|1,0,1]=4 11465 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [1,0,0,1,0,0|1,0,1]=4 11466 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|2,0,0]=4 11467 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|2,0,0]=4 11468 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,1,0,0|2,0,0]=4 11469 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [1,0,0,1,0,0|1,0,1]=4 11470 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [1,0,0,1,0,0|1,0,1]=4 11471 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [1,0,0,1,0,0|1,0,1]=4 11472 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|2,0,0]=4 11473 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|2,0,0]=4 11474 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|2,0,0]=4 11475 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|2,0,0]=4 11476 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [1,0,0,1,0,0|1,0,1]=4 11477 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [1,0,0,1,0,0|1,0,1]=4 11478 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [1,0,0,1,0,0|1,0,1]=4 11479 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|2,0,0]=4 11480 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|2,0,0]=4 11481 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [1,0,0,1,0,0|1,0,1]=4 11482 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [1,0,0,1,0,0|1,0,1]=4 11483 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|2,0,0]=4 11484 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|2,0,0]=4 11485 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [1,0,0,1,0,0|1,0,1]=4 11486 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [1,0,0,1,0,0|1,0,1]=4 11487 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [1,0,0,1,0,0|1,0,1]=4 11488 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [1,0,0,1,0,0|1,0,1]=4 11489 B8R1.10 COCNC1CCC1 2230a_100000749019_100000766300 [1,0,0,1,0,0|1,0,1]=4 11490 B8R1.10 COCSC1CCC1 62a_100000766300_100000749161 [1,0,0,1,0,0|1,0,1]=4 11491 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [1,0,0,1,0,0|1,0,1]=4 11492 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|0,0,1]=3 11493 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|0,0,1]=3 11494 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 11495 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 11496 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 11497 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 11498 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 11499 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 11500 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|2,0,0]=4 11501 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|2,0,0]=4 11502 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|2,0,0]=4 11503 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|2,0,0]=4 11504 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|2,0,0]=4 11505 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,1]=4 11506 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|0,0,1]=3 11507 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|0,0,1]=3 11508 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [1,0,0,1,0,0|1,0,1]=4 11509 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [1,0,0,1,0,0|1,0,1]=4 11510 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [1,0,0,1,0,0|1,0,1]=4 11511 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [1,0,0,1,0,0|1,0,1]=4 11512 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [1,0,0,1,0,0|1,0,1]=4 11513 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [1,0,0,1,0,0|1,0,1]=4 11514 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 11515 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 11516 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [1,0,0,1,0,0|1,0,1]=4 11517 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 11518 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 11519 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [1,0,0,1,0,0|1,0,1]=4 11520 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [1,0,0,1,0,0|1,0,1]=4 11521 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 11522 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 11523 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 11524 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 11525 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 11526 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 11527 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|2,0,0]=4 11528 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|2,0,0]=4 11529 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|2,0,0]=4 11530 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|2,0,0]=4 11531 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|2,0,0]=4 11532 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,1]=4 11533 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,1]=4 11534 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|1,0,1]=4 11535 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|1,0,1]=4 11536 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|1,0,1]=4 11537 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|1,0,1]=4 11538 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|2,0,0]=4 11539 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|2,0,0]=4 11540 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,1]=4 11541 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|2,0,0]=4 11542 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|2,0,0]=4 11543 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|2,0,0]=4 11544 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 11545 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 11546 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|2,0,0]=4 11547 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|2,0,0]=4 11548 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,1]=4 11549 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,1]=4 11550 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 11551 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,1]=4 11552 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 11553 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,1]=4 11554 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [1,0,0,1,0,0|1,0,1]=4 11555 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [1,0,0,1,0,0|1,0,1]=4 11556 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [1,0,0,1,0,0|1,0,1]=4 11557 B8R1.36 COCCSC1CC1 62a_100000233755_100000211595 [1,0,0,1,0,0|1,0,1]=4 11558 B8R1.36 COCNCC1CC1 2230a_100000735609_100000766300 [1,0,0,1,0,0|1,0,1]=4 11559 B8R1.36 COCSCC1CC1 62a_100000756562_100000766300 [1,0,0,1,0,0|1,0,1]=4 11560 B8R1.36 COCSCC1CC1 62a_100000766300_100000742324 [1,0,0,1,0,0|1,0,1]=4 11561 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,1]=4 11562 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,1]=4 11563 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [1,0,0,1,0,0|1,0,1]=4 11564 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,1]=4 11565 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,1]=4 11566 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|1,0,1]=4 11567 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 11568 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 11569 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 11570 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 11571 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|1,0,1]=4 11572 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 11573 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 11574 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 11575 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 11576 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 11577 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 11578 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 11579 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|1,0,1]=4 11580 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|1,0,1]=4 11581 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [1,0,0,1,0,0|1,0,1]=4 11582 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [1,0,0,1,0,0|1,0,1]=4 11583 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|1,0,0]=3 11584 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|1,0,0]=3 11585 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|2,0,0]=4 11586 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|2,0,0]=4 11587 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|2,0,0]=4 11588 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 11589 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 11590 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|2,0,0]=4 11591 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,0]=3 11592 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 11593 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 11594 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 11595 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [1,0,0,1,0,0|2,0,0]=4 11596 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 11597 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 11598 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 11599 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|2,0,0]=4 11600 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 11601 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 11602 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 11603 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 11604 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 11605 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [1,0,0,1,0,0|1,0,1]=4 11606 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [1,0,0,1,0,0|1,0,1]=4 11607 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|2,0,0]=4 11608 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|2,0,0]=4 11609 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|1,0,1]=4 11610 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|1,0,1]=4 11611 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,0]=3 11612 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,0]=3 11613 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|2,0,0]=4 11614 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|2,0,0]=4 11615 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|2,0,0]=4 11616 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 11617 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 11618 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|2,0,0]=4 11619 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,0]=3 11620 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 11621 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 11622 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 11623 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 11624 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 11625 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 11626 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 11627 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 11628 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|2,0,0]=4 11629 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|2,0,0]=4 11630 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,0,0,1,0,0|1,0,1]=4 11631 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,0,0,1,0,0|1,0,1]=4 11632 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,0,0,1,0,0|1,0,1]=4 11633 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,0,0,1,0,0|1,0,1]=4 11634 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|2,0,0]=4 11635 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,0]=3 11636 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|2,0,0]=4 11637 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,0]=3 11638 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 11639 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 11640 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 11641 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 11642 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 11643 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|1,0,0]=3 11644 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|1,0,0]=3 11645 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 11646 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 11647 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 11648 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 11649 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 11650 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 11651 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 11652 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 11653 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 11654 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 11655 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 11656 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [1,0,0,1,0,0|2,0,0]=4 11657 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 11658 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [1,0,0,1,0,0|2,0,0]=4 11659 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [1,0,0,1,0,0|2,0,0]=4 11660 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [1,0,0,1,0,0|2,0,0]=4 11661 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [1,0,0,1,0,0|2,0,0]=4 11662 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|1,0,0]=3 11663 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 11664 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,0]=3 11665 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|1,0,0]=3 11666 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,0]=3 11667 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,0]=3 11668 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [1,0,0,1,0,0|2,0,0]=4 11669 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|1,0,0]=3 11670 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,0]=3 11671 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,0]=3 11672 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|0,0,2]=4 11673 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|0,0,2]=4 11674 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,0]=2 11675 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,0]=2 11676 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,0]=3 11677 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,0]=3 11678 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,0]=3 11679 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,0]=3 11680 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,0]=3 11681 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 11682 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 11683 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|2,0,0]=4 11684 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,0]=3 11685 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 11686 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 11687 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 11688 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,1,0,0|2,0,0]=4 11689 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,1,0,0|2,0,0]=4 11690 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,1,0,0|2,0,0]=4 11691 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 11692 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 11693 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,1,0,0|2,0,0]=4 11694 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|0,0,2]=4 11695 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|0,0,2]=4 11696 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,0]=2 11697 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,0]=3 11698 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,0]=3 11699 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,0]=3 11700 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 11701 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 11702 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 11703 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 11704 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 11705 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 11706 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,1]=4 11707 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 11708 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 11709 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,0]=3 11710 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 11711 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 11712 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [1,0,0,1,0,0|2,0,0]=4 11713 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|0,0,2]=4 11714 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,0]=2 11715 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,0]=2 11716 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,0]=3 11717 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,0]=3 11718 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,0]=3 11719 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 11720 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 11721 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 11722 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,0]=3 11723 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 11724 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 11725 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 11726 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|2,0,0]=4 11727 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 11728 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 11729 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 11730 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|2,0,0]=4 11731 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 11732 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 11733 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [1,0,0,1,0,0|2,0,0]=4 11734 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 11735 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [1,0,0,1,0,0|2,0,0]=4 11736 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 11737 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 11738 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [1,0,0,1,0,0|2,0,0]=4 11739 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 11740 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 11741 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|0,0,2]=4 11742 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,0]=2 11743 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,0]=3 11744 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [1,0,0,1,0,0|2,0,0]=4 11745 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [1,0,0,1,0,0|2,0,0]=4 11746 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [1,0,0,1,0,0|2,0,0]=4 11747 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|0,0,2]=4 11748 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,0]=2 11749 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,0]=2 11750 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,0]=3 11751 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|1,0,0]=3 11752 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 11753 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 11754 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 11755 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,0]=3 11756 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 11757 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 11758 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [1,0,0,1,0,0|2,0,0]=4 11759 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 11760 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 11761 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 11762 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 11763 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 11764 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|0,0,2]=4 11765 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,0]=2 11766 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [1,0,0,1,0,0|1,0,1]=4 11767 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,0]=2 11768 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,0]=2 11769 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [1,0,0,1,0,0|1,0,1]=4 11770 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,1,0,0|1,0,1]=4 11771 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,1,0,0|1,0,1]=4 11772 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|1,0,0]=3 11773 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,1,0,0|2,0,0]=4 11774 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,1,0,1,0,0|1,0,1]=4 11775 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,1,0,0|2,0,0]=4 11776 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,1,0,0|2,0,0]=4 11777 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 11778 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 11779 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 11780 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 11781 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 11782 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 11783 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 11784 B10R1.14 CCC(C)N1CNC(=O)C1 2230a_200000708111_100000758301 [0,1,0,1,0,0|2,0,0]=4 11785 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|1,0,0]=3 11786 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|1,0,0]=3 11787 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 11788 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 11789 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 11790 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 11791 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 11792 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 11793 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 11794 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 11795 B10R1.14 CNC(=O)N1CCC(C1)O 2708a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 11796 B10R1.14 CNC(=O)N1CCC(C1)O 273464a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 11797 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 2708a_100102657272_100015203821 [0,1,0,1,0,0|2,0,0]=4 11798 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 273464a_100102657272_100015203821 [0,1,0,1,0,0|2,0,0]=4 11799 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 11800 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 11801 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 11802 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 11803 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 11804 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 11805 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|2,0,0]=4 11806 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,1,0,0|1,0,1]=4 11807 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,1,0,1,0,0|1,0,1]=4 11808 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [0,1,0,1,0,0|2,0,0]=4 11809 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,1,0,1,0,0|2,0,0]=4 11810 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,1,0,1,0,0|2,0,0]=4 11811 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,1,0,1,0,0|2,0,0]=4 11812 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,1,0,1,0,0|2,0,0]=4 11813 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,1,0,1,0,0|2,0,0]=4 11814 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,1,0,1,0,0|2,0,0]=4 11815 B10R1.54 CC(O)CN1CNC(=O)C1 2230a_200000708111_100011218427 [0,1,0,1,0,0|2,0,0]=4 11816 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,1,0,1,0,0|2,0,0]=4 11817 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,1,0,1,0,0|2,0,0]=4 11818 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,1,0,1,0,0|2,0,0]=4 11819 B10R1.54 C[C@@H](O)CN1CNC(=O)C1 2230a_200000708111_100009817552 [0,1,0,1,0,0|2,0,0]=4 11820 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|1,0,1]=4 11821 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,1,0,1,0,0|2,0,0]=4 11822 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|2,0,0]=4 11823 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|2,0,0]=4 11824 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|2,0,0]=4 11825 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|2,0,0]=4 11826 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,1,0,1,0,0|2,0,0]=4 11827 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|2,0,0]=4 11828 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,1,0,0|2,0,0]=4 11829 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,1,0,0|2,0,0]=4 11830 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 11831 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 11832 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,1,0,1,0,0|2,0,0]=4 11833 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,1,0,1,0,0|2,0,0]=4 11834 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,1,0,0|2,0,0]=4 11835 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,1,0,0|2,0,0]=4 11836 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,1,0,1,0,0|1,0,1]=4 11837 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [0,1,0,1,0,0|2,0,0]=4 11838 B10R1.150 CCC(=O)CN1CC(C1)F 269982a_100000690557_100000747405 [0,1,0,1,0,0|2,0,0]=4 11839 B10R1.150 CCC(=O)CN1CC(C1)O 269982a_100000749847_100000747405 [0,1,0,1,0,0|2,0,0]=4 11840 B10R1.150 CCC(=O)NC1CC(C1)F 11a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 11841 B10R1.150 CCC(=O)NC1CC(C1)F 1626a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 11842 B10R1.150 CCC(=O)NC1CC(C1)F 240690a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 11843 B10R1.150 CCC(=O)NC1CC(C1)F 527a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 11844 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 11845 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 11846 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 11847 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 11848 B10R1.150 CNC(=O)CN1CC(C1)C 2230a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 11849 B10R1.150 CNC(=O)CN1CC(C1)C 269982a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 11850 B10R1.150 CNC(=O)CN1CC(C1)C 34a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 11851 B10R1.150 CNC(=O)CN1CC(C1)F 2230a_100000690557_100000183359 [0,1,0,1,0,0|2,0,0]=4 11852 B10R1.150 CNC(=O)CN1CC(C1)F 269982a_100000690557_100000183359 [0,1,0,1,0,0|2,0,0]=4 11853 B10R1.150 CNC(=O)CN1CC(C1)F 34a_100000690557_100000183359 [0,1,0,1,0,0|2,0,0]=4 11854 B10R1.150 CNC(=O)CN1CC(C1)O 269982a_100000749847_100000183359 [0,1,0,1,0,0|2,0,0]=4 11855 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100016993743_106832991635 [0,1,0,1,0,0|2,0,0]=4 11856 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100102657272_100016993743 [0,1,0,1,0,0|2,0,0]=4 11857 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100016993743_100102657272 [0,1,0,1,0,0|2,0,0]=4 11858 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100102657272_100016993743 [0,1,0,1,0,0|2,0,0]=4 11859 B10R1.150 CNC(=O)NC1CC(C1)F 512a_100016993743_100102657272 [0,1,0,1,0,0|2,0,0]=4 11860 B10R1.150 CNC(=O)NC1CC(C1)F 512a_106832991638_100016993743 [0,1,0,1,0,0|2,0,0]=4 11861 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100102657272_100020629032 [0,1,0,1,0,0|2,0,0]=4 11862 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100102657272 [0,1,0,1,0,0|2,0,0]=4 11863 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100102657272_100020629032 [0,1,0,1,0,0|2,0,0]=4 11864 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100102657272 [0,1,0,1,0,0|2,0,0]=4 11865 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_106832991638_100020629032 [0,1,0,1,0,0|2,0,0]=4 11866 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,1,0,1,0,0|1,0,0]=3 11867 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,1,0,1,0,0|1,0,0]=3 11868 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,1,0,1,0,0|1,0,0]=3 11869 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,1,0,1,0,0|1,0,0]=3 11870 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,1,0,1,0,0|1,0,0]=3 11871 B10R1.150 COC(=O)CN1CC(C1)F 2230a_100000690557_100000747449 [0,1,0,1,0,0|1,0,0]=3 11872 B10R1.150 COC(=O)CN1CC(C1)F 269982a_100000690557_100000747449 [0,1,0,1,0,0|1,0,0]=3 11873 B10R1.150 COC(=O)CN1CC(C1)F 34a_100000690557_100000747449 [0,1,0,1,0,0|1,0,0]=3 11874 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,1,0,1,0,0|1,0,0]=3 11875 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,1,0,1,0,0|1,0,1]=4 11876 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|1,0,1]=4 11877 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|1,0,1]=4 11878 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|1,0,1]=4 11879 B10R1.153 CCC(=O)CC#CC1CC1 1458a_100000210414_100009895102 [0,1,0,1,0,0|1,0,1]=4 11880 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|1,0,0]=3 11881 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|1,0,0]=3 11882 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,1,0,1,0,0|2,0,0]=4 11883 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|1,0,0]=3 11884 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|1,0,0]=3 11885 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|1,0,0]=3 11886 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,1,0,1,0,0|2,0,0]=4 11887 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,1,0,1,0,0|2,0,0]=4 11888 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [0,1,0,1,0,0|2,0,0]=4 11889 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [0,1,0,1,0,0|2,0,0]=4 11890 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,1,0,1,0,0|2,0,0]=4 11891 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,1,0,1,0,0|2,0,0]=4 11892 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 11893 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 11894 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 11895 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,1,0,1,0,0|2,0,0]=4 11896 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|1,0,0]=3 11897 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|1,0,0]=3 11898 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|1,0,0]=3 11899 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|1,0,0]=3 11900 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|1,0,0]=3 11901 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|1,0,0]=3 11902 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|1,0,0]=3 11903 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|1,0,0]=3 11904 B10R1.153 CNC(=O)CNCC1CO1 2230a_100000693194_100011216344 [0,1,0,1,0,0|2,0,0]=4 11905 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|1,0,0]=3 11906 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|1,0,0]=3 11907 B10R1.153 CNC(=O)COCC1CO1 34a_100000750040_102125554688 [0,1,0,1,0,0|2,0,0]=4 11908 B10R1.153 CNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183359 [0,1,0,1,0,0|2,0,0]=4 11909 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|1,0,0]=3 11910 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 11911 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 11912 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|1,0,0]=3 11913 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|1,0,0]=3 11914 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|1,0,0]=3 11915 B10R1.153 CNC(=O)CSCC1CO1 62a_100000183359_102125554688 [0,1,0,1,0,0|2,0,0]=4 11916 B10R1.153 CNC(=O)CSCC1CO1 62a_102125554688_100000183359 [0,1,0,1,0,0|2,0,0]=4 11917 B10R1.153 CNC(=O)CSCC1CS1 62a_100000031435_100000183359 [0,1,0,1,0,0|2,0,0]=4 11918 B10R1.153 CNC(=O)CSCC1CS1 62a_100000183359_100000031435 [0,1,0,1,0,0|2,0,0]=4 11919 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000183359_100000745022 [0,1,0,1,0,0|2,0,0]=4 11920 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183359 [0,1,0,1,0,0|2,0,0]=4 11921 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|1,0,0]=3 11922 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 11923 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 11924 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 11925 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 11926 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|1,0,0]=3 11927 B10R1.153 CNC(=O)NNCC1CC1 273464a_100102657272_100000736359 [0,1,0,1,0,0|2,0,0]=4 11928 B10R1.153 CNC(=O)NNCC1CC1 512a_100000736359_100102657272 [0,1,0,1,0,0|2,0,0]=4 11929 B10R1.153 CNC(=O)NNCC1CC1 512a_106832991638_100000736359 [0,1,0,1,0,0|2,0,0]=4 11930 B10R1.153 COC(=O)C=NNC1CC1 4a_100000701032_200011823558 [0,1,0,1,0,0|1,0,1]=4 11931 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|0,0,0]=2 11932 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|0,0,0]=2 11933 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|0,0,0]=2 11934 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|0,0,0]=2 11935 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|0,0,0]=2 11936 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|1,0,0]=3 11937 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|0,0,0]=2 11938 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|0,0,0]=2 11939 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|1,0,0]=3 11940 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|1,0,0]=3 11941 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|1,0,0]=3 11942 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|1,0,0]=3 11943 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|1,0,0]=3 11944 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|1,0,0]=3 11945 B10R1.153 COC(C)COCC1CC1 34a_100000690652_100000742324 [0,1,0,1,0,0|1,0,1]=4 11946 B10R1.153 COC(C)SCCC1CC1 62a_100000764125_100009879195 [0,1,0,1,0,0|1,0,1]=4 11947 B10R1.153 COC(C)SCCC1CC1 62a_100009879195_100000764125 [0,1,0,1,0,0|1,0,1]=4 11948 B10R1.153 CO[C@H](C)CNCC1CC1 2230a_100020591295_100000742324 [0,1,0,1,0,0|1,0,1]=4 11949 B10R1.153 CO[C@H](C)CNCC1CC1 269862a_100020591295_100000741477 [0,1,0,1,0,0|1,0,1]=4 11950 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|2,0,0]=4 11951 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|2,0,0]=4 11952 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|2,0,0]=4 11953 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|2,0,0]=4 11954 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,1,0,1,0,0|1,0,1]=4 11955 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,1,0,1,0,0|1,0,1]=4 11956 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,1,0,0|1,0,1]=4 11957 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,1,0,0|1,0,1]=4 11958 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,1,0,0|2,0,0]=4 11959 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,1,0,0|2,0,0]=4 11960 B10R1.206 CNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183359 [0,1,0,1,0,0|2,0,0]=4 11961 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183359 [0,1,0,1,0,0|2,0,0]=4 11962 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183359 [0,1,0,1,0,0|2,0,0]=4 11963 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|1,0,0]=3 11964 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|1,0,0]=3 11965 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|1,0,0]=3 11966 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 11967 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 11968 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 11969 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 11970 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 11971 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 11972 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|0,0,1]=3 11973 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|0,0,1]=3 11974 B10R1.408 COC(=O)C1CN1C(=O)C 240690a_200009830135_100015343762 [0,1,0,1,0,0|1,0,1]=4 11975 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|1,0,0]=3 11976 B10R1.428 CCC(=O)CC1CC1(F)F 1458a_100000138109_100000210202 [0,1,0,1,0,0|2,0,0]=4 11977 B10R1.428 CCC(=O)CC1CC1(F)F 1458a_100000210414_100009817841 [0,1,0,1,0,0|2,0,0]=4 11978 B10R1.428 CNC(=O)CC1CC1(F)F 11a_106832991635_100000138109 [0,1,0,1,0,0|2,0,0]=4 11979 B10R1.428 CNC(=O)CC1CC1(F)F 1626a_100102657272_100000138109 [0,1,0,1,0,0|2,0,0]=4 11980 B10R1.428 CNC(=O)CC1CC1(F)F 240690a_100102657272_100000138109 [0,1,0,1,0,0|2,0,0]=4 11981 B10R1.428 CNC(=O)CC1CC1(F)F 527a_100102657272_100000138109 [0,1,0,1,0,0|2,0,0]=4 11982 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,1,0,1,0,0|1,0,1]=4 11983 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|2,0,0]=4 11984 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|1,0,0]=3 11985 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 11986 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 11987 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|2,0,0]=4 11988 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,1,0,1,0,0|1,0,1]=4 11989 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 11990 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|2,0,0]=4 11991 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|2,0,0]=4 11992 B10R1.10 COCN1CCC[C@@H](C1)C 2230a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 11993 B10R1.10 COCN1CCC[C@@H](C1)C 269982a_100000717927_100000766300 [0,1,0,1,0,0|2,0,0]=4 11994 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|2,0,0]=4 11995 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|2,0,0]=4 11996 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|2,0,0]=4 11997 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|2,0,0]=4 11998 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|2,0,0]=4 11999 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|2,0,0]=4 12000 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,1,0,1,0,0|1,0,1]=4 12001 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,1,0,1,0,0|1,0,1]=4 12002 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,1,0,1,0,0|1,0,1]=4 12003 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,1,0,1,0,0|1,0,1]=4 12004 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,1,0,1,0,0|1,0,0]=3 12005 B10R1.11 CC#CC(=O)C1CCOC1 1458a_100000763181_100000690089 [0,1,0,1,0,0|2,0,0]=4 12006 B10R1.11 CC(OCF)C1CCCC1 34a_100011216366_100015361967 [0,1,0,1,0,0|1,0,1]=4 12007 B10R1.11 CC(OCF)C1CCCC1 7a_100011216366_100015361967 [0,1,0,1,0,0|1,0,1]=4 12008 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|1,0,0]=3 12009 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,1,0,1,0,0|2,0,0]=4 12010 B10R1.11 CC=CC(=O)N1CCCC1 240690a_100000188435_100000210699 [0,1,0,1,0,0|2,0,0]=4 12011 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|1,0,0]=3 12012 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|1,0,0]=3 12013 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,1,0,1,0,0|2,0,0]=4 12014 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,1,0,1,0,0|2,0,0]=4 12015 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,1,0,1,0,0|2,0,0]=4 12016 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,1,0,1,0,0|2,0,0]=4 12017 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,1,0,1,0,0|2,0,0]=4 12018 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,1,0,1,0,0|2,0,0]=4 12019 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|1,0,0]=3 12020 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|1,0,0]=3 12021 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|1,0,0]=3 12022 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,1,0,1,0,0|2,0,0]=4 12023 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,1,0,1,0,0|2,0,0]=4 12024 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,1,0,1,0,0|2,0,0]=4 12025 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,1,0,1,0,0|2,0,0]=4 12026 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,1,0,1,0,0|2,0,0]=4 12027 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,1,0,1,0,0|2,0,0]=4 12028 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 12029 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,1,0,1,0,0|2,0,0]=4 12030 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,1,0,1,0,0|2,0,0]=4 12031 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,1,0,1,0,0|2,0,0]=4 12032 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,1,0,1,0,0|2,0,0]=4 12033 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 12034 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,1,0,1,0,0|1,0,1]=4 12035 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,1,0,1,0,0|2,0,0]=4 12036 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,1,0,1,0,0|2,0,0]=4 12037 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,1,0,1,0,0|2,0,0]=4 12038 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,1,0,1,0,0|2,0,0]=4 12039 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,1,0,1,0,0|1,0,0]=3 12040 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,1,0,1,0,0|2,0,0]=4 12041 B10R1.11 CNNC(=O)C1CCOC1 22a_100016993582_100011219752 [0,1,0,1,0,0|2,0,0]=4 12042 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,1,0,1,0,0|2,0,0]=4 12043 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,1,0,1,0,0|0,0,0]=2 12044 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,1,0,1,0,0|1,0,0]=3 12045 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,1,0,1,0,0|1,0,0]=3 12046 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,1,0,1,0,0|1,0,0]=3 12047 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,1,0,1,0,0|1,0,0]=3 12048 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,1,0,1,0,0|1,0,0]=3 12049 B10R1.11 COCC(=O)N1CCSC1 11a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 12050 B10R1.11 COCC(=O)N1CCSC1 240690a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 12051 B10R1.11 COCC(=O)N1CCSC1 527a_100011215254_100000210968 [0,1,0,1,0,0|2,0,0]=4 12052 B10R1.11 COCN(C)C1CCCC1 2230a_100000207505_100000766300 [0,1,0,1,0,0|2,0,0]=4 12053 B10R1.11 COCN(C)C1CCCC1 269982a_100000207505_100000766300 [0,1,0,1,0,0|2,0,0]=4 12054 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,1,0,1,0,0|0,1,0]=3 12055 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,1,0,1,0,0|1,1,0]=4 12056 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,1,0,1,0,0|1,1,0]=4 12057 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,1,0,1,0,0|1,1,0]=4 12058 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,1,0,1,0,0|1,1,0]=4 12059 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,1,0,1,0,0|1,1,0]=4 12060 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,1,0,1,0,0|1,0,1]=4 12061 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,1,0,1,0,0|1,0,1]=4 12062 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,1,0,1,0,0|1,0,1]=4 12063 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,1,0,1,0,0|1,0,1]=4 12064 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,1,0,1,0,0|1,0,1]=4 12065 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|1,0,0]=3 12066 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,1,0,1,0,0|2,0,0]=4 12067 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,1,0,1,0,0|2,0,0]=4 12068 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,1,0,1,0,0|2,0,0]=4 12069 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|1,0,0]=3 12070 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|1,0,0]=3 12071 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,1,0,0|2,0,0]=4 12072 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,1,0,0|2,0,0]=4 12073 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,1,0,0|2,0,0]=4 12074 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,1,0,1,0,0|2,0,0]=4 12075 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,1,0,0|2,0,0]=4 12076 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,1,0,1,0,0|2,0,0]=4 12077 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,1,0,1,0,0|1,0,0]=3 12078 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,1,0,1,0,0|1,1,0]=4 12079 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,1,0,1,0,0|1,1,0]=4 12080 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|1,0,0]=3 12081 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 12082 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 12083 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,1,0,1,0,0|2,0,0]=4 12084 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,1,0,1,0,0|2,0,0]=4 12085 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,1,0]=3 12086 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,1,0]=3 12087 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,1,0,1,0,0|1,1,0]=4 12088 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,1,0,1,0,0|1,1,0]=4 12089 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 12090 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,1,0,1,0,0|2,0,0]=4 12091 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,1,0]=3 12092 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,1,0]=3 12093 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,1,0,1,0,0|1,1,0]=4 12094 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,1,0,1,0,0|1,1,0]=4 12095 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 12096 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|2,0,0]=4 12097 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,1,0,1,0,0|1,0,0]=3 12098 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,1,0,1,0,0|1,0,0]=3 12099 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|2,0,0]=4 12100 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|2,0,0]=4 12101 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,0]=3 12102 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|2,0,0]=4 12103 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|2,0,0]=4 12104 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|2,0,0]=4 12105 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,0]=3 12106 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,0]=3 12107 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,1,0,1,0,0|2,0,0]=4 12108 B10R1.29 COCN[C@@H]1CONC1=O 2230a_100000765999_100000766300 [0,1,0,1,0,0|2,0,0]=4 12109 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,1,0,1,0,0|2,0,0]=4 12110 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,1,0,1,0,0|2,0,0]=4 12111 B10R1.29 CSCN[C@@H]1CONC1=O 2230a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 12112 B10R1.29 CSCN[C@@H]1CONC1=O 34a_100000765999_100011218213 [0,1,0,1,0,0|2,0,0]=4 12113 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,1,0,1,0,0|2,0,0]=4 12114 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,1,0,1,0,0|2,0,0]=4 12115 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,1,0,1,0,0|2,0,0]=4 12116 B10R1.29 O=C1NOC[C@H]1NCCF 2230a_100000765999_100011217306 [0,1,0,1,0,0|2,0,0]=4 12117 B10R1.29 O=C1NOC[C@H]1NCCF 34a_100000765999_100011217306 [0,1,0,1,0,0|2,0,0]=4 12118 B10R1.29 O=C1NOC[C@H]1NCCO 2230a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 12119 B10R1.29 O=C1NOC[C@H]1NCCO 34a_100000765999_100000211926 [0,1,0,1,0,0|2,0,0]=4 12120 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,1,0,1,0,0|2,0,0]=4 12121 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,1,0,1,0,0|2,0,0]=4 12122 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,1,0,1,0,0|2,0,0]=4 12123 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 12124 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,1,0,1,0,0|2,0,0]=4 12125 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,1,0,1,0,0|2,0,0]=4 12126 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,1,0,1,0,0|2,0,0]=4 12127 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,1,0,1,0,0|2,0,0]=4 12128 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 12129 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,1,0,1,0,0|1,0,1]=4 12130 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,1,0,1,0,0|1,0,1]=4 12131 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,1,0,1,0,0|1,0,1]=4 12132 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,1,0,1,0,0|1,0,1]=4 12133 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,1,0,1,0,0|1,0,1]=4 12134 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 12135 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,1,0,1,0,0|2,0,0]=4 12136 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,1,0,1,0,0|1,0,1]=4 12137 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,1,0,1,0,0|1,0,1]=4 12138 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,1,0,1,0,0|1,0,1]=4 12139 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,1,0,1,0,0|1,0,1]=4 12140 B10R1.96 CCCN1CC[C@H](C1)OC 2230a_100000766984_100000210303 [0,1,0,1,0,0|1,0,1]=4 12141 B10R1.96 CCCN1CC[C@H](C1)OC 269982a_100000766984_100000210303 [0,1,0,1,0,0|1,0,1]=4 12142 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [0,1,0,1,0,0|1,0,1]=4 12143 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,1,0,1,0,0|1,0,1]=4 12144 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [0,1,0,1,0,0|1,0,1]=4 12145 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|1,0,0]=3 12146 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|1,0,0]=3 12147 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,1,0,1,0,0|1,0,0]=3 12148 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|1,0,0]=3 12149 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|1,0,0]=3 12150 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|1,0,0]=3 12151 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|1,0,0]=3 12152 B10R1.136 COCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210968 [0,1,0,1,0,0|2,0,0]=4 12153 B10R1.136 COCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210968 [0,1,0,1,0,0|2,0,0]=4 12154 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 12155 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 12156 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 12157 B10R1.136 COCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210968 [0,1,0,1,0,0|2,0,0]=4 12158 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [0,1,0,1,0,0|1,0,1]=4 12159 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [0,1,0,1,0,0|1,0,1]=4 12160 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,1,0,1,0,0|1,0,1]=4 12161 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,1,0,1,0,0|1,0,1]=4 12162 B10R1.137 C=COC(=O)CN1CCC1 269982a_100000754969_100000036128 [0,1,0,1,0,0|1,0,1]=4 12163 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,1,0,1,0,0|1,0,0]=3 12164 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [0,1,0,1,0,0|2,0,0]=4 12165 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,1,0,1,0,0|2,0,0]=4 12166 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|1,0,0]=3 12167 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,1,0,1,0,0|2,0,0]=4 12168 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,1,0,1,0,0|2,0,0]=4 12169 B10R1.137 CC=CC(=O)NC1CCC1 11a_100000749019_100000210699 [0,1,0,1,0,0|2,0,0]=4 12170 B10R1.137 CC=CC(=O)NC1CCC1 1626a_100000749019_100000210699 [0,1,0,1,0,0|2,0,0]=4 12171 B10R1.137 CC=CC(=O)NC1CCC1 240690a_100000749019_100000210699 [0,1,0,1,0,0|2,0,0]=4 12172 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|1,0,0]=3 12173 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|1,0,0]=3 12174 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,1,0,1,0,0|2,0,0]=4 12175 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,1,0,1,0,0|2,0,0]=4 12176 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,1,0,1,0,0|2,0,0]=4 12177 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,1,0,1,0,0|2,0,0]=4 12178 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 12179 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 12180 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 12181 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,1,0,1,0,0|2,0,0]=4 12182 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|1,0,0]=3 12183 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|1,0,0]=3 12184 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|1,0,0]=3 12185 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,1,0,1,0,0|2,0,0]=4 12186 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,1,0,1,0,0|2,0,0]=4 12187 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 12188 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 12189 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 12190 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,1,0,1,0,0|2,0,0]=4 12191 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,1,0,1,0,0|2,0,0]=4 12192 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|1,0,0]=3 12193 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,1,0,1,0,0|1,0,0]=3 12194 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,1,0,1,0,0|2,0,0]=4 12195 B10R1.137 CNNC(=O)NC1CCC1 273464a_100000749019_100016993582 [0,1,0,1,0,0|2,0,0]=4 12196 B10R1.137 CNNC(=O)NC1CCC1 512a_100000749019_100016993582 [0,1,0,1,0,0|2,0,0]=4 12197 B10R1.137 CNNC(=O)NC1CCC1 512a_100016993582_100000749019 [0,1,0,1,0,0|2,0,0]=4 12198 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,1,0,1,0,0|0,0,0]=2 12199 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,1,0,1,0,0|1,0,0]=3 12200 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,1,0,1,0,0|1,0,0]=3 12201 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 12202 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 12203 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 12204 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,1,0,1,0,0|1,0,0]=3 12205 B10R1.137 COCC(=O)NC1COC1 11a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 12206 B10R1.137 COCC(=O)NC1COC1 1626a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 12207 B10R1.137 COCC(=O)NC1COC1 240690a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 12208 B10R1.137 COCC(=O)NC1COC1 527a_100016991112_100000210968 [0,1,0,1,0,0|2,0,0]=4 12209 B10R1.137 COCC(=O)NC1CSC1 11a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 12210 B10R1.137 COCC(=O)NC1CSC1 1626a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 12211 B10R1.137 COCC(=O)NC1CSC1 240690a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 12212 B10R1.137 COCC(=O)NC1CSC1 527a_100016994217_100000210968 [0,1,0,1,0,0|2,0,0]=4 12213 B10R1.137 COCN(C)CC1CCC1 2230a_200000750244_100000766300 [0,1,0,1,0,0|2,0,0]=4 12214 B10R1.137 COCN(C)CC1CCC1 269982a_200000750244_100000766300 [0,1,0,1,0,0|2,0,0]=4 12215 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,1,0,1,0,0|0,1,0]=3 12216 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,1,0,1,0,0|1,1,0]=4 12217 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,1,0,1,0,0|1,1,0]=4 12218 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,1,0,1,0,0|1,1,0]=4 12219 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,1,0,1,0,0|1,1,0]=4 12220 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,1,0,1,0,0|1,1,0]=4 12221 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,1,0,1,0,0|1,1,0]=4 12222 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [0,1,0,1,0,0|1,0,1]=4 12223 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [0,1,0,1,0,0|1,0,1]=4 12224 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,1,0,1,0,0|1,0,1]=4 12225 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,1,0,1,0,0|1,0,1]=4 12226 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,1,0,1,0,0|1,0,1]=4 12227 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|1,0,0]=3 12228 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,1,0,1,0,0|2,0,0]=4 12229 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|1,0,0]=3 12230 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|1,0,0]=3 12231 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|2,0,0]=4 12232 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|2,0,0]=4 12233 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|2,0,0]=4 12234 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,1,0,1,0,0|2,0,0]=4 12235 B10R1.137 O=C(CN1CCC1)NCO 269982a_100000754969_100000185155 [0,1,0,1,0,0|2,0,0]=4 12236 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [0,1,0,1,0,0|1,0,1]=4 12237 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [0,1,0,1,0,0|1,0,1]=4 12238 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,1,0,1,0,0|1,0,1]=4 12239 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,1,0,1,0,0|1,0,1]=4 12240 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,1,0,1,0,0|1,0,1]=4 12241 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,1,0,1,0,0|1,0,1]=4 12242 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,1,0,1,0,0|1,0,0]=3 12243 B10R1.138 CC#CC(=O)CCC1CO1 1458a_100000763181_100000732470 [0,1,0,1,0,0|2,0,0]=4 12244 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,1,0,1,0,0|1,0,0]=3 12245 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,1,0,1,0,0|2,0,0]=4 12246 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [0,1,0,1,0,0|2,0,0]=4 12247 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [0,1,0,1,0,0|2,0,0]=4 12248 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [0,1,0,1,0,0|2,0,0]=4 12249 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|1,0,0]=3 12250 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|1,0,0]=3 12251 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,1,0,1,0,0|2,0,0]=4 12252 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,1,0,1,0,0|2,0,0]=4 12253 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 12254 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 12255 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 12256 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,1,0,1,0,0|2,0,0]=4 12257 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|1,0,0]=3 12258 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|1,0,0]=3 12259 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|1,0,0]=3 12260 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,1,0,1,0,0|2,0,0]=4 12261 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,1,0,1,0,0|2,0,0]=4 12262 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 12263 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 12264 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 12265 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 12266 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,1,0,1,0,0|2,0,0]=4 12267 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,1,0,1,0,0|2,0,0]=4 12268 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,1,0,1,0,0|1,0,0]=3 12269 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,1,0,1,0,0|1,0,0]=3 12270 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,1,0,1,0,0|1,0,0]=3 12271 B10R1.138 CNNC(=O)NCC1CC1 273464a_100000735609_100016993582 [0,1,0,1,0,0|2,0,0]=4 12272 B10R1.138 CNNC(=O)NCC1CC1 512a_100000735609_100016993582 [0,1,0,1,0,0|2,0,0]=4 12273 B10R1.138 CNNC(=O)NCC1CC1 512a_100016993582_100000735609 [0,1,0,1,0,0|2,0,0]=4 12274 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,1,0,1,0,0|0,0,0]=2 12275 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,1,0,1,0,0|1,0,0]=3 12276 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 12277 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 12278 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 12279 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,1,0,1,0,0|1,0,0]=3 12280 B10R1.138 COCC(=O)NNC1CC1 22a_100000701032_100000210968 [0,1,0,1,0,0|2,0,0]=4 12281 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,1,0,1,0,0|0,1,0]=3 12282 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,1,0,1,0,0|1,1,0]=4 12283 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,1,0,1,0,0|1,1,0]=4 12284 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,1,0,1,0,0|1,1,0]=4 12285 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,1,0,1,0,0|1,1,0]=4 12286 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,1,0,1,0,0|1,1,0]=4 12287 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [0,1,0,1,0,0|1,0,1]=4 12288 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [0,1,0,1,0,0|1,0,1]=4 12289 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,1,0,1,0,0|1,0,1]=4 12290 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,1,0,1,0,0|1,0,1]=4 12291 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,1,0,1,0,0|1,0,1]=4 12292 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|1,0,0]=3 12293 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|1,0,0]=3 12294 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|1,0,0]=3 12295 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,1,0,1,0,0|2,0,0]=4 12296 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,1,0,1,0,0|2,0,0]=4 12297 B10R1.138 O=C(CNC1CC1)NCO 34a_100000212008_100000185155 [0,1,0,1,0,0|2,0,0]=4 12298 B10R1.138 O=C(CSC1CC1)NCO 62a_100000185155_100000211595 [0,1,0,1,0,0|2,0,0]=4 12299 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,1,0,1,0,0|2,0,0]=4 12300 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,1,0,1,0,0|2,0,0]=4 12301 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,1,0,1,0,0|2,0,0]=4 12302 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,1]=4 12303 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 12304 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 12305 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,1,0,1,0,0|2,0,0]=4 12306 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,1,0,1,0,0|2,0,0]=4 12307 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 12308 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,1,0,1,0,0|2,0,0]=4 12309 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|1,0,1]=4 12310 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,1,0,1,0,0|1,0,0]=3 12311 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,1,0,1,0,0|1,0,0]=3 12312 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,1,0,1,0,0|1,0,0]=3 12313 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,1,0,1,0,0|1,1,0]=4 12314 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,1,0,1,0,0|1,1,0]=4 12315 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,1,0,1,0,0|1,1,0]=4 12316 B10R1.186 C#CCCCC(=O)C1CO1 1458a_100000701028_100000731252 [0,1,0,1,0,0|0,0,2]=4 12317 B10R1.186 C=CCCCC(=O)C1CO1 1458a_100000701028_100000757094 [0,1,0,1,0,0|0,0,2]=4 12318 B10R1.186 CC/C=C\CC(=O)C1CO1 1458a_100000701028_100103147603 [0,1,0,1,0,0|0,0,2]=4 12319 B10R1.186 CCC#CCC(=O)C1CO1 1458a_100000701028_100009813939 [0,1,0,1,0,0|0,0,2]=4 12320 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|1,0,0]=3 12321 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,0]=2 12322 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 12323 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 12324 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 12325 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|2,0,0]=4 12326 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12327 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12328 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12329 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,0]=3 12330 B10R1.186 CCCNNC(=O)C1CO1 22a_100000740057_100000701028 [0,1,0,1,0,0|2,0,0]=4 12331 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,1,0,1,0,0|2,0,0]=4 12332 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,1,0,1,0,0|2,0,0]=4 12333 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,1,0,1,0,0|2,0,0]=4 12334 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,1,0,1,0,0|2,0,0]=4 12335 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,1,0,1,0,0|2,0,0]=4 12336 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|1,0,0]=3 12337 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,1,0,1,0,0|2,0,0]=4 12338 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,0]=3 12339 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|2,0,0]=4 12340 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,0]=3 12341 B10R1.186 COCCNC(=O)C1CO1 1626a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 12342 B10R1.186 COCCNC(=O)C1CO1 240690a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 12343 B10R1.186 COCCNC(=O)C1CO1 527a_100000209980_100000701028 [0,1,0,1,0,0|2,0,0]=4 12344 B10R1.186 CSCCNC(=O)C1CO1 11a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12345 B10R1.186 CSCCNC(=O)C1CO1 1626a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12346 B10R1.186 CSCCNC(=O)C1CO1 240690a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12347 B10R1.186 CSCCNC(=O)C1CO1 527a_100020590264_100000701028 [0,1,0,1,0,0|2,0,0]=4 12348 B10R1.186 N#CCCCC(=O)C1CO1 1458a_100000701028_100000211468 [0,1,0,1,0,0|1,0,1]=4 12349 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|2,0,0]=4 12350 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|1,0,0]=3 12351 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|2,0,0]=4 12352 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,0]=3 12353 B10R1.186 O=C(NCCCF)C1CO1 11a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12354 B10R1.186 O=C(NCCCF)C1CO1 1626a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12355 B10R1.186 O=C(NCCCF)C1CO1 240690a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12356 B10R1.186 O=C(NCCCF)C1CO1 527a_100015189416_100000701028 [0,1,0,1,0,0|2,0,0]=4 12357 B10R1.186 O=C(NCCCO)C1CO1 240690a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 12358 B10R1.186 O=C(NCCCO)C1CO1 527a_100000182051_100000701028 [0,1,0,1,0,0|2,0,0]=4 12359 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [0,1,0,1,0,0|1,0,1]=4 12360 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [0,1,0,1,0,0|1,0,1]=4 12361 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [0,1,0,1,0,0|1,0,1]=4 12362 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [0,1,0,1,0,0|1,0,1]=4 12363 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [0,1,0,1,0,0|1,0,1]=4 12364 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [0,1,0,1,0,0|1,0,1]=4 12365 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [0,1,0,1,0,0|1,0,1]=4 12366 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [0,1,0,1,0,0|1,0,1]=4 12367 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [0,1,0,1,0,0|1,0,1]=4 12368 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,1,0,1,0,0|1,0,1]=4 12369 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [0,1,0,1,0,0|1,0,1]=4 12370 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [0,1,0,1,0,0|1,0,1]=4 12371 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [0,1,0,1,0,0|1,0,1]=4 12372 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [0,1,0,1,0,0|1,0,1]=4 12373 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [0,1,0,1,0,0|1,0,1]=4 12374 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [0,1,0,1,0,0|1,0,1]=4 12375 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [0,1,0,1,0,0|1,0,1]=4 12376 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [0,1,0,1,0,0|1,0,1]=4 12377 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|1,0,1]=4 12378 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,1,0,0|1,0,1]=4 12379 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,1,0,0|1,0,1]=4 12380 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|1,0,1]=4 12381 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|1,0,1]=4 12382 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,1,0,0|1,0,1]=4 12383 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 12384 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 12385 B10R1.15 CC(O[13CH3])C1CCCNC1 34a_100000740858_200025704644 [0,1,0,1,0,0|1,0,1]=4 12386 B10R1.15 CC(O[13CH3])C1CCNCC1 34a_100011728446_200025704644 [0,1,0,1,0,0|1,0,1]=4 12387 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|1,0,1]=4 12388 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,1,0,0|1,0,1]=4 12389 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|1,0,0]=3 12390 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|1,0,0]=3 12391 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|1,0,0]=3 12392 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|1,0,0]=3 12393 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|1,0,0]=3 12394 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|1,0,0]=3 12395 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|1,0,0]=3 12396 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|1,0,0]=3 12397 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,1,0,0|2,0,0]=4 12398 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,1,0,1,0,0|2,0,0]=4 12399 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,1,0,0|2,0,0]=4 12400 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,1,0,0|2,0,0]=4 12401 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 12402 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 12403 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 12404 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,1,0,1,0,0|2,0,0]=4 12405 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 12406 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 12407 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,1,0,1,0,0|2,0,0]=4 12408 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,1,0,1,0,0|1,0,1]=4 12409 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|1,0,1]=4 12410 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 12411 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 12412 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 12413 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|1,0,0]=3 12414 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 12415 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 12416 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 12417 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|1,0,0]=3 12418 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 12419 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 12420 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|1,0,0]=3 12421 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|1,0,0]=3 12422 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 12423 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 12424 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|1,0,0]=3 12425 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,1,0,0|1,0,0]=3 12426 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 12427 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 12428 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,1,0,0|1,0,0]=3 12429 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,1,0,0|1,0,0]=3 12430 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 12431 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 12432 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,1,0,0|1,0,0]=3 12433 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,1,0,0|2,0,0]=4 12434 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 12435 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 12436 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,1,0,0|2,0,0]=4 12437 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,1,0,1,0,0|2,0,0]=4 12438 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 12439 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 12440 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,1,0,1,0,0|2,0,0]=4 12441 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,1,0,0|2,0,0]=4 12442 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,1,0,0|2,0,0]=4 12443 B10R1.15 CNC(=O)N1CCOCC1 2708a_100102657272_100015191051 [0,1,0,1,0,0|2,0,0]=4 12444 B10R1.15 CNC(=O)N1CCOCC1 273464a_100102657272_100015191051 [0,1,0,1,0,0|2,0,0]=4 12445 B10R1.15 CNC(=O)N1CCSCC1 2708a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 12446 B10R1.15 CNC(=O)N1CCSCC1 273464a_100102657272_100000737611 [0,1,0,1,0,0|2,0,0]=4 12447 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,1,0,1,0,0|1,0,1]=4 12448 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,1,0,1,0,0|1,0,1]=4 12449 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,1,0,1,0,0|1,0,1]=4 12450 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,1,0,1,0,0|1,0,1]=4 12451 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 12452 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 12453 B10R1.15 COC(C)C1CCCNC1 34a_100000740858_200000210301 [0,1,0,1,0,0|1,0,1]=4 12454 B10R1.15 COC(C)C1CCNCC1 34a_100011728446_200000210301 [0,1,0,1,0,0|1,0,1]=4 12455 B10R1.15 CO[C@H](C)C1CCOCC1 34a_100000703848_200000210301 [0,1,0,1,0,0|1,0,1]=4 12456 B10R1.15 CO[C@H](C)C1CCOCC1 7a_100000703848_200000210301 [0,1,0,1,0,0|1,0,1]=4 12457 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 34a_100000703848_200025704644 [0,1,0,1,0,0|1,0,1]=4 12458 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 7a_100000703848_200025704644 [0,1,0,1,0,0|1,0,1]=4 12459 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|2,0,0]=4 12460 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|2,0,0]=4 12461 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|2,0,0]=4 12462 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,1,0,0|2,0,0]=4 12463 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,1,0,0|2,0,0]=4 12464 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|2,0,0]=4 12465 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|2,0,0]=4 12466 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|2,0,0]=4 12467 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,1,0,0|1,0,1]=4 12468 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,1,0,0|1,0,1]=4 12469 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,1,0,0|1,0,1]=4 12470 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,1,0,0|1,0,1]=4 12471 B10R1.99 C#CCN1CC1C(=O)OC 2230a_200009830135_100000038162 [0,1,0,1,0,0|0,0,2]=4 12472 B10R1.99 C=CCN1CC1C(=O)OC 2230a_200009830135_100000210623 [0,1,0,1,0,0|0,0,2]=4 12473 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|0,0,0]=2 12474 B10R1.99 COC(=O)C1CN1CC#N 2230a_200009830135_100011215382 [0,1,0,1,0,0|1,0,1]=4 12475 B10R1.99 COC(=O)C1CN1CC=O 2230a_200009830135_200015260668 [0,1,0,1,0,0|1,0,1]=4 12476 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,1,0,1,0,0|1,0,0]=3 12477 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|1,0,0]=3 12478 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,1,0,1,0,0|1,0,0]=3 12479 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [0,1,0,1,0,0|1,0,0]=3 12480 B10R1.169 CCC(=O)C1CC(C1)CO 1458a_206645079618_100000210202 [0,1,0,1,0,0|2,0,0]=4 12481 B10R1.169 CCC(=O)C1CC(C1)OC 1458a_100011999411_100000210202 [0,1,0,1,0,0|2,0,0]=4 12482 B10R1.169 CCC(=O)N1CC(C1)CC 11a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 12483 B10R1.169 CCC(=O)N1CC(C1)CC 1626a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 12484 B10R1.169 CCC(=O)N1CC(C1)CC 240690a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 12485 B10R1.169 CCC(=O)N1CC(C1)CC 527a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 12486 B10R1.169 CCC1CN(C1)C(=O)NC 2708a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 12487 B10R1.169 CCC1CN(C1)C(=O)NC 273464a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 12488 B10R1.169 CCN1CC(C1)C(=O)NC 34a_100000703363_100000210202 [0,1,0,1,0,0|2,0,0]=4 12489 B10R1.169 CCN1CC(C1)C(=O)OC 269982a_100015188540_100000204670 [0,1,0,1,0,0|1,0,0]=3 12490 B10R1.169 CNC(=O)C1CC(C1)CO 1626a_100102657272_206645079618 [0,1,0,1,0,0|2,0,0]=4 12491 B10R1.169 CNC(=O)C1CC(C1)OC 11a_106832991635_100011999411 [0,1,0,1,0,0|2,0,0]=4 12492 B10R1.169 CNC(=O)C1CC(C1)OC 1626a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 12493 B10R1.169 CNC(=O)C1CC(C1)OC 240690a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 12494 B10R1.169 CNC(=O)C1CC(C1)OC 527a_100102657272_100011999411 [0,1,0,1,0,0|2,0,0]=4 12495 B10R1.169 CNC1CC(C1)C(=O)OC 34a_100102657272_100009897219 [0,1,0,1,0,0|1,0,0]=3 12496 B10R1.169 CNC1CC(C1)C(=O)OC 7a_106832991635_100009897219 [0,1,0,1,0,0|1,0,0]=3 12497 B10R1.169 COC(=O)C1CC(C1)OC 34a_100138415774_100009897219 [0,1,0,1,0,0|1,0,0]=3 12498 B10R1.169 COC(=O)C1CC(C1)OC 7a_100000076263_200000210301 [0,1,0,1,0,0|1,0,0]=3 12499 B10R1.169 COC(=O)C1CC(C1)O[13CH3] 7a_100000076263_200025704644 [0,1,0,1,0,0|1,0,0]=3 12500 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|1,0,0]=3 12501 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|1,0,0]=3 12502 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|1,0,0]=3 12503 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|1,0,0]=3 12504 B10R1.169 COC(=O)C1CN(C1)CF 269982a_100015188540_100015361967 [0,1,0,1,0,0|2,0,0]=4 12505 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [0,1,0,1,0,0|1,0,1]=4 12506 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [0,1,0,1,0,0|1,0,1]=4 12507 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 12508 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 12509 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 12510 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 12511 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [0,1,0,1,0,0|1,0,1]=4 12512 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [0,1,0,1,0,0|1,0,1]=4 12513 B10R1.182 CCC(=O)C(C)N1CCC1 269982a_100000754969_100000742827 [0,1,0,1,0,0|2,0,0]=4 12514 B10R1.182 CCC(=O)N(C)C1CCC1 11a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 12515 B10R1.182 CCC(=O)N(C)C1CCC1 1626a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 12516 B10R1.182 CCC(=O)N(C)C1CCC1 240690a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 12517 B10R1.182 CCC(=O)N(C)C1CCC1 527a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 12518 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|1,0,1]=4 12519 B10R1.182 CNC(=O)C(C)N1CCC1 269982a_100000754969_100000209862 [0,1,0,1,0,0|2,0,0]=4 12520 B10R1.182 CNC(=O)C(F)N1CCC1 269982a_100000754969_100009813575 [0,1,0,1,0,0|2,0,0]=4 12521 B10R1.182 CNC(=O)N(C)C1CCC1 2708a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 12522 B10R1.182 CNC(=O)N(C)C1CCC1 273464a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 12523 B10R1.182 COC(=O)C(=O)N1CCC1 11a_100000754969_100000024059 [0,1,0,1,0,0|1,0,1]=4 12524 B10R1.182 COC(=O)C(=O)N1CCC1 240690a_100000754969_100000024059 [0,1,0,1,0,0|1,0,1]=4 12525 B10R1.182 COC(=O)C(=O)N1CCC1 527a_100000754969_100000024059 [0,1,0,1,0,0|1,0,1]=4 12526 B10R1.182 COC(=O)C(C)N1CCC1 269982a_100000754969_100000211248 [0,1,0,1,0,0|1,0,0]=3 12527 B10R1.184 CCC(=O)C(C)SC1CC1 62a_100000742827_100000211595 [0,1,0,1,0,0|2,0,0]=4 12528 B10R1.184 CCC(=O)N(C)CC1CC1 11a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 12529 B10R1.184 CCC(=O)N(C)CC1CC1 1626a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 12530 B10R1.184 CCC(=O)N(C)CC1CC1 240690a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 12531 B10R1.184 CCC(=O)N(C)CC1CC1 527a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 12532 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|1,0,1]=4 12533 B10R1.184 CNC(=O)C(C)NC1CC1 34a_100000212008_100000731044 [0,1,0,1,0,0|2,0,0]=4 12534 B10R1.184 CNC(=O)C(C)SC1CC1 62a_100000209862_100000211595 [0,1,0,1,0,0|2,0,0]=4 12535 B10R1.184 CNC(=O)C(F)NC1CC1 34a_100000212008_100009813575 [0,1,0,1,0,0|2,0,0]=4 12536 B10R1.184 CNC(=O)C(F)SC1CC1 62a_100009813575_100000211595 [0,1,0,1,0,0|2,0,0]=4 12537 B10R1.184 CNC(=O)N(C)CC1CC1 2708a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 12538 B10R1.184 CNC(=O)N(C)CC1CC1 273464a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 12539 B10R1.184 CNC(=O)[C@@H](C)NC1CC1 34a_100000684985_100000211595 [0,1,0,1,0,0|2,0,0]=4 12540 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|1,0,1]=4 12541 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|1,0,1]=4 12542 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|1,0,1]=4 12543 B10R1.184 COC(=O)C(C)NC1CC1 34a_100000212008_100000211248 [0,1,0,1,0,0|1,0,0]=3 12544 B10R1.184 COC(=O)C(C)OC1CC1 34a_100011215400_100000211595 [0,1,0,1,0,0|1,0,0]=3 12545 B10R1.184 COC(=O)C(C)SC1CC1 62a_100000211248_100000211595 [0,1,0,1,0,0|1,0,0]=3 12546 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 12547 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 12548 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 12549 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 12550 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 12551 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 12552 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 12553 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 12554 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 12555 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 12556 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 12557 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 12558 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,1,0,0|2,0,0]=4 12559 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|1,0,0]=3 12560 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|1,0,0]=3 12561 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,1,0,0|2,0,0]=4 12562 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,1,0,0|1,0,0]=3 12563 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 12564 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 12565 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,1,0,0|1,0,0]=3 12566 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,1,0,0|1,0,0]=3 12567 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,1,0,0|1,0,0]=3 12568 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,1,0,1,0,0|2,0,0]=4 12569 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 12570 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 12571 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,1,0,1,0,0|2,0,0]=4 12572 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,1,0,0|2,0,0]=4 12573 B10R1.6 CC(C)(O[13CH3])C1CCCC1 34a_100000745555_200025704644 [0,1,0,1,0,0|1,0,1]=4 12574 B10R1.6 CC(C)(O[13CH3])C1CCCC1 7a_100000745555_200025704644 [0,1,0,1,0,0|1,0,1]=4 12575 B10R1.6 CNS(=O)(=O)C1CCCC1 270084a_100102657272_100000748936 [0,1,0,1,0,0|2,0,0]=4 12576 B10R1.6 CNS(=O)(=O)C1CCCC1 274078a_100102657272_100000748936 [0,1,0,1,0,0|2,0,0]=4 12577 B10R1.6 COC(C)(C)C1CCCC1 34a_100000745555_200000210301 [0,1,0,1,0,0|1,0,1]=4 12578 B10R1.6 COC(C)(C)C1CCCC1 7a_100000745555_200000210301 [0,1,0,1,0,0|1,0,1]=4 12579 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|1,0,1]=4 12580 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|1,0,1]=4 12581 B10R1.232 CC1(CCCNCC1)O[13CH3] 34a_100000723723_200025704644 [0,1,0,1,0,0|1,0,1]=4 12582 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|1,0,1]=4 12583 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|1,0,1]=4 12584 B10R1.232 COC1(CCCNCC1)C 34a_100000723723_200000210301 [0,1,0,1,0,0|1,0,1]=4 12585 B10R1.3 CCC1CCC(CC1)OC 34a_100011215326_200000210301 [0,1,0,1,0,0|1,0,1]=4 12586 B10R1.3 CCC1CCC(CC1)OC 7a_100011215326_200000210301 [0,1,0,1,0,0|1,0,1]=4 12587 B10R1.3 CCC1CCC(CC1)O[13CH3] 34a_100011215326_200025704644 [0,1,0,1,0,0|1,0,1]=4 12588 B10R1.3 CCC1CCC(CC1)O[13CH3] 7a_100011215326_200025704644 [0,1,0,1,0,0|1,0,1]=4 12589 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,1,0,1,0,0|1,0,1]=4 12590 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,1,0,1,0,0|1,0,1]=4 12591 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|1,0,0]=3 12592 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [0,1,0,1,0,0|2,0,0]=4 12593 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [0,1,0,1,0,0|2,0,0]=4 12594 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|1,0,0]=3 12595 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [0,1,0,1,0,0|2,0,0]=4 12596 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 12597 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 12598 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 12599 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|1,0,0]=3 12600 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 12601 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 12602 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 12603 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,1,0,1,0,0|2,0,0]=4 12604 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 12605 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 12606 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 12607 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,1,0,1,0,0|2,0,0]=4 12608 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,1,0,1,0,0|2,0,0]=4 12609 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,1,0,1,0,0|1,0,0]=3 12610 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,1,0,0|1,0,0]=3 12611 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,1,0,0|1,0,0]=3 12612 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,1,0,0|1,0,0]=3 12613 B10R1.151 CNC(=O)CNC1COC1 2230a_100016991112_100000183359 [0,1,0,1,0,0|2,0,0]=4 12614 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,1,0,0|1,0,0]=3 12615 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,1,0,0|1,0,0]=3 12616 B10R1.151 CNC(=O)COC1COC1 34a_100000750040_100009818527 [0,1,0,1,0,0|2,0,0]=4 12617 B10R1.151 CNC(=O)COC1CSC1 7a_100000072292_100000183359 [0,1,0,1,0,0|2,0,0]=4 12618 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,1,0,0|1,0,0]=3 12619 B10R1.151 CNC(=O)CSC1COC1 62a_100000183359_100009818527 [0,1,0,1,0,0|2,0,0]=4 12620 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|1,0,0]=3 12621 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|1,0,0]=3 12622 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|1,0,0]=3 12623 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|1,0,0]=3 12624 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|1,0,0]=3 12625 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|1,0,0]=3 12626 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,1,0,1,0,0|2,0,0]=4 12627 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,1,0,1,0,0|2,0,0]=4 12628 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,1,0,1,0,0|2,0,0]=4 12629 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,1,0,1,0,0|2,0,0]=4 12630 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,1,0,1,0,0|2,0,0]=4 12631 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,1,0,1,0,0|2,0,0]=4 12632 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100020831831_106832991635 [0,1,0,1,0,0|2,0,0]=4 12633 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100102657272_100020831831 [0,1,0,1,0,0|2,0,0]=4 12634 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100102657272 [0,1,0,1,0,0|2,0,0]=4 12635 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100102657272_100020831831 [0,1,0,1,0,0|2,0,0]=4 12636 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_100020831831_100102657272 [0,1,0,1,0,0|2,0,0]=4 12637 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_106832991638_100020831831 [0,1,0,1,0,0|2,0,0]=4 12638 B10R1.151 CNC(=O)NNC1CCC1 273464a_100102657272_100000736358 [0,1,0,1,0,0|2,0,0]=4 12639 B10R1.151 CNC(=O)NNC1CCC1 512a_100000736358_100102657272 [0,1,0,1,0,0|2,0,0]=4 12640 B10R1.151 CNC(=O)NNC1CCC1 512a_106832991638_100000736358 [0,1,0,1,0,0|2,0,0]=4 12641 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|0,0,0]=2 12642 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|0,0,0]=2 12643 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|0,0,0]=2 12644 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,1,0,1,0,0|1,0,0]=3 12645 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|0,0,0]=2 12646 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|1,0,0]=3 12647 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|0,0,0]=2 12648 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,1,0,1,0,0|1,0,0]=3 12649 B10R1.151 COC(C)COC1CCC1 34a_100000690652_100000749161 [0,1,0,1,0,0|1,0,1]=4 12650 B10R1.151 COC(C)SCC1CCC1 62a_100000763275_100009879195 [0,1,0,1,0,0|1,0,1]=4 12651 B10R1.151 COC(C)SCC1CCC1 62a_100009879195_100000763275 [0,1,0,1,0,0|1,0,1]=4 12652 B10R1.151 CO[C@H](C)CNC1CCC1 270004a_100020591295_100000241760 [0,1,0,1,0,0|1,0,1]=4 12653 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 12654 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 12655 B10R1.152 CCC(=O)COC1(CC1)C 7a_100011725673_100000747405 [0,1,0,1,0,0|2,0,0]=4 12656 B10R1.152 CCC(=O)NCC1(CC1)C 11a_100000766693_100000210414 [0,1,0,1,0,0|2,0,0]=4 12657 B10R1.152 CCC(=O)NCC1(CC1)C 1626a_100000766693_100000210414 [0,1,0,1,0,0|2,0,0]=4 12658 B10R1.152 CCC(=O)NCC1(CC1)C 240690a_100000766693_100000210414 [0,1,0,1,0,0|2,0,0]=4 12659 B10R1.152 CCC(=O)NCC1(CC1)C 527a_100000766693_100000210414 [0,1,0,1,0,0|2,0,0]=4 12660 B10R1.152 CCC(=O)NCC1(CC1)O 11a_100011936951_100000210414 [0,1,0,1,0,0|2,0,0]=4 12661 B10R1.152 CCC(=O)NCC1(CC1)O 240690a_100011936951_100000210414 [0,1,0,1,0,0|2,0,0]=4 12662 B10R1.152 CCC(=O)NCC1(CC1)O 527a_100011936951_100000210414 [0,1,0,1,0,0|2,0,0]=4 12663 B10R1.152 CNC(=O)CNC1(CC1)C 2230a_100000757604_100000183359 [0,1,0,1,0,0|2,0,0]=4 12664 B10R1.152 CNC(=O)COC1(CC1)C 7a_100011725673_100000183359 [0,1,0,1,0,0|2,0,0]=4 12665 B10R1.152 CNC(=O)NCC1(CC1)C 2708a_100000766693_106832991635 [0,1,0,1,0,0|2,0,0]=4 12666 B10R1.152 CNC(=O)NCC1(CC1)C 2708a_100102657272_100000766693 [0,1,0,1,0,0|2,0,0]=4 12667 B10R1.152 CNC(=O)NCC1(CC1)C 273464a_100000766693_100102657272 [0,1,0,1,0,0|2,0,0]=4 12668 B10R1.152 CNC(=O)NCC1(CC1)C 273464a_100102657272_100000766693 [0,1,0,1,0,0|2,0,0]=4 12669 B10R1.152 CNC(=O)NCC1(CC1)C 512a_100000766693_100102657272 [0,1,0,1,0,0|2,0,0]=4 12670 B10R1.152 CNC(=O)NCC1(CC1)C 512a_106832991638_100000766693 [0,1,0,1,0,0|2,0,0]=4 12671 B10R1.152 CNC(=O)NCC1(CC1)O 2708a_100011936951_106832991635 [0,1,0,1,0,0|2,0,0]=4 12672 B10R1.152 CNC(=O)NCC1(CC1)O 2708a_100102657272_100011936951 [0,1,0,1,0,0|2,0,0]=4 12673 B10R1.152 CNC(=O)NCC1(CC1)O 273464a_100102657272_100011936951 [0,1,0,1,0,0|2,0,0]=4 12674 B10R1.152 CNC(=O)NCC1(CC1)O 512a_100011936951_100102657272 [0,1,0,1,0,0|2,0,0]=4 12675 B10R1.152 CNC(=O)NCC1(CC1)O 512a_106832991638_100011936951 [0,1,0,1,0,0|2,0,0]=4 12676 B10R1.152 COC(=O)CNC1(CC1)C 2230a_100000757604_100000747449 [0,1,0,1,0,0|1,0,0]=3 12677 B10R1.152 COC(=O)COC1(CC1)C 7a_100011725673_100000747449 [0,1,0,1,0,0|1,0,0]=3 12678 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210414 [0,1,0,1,0,0|2,0,0]=4 12679 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210414 [0,1,0,1,0,0|2,0,0]=4 12680 B10R1.412 CCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210414 [0,1,0,1,0,0|2,0,0]=4 12681 B10R1.412 CNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100102657272_206633788156 [0,1,0,1,0,0|2,0,0]=4 12682 B10R1.412 CNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100102657272_206633788156 [0,1,0,1,0,0|2,0,0]=4 12683 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|1,0,0]=3 12684 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,1,0,1,0,0|2,0,0]=4 12685 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,1,0,1,0,0|2,0,0]=4 12686 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,1,0,1,0,0|2,0,0]=4 12687 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,1,0,1,0,0|1,0,0]=3 12688 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,1,0,1,0,0|1,0,0]=3 12689 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|0,0,0]=2 12690 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|0,0,0]=2 12691 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 34a_100012184276_200025704644 [0,1,0,1,0,0|2,0,0]=4 12692 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 7a_100012184276_200025704644 [0,1,0,1,0,0|2,0,0]=4 12693 B10R1.473 COC1(CCC(=O)CC1)C 34a_100012184276_200000210301 [0,1,0,1,0,0|2,0,0]=4 12694 B10R1.473 COC1(CCC(=O)CC1)C 7a_100012184276_200000210301 [0,1,0,1,0,0|2,0,0]=4 12695 B10R1.473 CO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_200000210301 [0,1,0,1,0,0|1,0,1]=4 12696 B10R1.473 C[C@@]1(CC[C@@H](CC1)N)O[13CH3] 34a_202125554758_200025704644 [0,1,0,1,0,0|1,0,1]=4 12697 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,1,0,0|1,0,1]=4 12698 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,1,0,0|1,0,1]=4 12699 B10R1.27 C#CC(=O)CC1CCOC1 1458a_100000211873_100000702531 [0,1,0,1,0,0|1,0,1]=4 12700 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|1,0,1]=4 12701 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|1,0,1]=4 12702 B10R1.27 C=CC(=O)CC1CCOC1 1458a_100000185746_100000702531 [0,1,0,1,0,0|1,0,1]=4 12703 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,1,0,0|1,0,1]=4 12704 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,1,0,0|1,0,1]=4 12705 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,1,0,0|1,0,1]=4 12706 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,1,0,0|1,0,1]=4 12707 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,1,0,1,0,0|1,0,1]=4 12708 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,1,0,1,0,0|1,0,1]=4 12709 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|1,0,0]=3 12710 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|1,0,0]=3 12711 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|1,0,0]=3 12712 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|1,0,0]=3 12713 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|1,0,0]=3 12714 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,1,0,1,0,0|2,0,0]=4 12715 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|1,0,0]=3 12716 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|1,0,0]=3 12717 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,1,0,1,0,0|2,0,0]=4 12718 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 12719 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 12720 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 12721 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|1,0,0]=3 12722 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,1,0,1,0,0|2,0,0]=4 12723 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,1,0,1,0,0|2,0,0]=4 12724 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 12725 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 12726 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 12727 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,1,0,1,0,0|2,0,0]=4 12728 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,1,0,1,0,0|1,0,1]=4 12729 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,1,0,1,0,0|1,0,1]=4 12730 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,1,0,1,0,0|1,0,1]=4 12731 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,1,0,1,0,0|1,0,1]=4 12732 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,1,0,0|1,0,1]=4 12733 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,1,0,0|1,0,1]=4 12734 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,1,0,0|1,0,1]=4 12735 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,1,0,0|1,0,1]=4 12736 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [0,1,0,1,0,0|1,0,1]=4 12737 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [0,1,0,1,0,0|1,0,1]=4 12738 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [0,1,0,1,0,0|1,0,1]=4 12739 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [0,1,0,1,0,0|1,0,1]=4 12740 B10R1.27 CNC(=O)CC1CC=CC1 11a_106832991635_200000137526 [0,1,0,1,0,0|1,0,1]=4 12741 B10R1.27 CNC(=O)CC1CC=CC1 1626a_100102657272_200000137526 [0,1,0,1,0,0|1,0,1]=4 12742 B10R1.27 CNC(=O)CC1CC=CC1 240690a_100102657272_200000137526 [0,1,0,1,0,0|1,0,1]=4 12743 B10R1.27 CNC(=O)CC1CC=CC1 527a_100102657272_200000137526 [0,1,0,1,0,0|1,0,1]=4 12744 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|1,0,0]=3 12745 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 12746 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 12747 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 12748 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,1,0,1,0,0|1,0,0]=3 12749 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 12750 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 12751 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,1,0,1,0,0|1,0,0]=3 12752 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,1,0,1,0,0|1,0,0]=3 12753 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,1,0,1,0,0|1,0,0]=3 12754 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,1,0,1,0,0|1,0,0]=3 12755 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,1,0,1,0,0|1,0,0]=3 12756 B10R1.27 CNC(=O)CN1CCSC1 2230a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 12757 B10R1.27 CNC(=O)CN1CCSC1 269982a_100011215254_100000183359 [0,1,0,1,0,0|2,0,0]=4 12758 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|1,0,0]=3 12759 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|1,0,0]=3 12760 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|1,0,0]=3 12761 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|1,0,0]=3 12762 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|1,0,0]=3 12763 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|1,0,0]=3 12764 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_100102657272_200015188469 [0,1,0,1,0,0|2,0,0]=4 12765 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_200015188469_106832991635 [0,1,0,1,0,0|2,0,0]=4 12766 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_100102657272_200015188469 [0,1,0,1,0,0|2,0,0]=4 12767 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100102657272 [0,1,0,1,0,0|2,0,0]=4 12768 B10R1.27 CNC(=O)N[C@@H]1CCOC1 512a_106832991638_200015188469 [0,1,0,1,0,0|2,0,0]=4 12769 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100015188467_106832991635 [0,1,0,1,0,0|2,0,0]=4 12770 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100102657272_100015188467 [0,1,0,1,0,0|2,0,0]=4 12771 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100015188467_100102657272 [0,1,0,1,0,0|2,0,0]=4 12772 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100102657272_100015188467 [0,1,0,1,0,0|2,0,0]=4 12773 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_100015188467_100102657272 [0,1,0,1,0,0|2,0,0]=4 12774 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_106832991638_100015188467 [0,1,0,1,0,0|2,0,0]=4 12775 B10R1.27 COC(=O)CN1CC=CC1 269982a_100015195280_100000747449 [0,1,0,1,0,0|0,0,2]=4 12776 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|0,0,0]=2 12777 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|0,0,0]=2 12778 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,1,0,0|1,0,0]=3 12779 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,1,0,0|1,0,0]=3 12780 B10R1.27 COC(C)SC1CCCC1 62a_100009879195_100000179811 [0,1,0,1,0,0|1,0,1]=4 12781 B10R1.27 COC(C)SC1CCCC1 62a_100011217020_100009879195 [0,1,0,1,0,0|1,0,1]=4 12782 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|2,0,0]=4 12783 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,1,0,1,0,0|2,0,0]=4 12784 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,1,0,1,0,0|2,0,0]=4 12785 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|2,0,0]=4 12786 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|2,0,0]=4 12787 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|2,0,0]=4 12788 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|2,0,0]=4 12789 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|2,0,0]=4 12790 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 12791 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 12792 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|2,0,0]=4 12793 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|2,0,0]=4 12794 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [0,1,0,1,0,0|1,0,1]=4 12795 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [0,1,0,1,0,0|1,0,1]=4 12796 B10R1.134 CCC(=O)CN(C)C1CC1 269982a_100000226674_100000747405 [0,1,0,1,0,0|2,0,0]=4 12797 B10R1.134 CCC(=O)NC(C)C1CC1 11a_100000700016_100000210414 [0,1,0,1,0,0|2,0,0]=4 12798 B10R1.134 CCC(=O)NC(C)C1CC1 1626a_100000700016_100000210414 [0,1,0,1,0,0|2,0,0]=4 12799 B10R1.134 CCC(=O)NC(C)C1CC1 240690a_100000700016_100000210414 [0,1,0,1,0,0|2,0,0]=4 12800 B10R1.134 CCC(=O)NC(C)C1CC1 527a_100000700016_100000210414 [0,1,0,1,0,0|2,0,0]=4 12801 B10R1.134 CNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183359 [0,1,0,1,0,0|1,0,1]=4 12802 B10R1.134 CNC(=O)CN(C)C1CC1 2230a_100000226674_100000183359 [0,1,0,1,0,0|2,0,0]=4 12803 B10R1.134 CNC(=O)CN(C)C1CC1 269982a_100000226674_100000183359 [0,1,0,1,0,0|2,0,0]=4 12804 B10R1.134 CNC(=O)NC(C)C1CC1 2708a_100000700016_106832991635 [0,1,0,1,0,0|2,0,0]=4 12805 B10R1.134 CNC(=O)NC(C)C1CC1 2708a_100102657272_100000700016 [0,1,0,1,0,0|2,0,0]=4 12806 B10R1.134 CNC(=O)NC(C)C1CC1 273464a_100000700016_100102657272 [0,1,0,1,0,0|2,0,0]=4 12807 B10R1.134 CNC(=O)NC(C)C1CC1 273464a_100102657272_100000700016 [0,1,0,1,0,0|2,0,0]=4 12808 B10R1.134 CNC(=O)NC(C)C1CC1 512a_100000700016_100102657272 [0,1,0,1,0,0|2,0,0]=4 12809 B10R1.134 CNC(=O)NC(C)C1CC1 512a_106832991638_100000700016 [0,1,0,1,0,0|2,0,0]=4 12810 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [0,1,0,1,0,0|0,0,1]=3 12811 B10R1.134 COC(=O)CC(=O)C1CO1 1458a_100000701028_100000747449 [0,1,0,1,0,0|1,0,1]=4 12812 B10R1.134 COC(=O)CN(C)C1CC1 2230a_100000226674_100000747449 [0,1,0,1,0,0|1,0,0]=3 12813 B10R1.134 COC(=O)CN(C)C1CC1 269982a_100000226674_100000747449 [0,1,0,1,0,0|1,0,0]=3 12814 B10R1.149 C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200121576911 [0,1,0,1,0,0|1,0,1]=4 12815 B10R1.149 C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_200121576911 [0,1,0,1,0,0|1,0,1]=4 12816 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|2,0,0]=4 12817 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|1,0,1]=4 12818 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|1,0,0]=3 12819 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|1,0,0]=3 12820 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|1,0,0]=3 12821 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|1,0,0]=3 12822 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|1,0,0]=3 12823 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|1,0,0]=3 12824 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 12825 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 12826 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 12827 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [0,1,0,1,0,0|2,0,0]=4 12828 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|1,0,0]=3 12829 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,1,0,1,0,0|2,0,0]=4 12830 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|1,0,0]=3 12831 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 12832 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 12833 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 12834 B10R1.149 CNC(=O)C1CSCN1C 240690a_100102657272_100020666735 [0,1,0,1,0,0|2,0,0]=4 12835 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|1,0,0]=3 12836 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|1,0,0]=3 12837 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|1,0,0]=3 12838 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|1,0,0]=3 12839 B10R1.149 CNC(=O)N1CCSC1C 2708a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 12840 B10R1.149 CNC(=O)N1CCSC1C 273464a_100102657272_200011216479 [0,1,0,1,0,0|2,0,0]=4 12841 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,1,0,0|1,0,0]=3 12842 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 12843 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,1,0,0|1,0,0]=3 12844 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 12845 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,1,0,0|1,0,0]=3 12846 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,1,0,0|1,0,0]=3 12847 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 12848 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 12849 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,1,0,0|1,0,0]=3 12850 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,1,0,1,0,0|1,0,0]=3 12851 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,1,0,1,0,0|1,0,0]=3 12852 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,1,0,0|1,0,0]=3 12853 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,1,0,0|1,0,0]=3 12854 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,1,0,0|1,0,0]=3 12855 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,1,0,0|1,0,0]=3 12856 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|0,0,0]=2 12857 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|0,0,0]=2 12858 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|0,0,0]=2 12859 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|0,0,0]=2 12860 B10R1.149 COC(C)N1CCC[C@@H]1C 269982a_100020605311_100009879195 [0,1,0,1,0,0|1,0,1]=4 12861 B10R1.149 COC(C)N1CCC[C@H]1C 269982a_100015189458_100009879195 [0,1,0,1,0,0|1,0,1]=4 12862 B10R1.149 CO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_200000210301 [0,1,0,1,0,0|1,0,1]=4 12863 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 12864 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|2,0,0]=4 12865 B10R1.149 C[C@H](O[13CH3])[C@@H]1CCCN1C 34a_100160487421_200025704644 [0,1,0,1,0,0|1,0,1]=4 12866 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 12867 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|2,0,0]=4 12868 B10R1.429 C#CC(=O)CC1(CCC1)C 1458a_100000211873_100000726658 [0,1,0,1,0,0|1,0,1]=4 12869 B10R1.429 C=CC(=O)CC1(CCC1)C 1458a_100000185746_100000726658 [0,1,0,1,0,0|1,0,1]=4 12870 B10R1.429 CC1(CCC1)CC(=O)CO 1458a_100000210174_100000726658 [0,1,0,1,0,0|2,0,0]=4 12871 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [0,1,0,1,0,0|1,0,0]=3 12872 B10R1.429 CCC(=O)CC1(COC1)C 1458a_100000210414_100000066812 [0,1,0,1,0,0|2,0,0]=4 12873 B10R1.429 CCC(=O)NC1(CCC1)C 11a_100000692455_100000210414 [0,1,0,1,0,0|2,0,0]=4 12874 B10R1.429 CCC(=O)NC1(CCC1)C 1626a_100000692455_100000210414 [0,1,0,1,0,0|2,0,0]=4 12875 B10R1.429 CCC(=O)NC1(CCC1)C 240690a_100000692455_100000210414 [0,1,0,1,0,0|2,0,0]=4 12876 B10R1.429 CCC(=O)NC1(CCC1)C 527a_100000692455_100000210414 [0,1,0,1,0,0|2,0,0]=4 12877 B10R1.429 CNC(=O)NC1(CCC1)C 2708a_100102657272_100000692455 [0,1,0,1,0,0|2,0,0]=4 12878 B10R1.429 CNC(=O)NC1(CCC1)C 273464a_100000692455_100102657272 [0,1,0,1,0,0|2,0,0]=4 12879 B10R1.429 CNC(=O)NC1(CCC1)C 273464a_100102657272_100000692455 [0,1,0,1,0,0|2,0,0]=4 12880 B10R1.429 CNC(=O)NC1(CCC1)C 512a_100000692455_100102657272 [0,1,0,1,0,0|2,0,0]=4 12881 B10R1.429 CNC(=O)NC1(CCC1)C 512a_106832991638_100000692455 [0,1,0,1,0,0|2,0,0]=4 12882 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,1,0,1,0,0|2,0,0]=4 12883 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,1,0,1,0,0|2,0,0]=4 12884 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,1,0,1,0,0|2,0,0]=4 12885 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [0,1,0,1,0,0|2,0,0]=4 12886 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [0,1,0,1,0,0|2,0,0]=4 12887 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [0,1,0,1,0,0|2,0,0]=4 12888 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 12889 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 12890 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 12891 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [0,1,0,1,0,0|2,0,0]=4 12892 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [0,1,0,1,0,0|2,0,0]=4 12893 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,1,0,0|1,0,0]=3 12894 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,1,0,0|1,0,0]=3 12895 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|1,0,0]=3 12896 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|1,0,0]=3 12897 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,1,0,0|1,0,0]=3 12898 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,1,0,1,0,0|2,0,0]=4 12899 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|1,0,0]=3 12900 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,1,0,1,0,0|2,0,0]=4 12901 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,1,0,1,0,0|2,0,0]=4 12902 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,1,0,1,0,0|2,0,0]=4 12903 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,1,0,1,0,0|2,0,0]=4 12904 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|1,0,0]=3 12905 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,1,0,1,0,0|1,0,1]=4 12906 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,1,0,1,0,0|1,0,1]=4 12907 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,1,0,1,0,0|2,0,0]=4 12908 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,1,0,1,0,0|2,0,0]=4 12909 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,1,0,1,0,0|2,0,0]=4 12910 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,1,0,1,0,0|1,0,1]=4 12911 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,1,0,1,0,0|1,0,1]=4 12912 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|1,0,0]=3 12913 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|1,0,0]=3 12914 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|1,0,0]=3 12915 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|1,0,0]=3 12916 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|1,0,0]=3 12917 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|1,0,0]=3 12918 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|1,0,0]=3 12919 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|1,0,0]=3 12920 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|2,0,0]=4 12921 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,1,0,0|2,0,0]=4 12922 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,1,0,0|2,0,0]=4 12923 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,1,0,0|2,0,0]=4 12924 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|1,0,0]=3 12925 B10R1.16 CCNN=C1COC(=O)C1 4a_100000756455_100000211896 [0,1,0,1,0,0|1,0,1]=4 12926 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,1,0,1,0,0|0,0,2]=4 12927 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,1,0,0|2,0,0]=4 12928 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|1,0,0]=3 12929 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|2,0,0]=4 12930 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|2,0,0]=4 12931 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|1,0,0]=3 12932 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|1,0,0]=3 12933 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,1,0,0|0,0,2]=4 12934 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,1,0,0|0,0,2]=4 12935 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|2,0,0]=4 12936 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|2,0,0]=4 12937 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|1,0,0]=3 12938 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|1,0,0]=3 12939 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|2,0,0]=4 12940 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|2,0,0]=4 12941 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|1,0,0]=3 12942 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|1,0,0]=3 12943 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,1,0,0|2,0,0]=4 12944 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,1,0,1,0,0|2,0,0]=4 12945 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,1,0,1,0,0|2,0,0]=4 12946 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,1,0,1,0,0|2,0,0]=4 12947 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,1,0,1,0,0|2,0,0]=4 12948 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,1,0,1,0,0|2,0,0]=4 12949 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,1,0,1,0,0|2,0,0]=4 12950 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|2,0,0]=4 12951 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,1,0,1,0,0|2,0,0]=4 12952 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,1,0,1,0,0|2,0,0]=4 12953 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,1,0,1,0,0|2,0,0]=4 12954 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,1,0,1,0,0|2,0,0]=4 12955 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,1,0,1,0,0|2,0,0]=4 12956 B10R1.16 O=C1CC(CN1)NCCF 2230a_100000697751_100011217306 [0,1,0,1,0,0|2,0,0]=4 12957 B10R1.16 O=C1CC(CN1)NCCO 2230a_100000697751_100000211926 [0,1,0,1,0,0|2,0,0]=4 12958 B10R1.16 O=C1CC(CN1)OCCF 34a_100000690082_100011217306 [0,1,0,1,0,0|2,0,0]=4 12959 B10R1.16 O=C1CC(CN1)OCCO 34a_100000690082_100000211926 [0,1,0,1,0,0|2,0,0]=4 12960 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,1,0,0|2,0,0]=4 12961 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|2,0,0]=4 12962 B10R1.16 O=C1CN(CN1)CCCF 2230a_200000708111_100011934791 [0,1,0,1,0,0|2,0,0]=4 12963 B10R1.16 O=C1CN(CN1)CCCO 2230a_200000708111_100000230001 [0,1,0,1,0,0|2,0,0]=4 12964 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,1,0,1,0,0|2,0,0]=4 12965 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,1,0,1,0,0|2,0,0]=4 12966 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,1,0,0|2,0,0]=4 12967 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,1,0,0|2,0,0]=4 12968 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,1,0,1,0,0|2,0,0]=4 12969 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,1,0,1,0,0|2,0,0]=4 12970 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 12971 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,1,0,1,0,0|2,0,0]=4 12972 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 12973 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,1,0,1,0,0|2,0,0]=4 12974 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|1,0,0]=3 12975 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 12976 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|1,0,0]=3 12977 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|1,0,0]=3 12978 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|1,0,0]=3 12979 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|1,0,0]=3 12980 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,1,0,0|2,0,0]=4 12981 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,1,0,0|2,0,0]=4 12982 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|1,0,0]=3 12983 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|1,0,0]=3 12984 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|2,0,0]=4 12985 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|2,0,0]=4 12986 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|2,0,0]=4 12987 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 12988 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|2,0,0]=4 12989 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|2,0,0]=4 12990 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|2,0,0]=4 12991 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|2,0,0]=4 12992 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,1,0,0|2,0,0]=4 12993 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,1,0,0|2,0,0]=4 12994 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,1,0,0|2,0,0]=4 12995 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,1,0,0|2,0,0]=4 12996 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,1,0,0|2,0,0]=4 12997 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,1,0,0|2,0,0]=4 12998 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,1,0,0|2,0,0]=4 12999 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,1,0,0|2,0,0]=4 13000 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|2,0,0]=4 13001 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|2,0,0]=4 13002 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|1,0,1]=4 13003 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|1,0,1]=4 13004 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|1,0,1]=4 13005 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|1,0,1]=4 13006 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|1,0,1]=4 13007 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|1,0,1]=4 13008 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|1,0,1]=4 13009 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|1,0,1]=4 13010 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|1,0,1]=4 13011 B10R1.70 CCCCOCC1(CO1)C 34a_100000210227_100000760498 [0,1,0,1,0,0|1,0,1]=4 13012 B10R1.70 CCCCSCC1(CO1)C 62a_100000210211_100000760498 [0,1,0,1,0,0|1,0,1]=4 13013 B10R1.70 CCCCSCC1(CO1)C 62a_100000760498_100000210210 [0,1,0,1,0,0|1,0,1]=4 13014 B10R1.143 CCCCN1CC(C1)OC 269982a_100000755009_100000210211 [0,1,0,1,0,0|1,0,1]=4 13015 B10R1.143 CCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210303 [0,1,0,1,0,0|1,0,1]=4 13016 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|1,0,1]=4 13017 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|1,0,1]=4 13018 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|1,0,1]=4 13019 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|1,0,1]=4 13020 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|1,0,1]=4 13021 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|1,0,1]=4 13022 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|1,0,1]=4 13023 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|1,0,1]=4 13024 B10R1.172 CCN1CCCC(C1)OC 2230a_100000695604_100000210202 [0,1,0,1,0,0|1,0,1]=4 13025 B10R1.172 CCN1CCCC(C1)OC 269982a_100000695604_100000204670 [0,1,0,1,0,0|1,0,1]=4 13026 B10R1.172 CCN1CCCC(C1)OC 34a_100000695604_100000210202 [0,1,0,1,0,0|1,0,1]=4 13027 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [0,1,0,1,0,0|1,0,1]=4 13028 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [0,1,0,1,0,0|1,0,1]=4 13029 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|0,0,0]=2 13030 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|0,0,0]=2 13031 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [0,1,0,1,0,0|1,0,0]=3 13032 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|1,0,0]=3 13033 B10R1.23 C=C(C)C(=O)C1CCOC1 1458a_100000185857_100000690089 [0,1,0,1,0,0|2,0,0]=4 13034 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|1,0,0]=3 13035 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|1,0,0]=3 13036 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,1,0,1,0,0|2,0,0]=4 13037 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,1,0,1,0,0|2,0,0]=4 13038 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,1,0,1,0,0|2,0,0]=4 13039 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,1,0,1,0,0|2,0,0]=4 13040 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,1,0,1,0,0|2,0,0]=4 13041 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,1,0,1,0,0|2,0,0]=4 13042 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|1,0,0]=3 13043 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,1,0,1,0,0|2,0,0]=4 13044 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,1,0,1,0,0|2,0,0]=4 13045 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,1,0,1,0,0|2,0,0]=4 13046 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 13047 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 13048 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 13049 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,1,0,1,0,0|1,0,0]=3 13050 B10R1.23 CN(C)C(=O)C1CCCS1 11a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 13051 B10R1.23 CN(C)C(=O)C1CCCS1 1626a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 13052 B10R1.23 CN(C)C(=O)C1CCCS1 240690a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 13053 B10R1.23 CN(C)C(=O)C1CCCS1 527a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 13054 B10R1.23 CN(C)C(=O)C1CCOC1 11a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 13055 B10R1.23 CN(C)C(=O)C1CCOC1 1626a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 13056 B10R1.23 CN(C)C(=O)C1CCOC1 240690a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 13057 B10R1.23 CN(C)C(=O)C1CCOC1 527a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 13058 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 11a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 13059 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 1626a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 13060 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 240690a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 13061 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 527a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 13062 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|1,0,0]=3 13063 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|2,0,0]=4 13064 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,1,0,0|2,0,0]=4 13065 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|1,0,0]=3 13066 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|2,0,0]=4 13067 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,1,0,0|2,0,0]=4 13068 B10R1.23 O=C(C(O)O)C1CCCC1 1458a_100000233687_100000179811 [0,1,0,1,0,0|2,0,0]=4 13069 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,1,0,1,0,0|2,0,0]=4 13070 B10R1.116 CC(C)C(=O)N1CCC1C 11a_100000755817_100000210198 [0,1,0,1,0,0|2,0,0]=4 13071 B10R1.116 CC(C)C(=O)N1CCC1C 240690a_100000755817_100000210198 [0,1,0,1,0,0|2,0,0]=4 13072 B10R1.116 CC(C)C(=O)N1CCC1C 527a_100000755817_100000210198 [0,1,0,1,0,0|2,0,0]=4 13073 B10R1.116 CC(F)C(=O)N1CCC1C 11a_100000755817_100000062450 [0,1,0,1,0,0|2,0,0]=4 13074 B10R1.116 CC(F)C(=O)N1CCC1C 240690a_100000755817_100000062450 [0,1,0,1,0,0|2,0,0]=4 13075 B10R1.116 CC(F)C(=O)N1CCC1C 527a_100000755817_100000062450 [0,1,0,1,0,0|2,0,0]=4 13076 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,1,0,1,0,0|2,0,0]=4 13077 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,1,0,1,0,0|2,0,0]=4 13078 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|1,0,0]=3 13079 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 13080 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 13081 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 13082 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,1,0,1,0,0|1,0,0]=3 13083 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|1,0,0]=3 13084 B10R1.204 C=C(C)C(=O)CC1CCO1 1458a_100000185857_100000103362 [0,1,0,1,0,0|2,0,0]=4 13085 B10R1.204 C=C(C)C(=O)CC1COC1 1458a_100000185857_100010264016 [0,1,0,1,0,0|2,0,0]=4 13086 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,1,0,1,0,0|2,0,0]=4 13087 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,1,0,1,0,0|2,0,0]=4 13088 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|2,0,0]=4 13089 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|1,0,0]=3 13090 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|1,0,0]=3 13091 B10R1.204 CC(C)C(=O)CC1CCO1 1458a_100000210198_100000103362 [0,1,0,1,0,0|2,0,0]=4 13092 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,1,0,1,0,0|2,0,0]=4 13093 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,1,0,1,0,0|2,0,0]=4 13094 B10R1.204 CC(C)C(=O)CN1CCC1 269982a_100000754969_100000753385 [0,1,0,1,0,0|2,0,0]=4 13095 B10R1.204 CC(C)C(=O)NC1CCC1 11a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 13096 B10R1.204 CC(C)C(=O)NC1CCC1 1626a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 13097 B10R1.204 CC(C)C(=O)NC1CCC1 240690a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 13098 B10R1.204 CC(C)C(=O)NC1CCC1 527a_100000749019_100000210198 [0,1,0,1,0,0|2,0,0]=4 13099 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|1,0,0]=3 13100 B10R1.204 CC(F)C(=O)CC1CCO1 1458a_100000062450_100000103362 [0,1,0,1,0,0|2,0,0]=4 13101 B10R1.204 CC(F)C(=O)CC1COC1 1458a_100000062450_100010264016 [0,1,0,1,0,0|2,0,0]=4 13102 B10R1.204 CC(F)C(=O)NC1CCC1 11a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 13103 B10R1.204 CC(F)C(=O)NC1CCC1 1626a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 13104 B10R1.204 CC(F)C(=O)NC1CCC1 240690a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 13105 B10R1.204 CC(F)C(=O)NC1CCC1 527a_100000749019_100000062450 [0,1,0,1,0,0|2,0,0]=4 13106 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 13107 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 13108 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 13109 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,1,0,1,0,0|1,0,0]=3 13110 B10R1.204 CN(C)C(=O)CC1COC1 11a_100102631434_100000687760 [0,1,0,1,0,0|2,0,0]=4 13111 B10R1.204 CN(C)C(=O)CC1COC1 1626a_100102631434_100000687760 [0,1,0,1,0,0|2,0,0]=4 13112 B10R1.204 CN(C)C(=O)CN1CCC1 269982a_100000754969_100000185267 [0,1,0,1,0,0|2,0,0]=4 13113 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|1,0,0]=3 13114 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,1,0,1,0,0|2,0,0]=4 13115 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|2,0,0]=4 13116 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,1,0,1,0,0|2,0,0]=4 13117 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|1,0,0]=3 13118 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,1,0,1,0,0|2,0,0]=4 13119 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|2,0,0]=4 13120 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,1,0,1,0,0|2,0,0]=4 13121 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,1,0,1,0,0|2,0,0]=4 13122 B10R1.204 O=C(CC1CCC1)C(O)O 1458a_100000233687_100000763275 [0,1,0,1,0,0|2,0,0]=4 13123 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|1,0,0]=3 13124 B10R1.205 C=C(C)C(=O)CCC1CO1 1458a_100000185857_100000732470 [0,1,0,1,0,0|2,0,0]=4 13125 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,1,0,1,0,0|2,0,0]=4 13126 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,1,0,1,0,0|2,0,0]=4 13127 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|2,0,0]=4 13128 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|2,0,0]=4 13129 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|1,0,0]=3 13130 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|1,0,0]=3 13131 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,1,0,1,0,0|2,0,0]=4 13132 B10R1.205 CC(C)C(=O)CNC1CC1 34a_100000212008_100000753385 [0,1,0,1,0,0|2,0,0]=4 13133 B10R1.205 CC(C)C(=O)CSC1CC1 62a_100000753385_100000211595 [0,1,0,1,0,0|2,0,0]=4 13134 B10R1.205 CC(C)C(=O)NCC1CC1 11a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 13135 B10R1.205 CC(C)C(=O)NCC1CC1 1626a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 13136 B10R1.205 CC(C)C(=O)NCC1CC1 240690a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 13137 B10R1.205 CC(C)C(=O)NCC1CC1 527a_100000735609_100000210198 [0,1,0,1,0,0|2,0,0]=4 13138 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|1,0,0]=3 13139 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,1,0,1,0,0|2,0,0]=4 13140 B10R1.205 CC(F)C(=O)NCC1CC1 11a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 13141 B10R1.205 CC(F)C(=O)NCC1CC1 1626a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 13142 B10R1.205 CC(F)C(=O)NCC1CC1 240690a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 13143 B10R1.205 CC(F)C(=O)NCC1CC1 527a_100000735609_100000062450 [0,1,0,1,0,0|2,0,0]=4 13144 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 13145 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 13146 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 13147 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,1,0,1,0,0|1,0,0]=3 13148 B10R1.205 CN(C)C(=O)CNC1CC1 34a_100000212008_100000692301 [0,1,0,1,0,0|2,0,0]=4 13149 B10R1.205 CN(C)C(=O)CSC1CC1 62a_100000692301_100000211595 [0,1,0,1,0,0|2,0,0]=4 13150 B10R1.205 CN(C)C(=O)NCC1CC1 2708a_100000735609_100102631434 [0,1,0,1,0,0|2,0,0]=4 13151 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|1,0,0]=3 13152 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|2,0,0]=4 13153 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,1,0,1,0,0|2,0,0]=4 13154 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|1,0,0]=3 13155 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|2,0,0]=4 13156 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,1,0,1,0,0|2,0,0]=4 13157 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,1,0,1,0,0|2,0,0]=4 13158 B10R1.205 O=C(CCC1CC1)C(O)O 1458a_100000233687_100000694398 [0,1,0,1,0,0|2,0,0]=4 13159 B10R1.487 C#CC1(CCCCC1)OC 34a_100011215672_200000210301 [0,1,0,1,0,0|1,0,1]=4 13160 B10R1.487 C#CC1(CCCCC1)OC 7a_100011215672_200000210301 [0,1,0,1,0,0|1,0,1]=4 13161 B10R1.487 C#CC1(CCCCC1)O[13CH3] 34a_100011215672_200025704644 [0,1,0,1,0,0|1,0,1]=4 13162 B10R1.487 C#CC1(CCCCC1)O[13CH3] 7a_100011215672_200025704644 [0,1,0,1,0,0|1,0,1]=4 13163 B10R1.487 C=CC1(CCCCC1)OC 34a_200011934219_200000210301 [0,1,0,1,0,0|1,0,1]=4 13164 B10R1.487 C=CC1(CCCCC1)OC 7a_200011934219_200000210301 [0,1,0,1,0,0|1,0,1]=4 13165 B10R1.487 C=CC1(CCCCC1)O[13CH3] 34a_200011934219_200025704644 [0,1,0,1,0,0|1,0,1]=4 13166 B10R1.487 C=CC1(CCCCC1)O[13CH3] 7a_200011934219_200025704644 [0,1,0,1,0,0|1,0,1]=4 13167 B10R1.487 CCC1(CCCCC1)OC 34a_100011216009_200000210301 [0,1,0,1,0,0|1,0,1]=4 13168 B10R1.487 CCC1(CCCCC1)OC 7a_100011216009_200000210301 [0,1,0,1,0,0|1,0,1]=4 13169 B10R1.487 CCC1(CCCCC1)O[13CH3] 34a_100011216009_200025704644 [0,1,0,1,0,0|1,0,1]=4 13170 B10R1.487 CCC1(CCCCC1)O[13CH3] 7a_100011216009_200025704644 [0,1,0,1,0,0|1,0,1]=4 13171 B10R1.487 COC1(CCCCC1)CN 34a_100000748649_200000210301 [0,1,0,1,0,0|1,0,1]=4 13172 B10R1.487 [13CH3]OC1(CCCCC1)CN 34a_100000748649_200025704644 [0,1,0,1,0,0|1,0,1]=4 13173 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [0,0,0,2,0,0|1,0,1]=4 13174 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [0,0,0,2,0,0|1,0,1]=4 13175 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [0,0,0,2,0,0|1,0,1]=4 13176 B10R2.324 O=C1CCC1N2CCC2 269982a_100000754969_100009892977 [0,0,0,2,0,0|2,0,0]=4 13177 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,2,0,0|2,0,0]=4 13178 B10R2.27 O=C1CCC1SC2CC2 62a_100009892977_100000211595 [0,0,0,2,0,0|2,0,0]=4