0 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.48 C#CCC(=O)CC[S+](C)C 1458a_100009452791_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.48 C#CCC(=O)CSC(C)C 1458a_100000241585_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,0,0,0,0,0|1,0,3]=4 9 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,0,0,0,0,0|1,0,3]=4 10 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,0,0,0,0,0|1,0,2]=3 32 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,0,0,0,0,0|1,0,2]=3 33 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,0,0,0,0,0|1,0,2]=3 44 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,0,0,0,0,0|1,0,2]=3 45 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,0,0,0,0,0|1,0,2]=3 46 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [0,0,0,0,0,0|1,0,3]=4 47 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,0,0,0,0,0|1,0,1]=2 48 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.48 CC#CC(=O)NNC(C)C 22a_100000741168_100000763181 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,0,0,0,0,0|2,0,1]=3 57 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,0,0,0,0,0|2,0,1]=3 58 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,0,0,0,0,0|2,0,1]=3 59 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,0,0,0,0,0|2,0,1]=3 60 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,0,0|2,0,0]=2 63 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,0,0,0,0,0|2,0,1]=3 64 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.48 CC(C)CCC(C)SCF 62a_100011261404_100015361967 [0,0,0,0,0,0|2,1,1]=4 66 B9R0.48 CC(C)CCC(C)SCF 62a_100015361967_100011261404 [0,0,0,0,0,0|2,1,1]=4 67 B9R0.48 CC(C)CCN(C)CCF 2230a_100000742789_100011217306 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.48 CC(C)CCN(C)CCF 269982a_100000742789_100011217306 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.48 CC(C)CNC(=O)C=CBr 1626a_100000210953_100016273825 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.48 CC(C)CNC(=O)C=CBr 240690a_100000210953_100016273825 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.48 CC(C)CNC(=O)C=CCl 11a_100000210953_200016279998 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.48 CC(C)CNC(=O)C=CCl 1626a_100000210953_200016279998 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.48 CC(C)CNC(=O)C=CCl 240690a_100000210953_200016279998 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.48 CC(C)CNC(=O)C=CI 1626a_100000210953_100016256311 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,0,0,0,0,0|3,0,0]=3 85 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,0,0,0,0,0|3,0,0]=3 86 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,0,0,0,0,0|3,0,0]=3 90 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.48 CC(C)SCC(=O)CC#N 1458a_100000241585_100011214920 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,0,0,0,0,0|3,0,0]=3 93 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,0,0,0,0,0|3,0,0]=3 94 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,0,0,0,0,0|3,0,0]=3 95 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,0,0,0,0,0|3,0,0]=3 96 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,0,0,0,0,0|1,0,3]=4 103 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,0,0,0,0,0|1,0,1]=2 104 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,0,0,0,0,0|2,0,1]=3 105 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,0,0,0,0,0|2,0,1]=3 106 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,0,0,0,0,0|2,0,1]=3 107 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,0,0,0,0,0|2,0,1]=3 108 B9R0.48 CC=CC(=O)NCC(C)O 11a_100000210904_100000210699 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.48 CC=CC(=O)NCC(C)O 240690a_100000210904_100000210699 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.48 CC=CC(=O)NNC(C)C 22a_100000741168_100000210699 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.48 CCCC(=NNC(C)C)C 4a_100000741168_100000211909 [0,0,0,0,0,0|4,0,0]=4 112 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,0,0,0,0,0|1,0,2]=3 113 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,0,0|1,0,0]=1 117 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,0,0|1,0,0]=1 118 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,0,0|2,0,0]=2 119 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,0,0,0,0,0|4,0,0]=4 120 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,0,0|2,0,0]=2 121 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,0,0|2,0,0]=2 123 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,0,0|2,0,0]=2 125 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,0,0,0,0,0|4,0,0]=4 126 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,0,0|2,0,0]=2 128 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,0,0|2,0,0]=2 129 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,0,0|2,0,0]=2 130 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,0,0,0,0,0|4,0,0]=4 131 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,0,0|2,0,0]=2 132 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,0,0|2,0,0]=2 133 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,0,0|2,0,0]=2 134 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,0,0|2,0,0]=2 135 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,0,0|3,0,0]=3 136 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,0,0|3,0,0]=3 137 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,0,0|3,0,0]=3 138 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,0,0,0,0,0|4,0,0]=4 139 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,0,0,0,0,0|4,0,0]=4 140 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,0,0,0,0,0|4,0,0]=4 141 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,0,0,0,0,0|4,0,0]=4 142 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,0,0,0,0,0|3,0,0]=3 145 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,0,0,0,0,0|3,0,0]=3 146 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,0,0,0,0,0|3,0,1]=4 148 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,0,0,0,0,0|3,0,1]=4 160 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,0,0,0,0,0|3,0,1]=4 161 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,0,0,0,0,0|3,0,1]=4 163 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,0,0,0,0,0|3,0,0]=3 165 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,0,0,0,0,0|3,0,0]=3 166 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,0,0,0,0,0|3,0,0]=3 167 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,0,0,0,0,0|4,0,0]=4 168 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,0,0,0,0,0|4,0,0]=4 169 B9R0.48 CCCN(C)CCN(C)C 2230a_100000226821_200000210301 [0,0,0,0,0,0|4,0,0]=4 170 B9R0.48 CCCN(C)CCN(C)C 269982a_100000225618_100000210303 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.48 CCCN(C)CCN(C)C 269982a_100000226821_200000210301 [0,0,0,0,0,0|4,0,0]=4 172 B9R0.48 CCCN(C)CCN(C)C 269982a_100000747261_100000755713 [0,0,0,0,0,0|4,0,0]=4 173 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [0,0,0,0,0,0|4,0,0]=4 174 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [0,0,0,0,0,0|4,0,0]=4 175 B9R0.48 CCCN([13CH3])CCN(C)C 2230a_100000226821_200025704644 [0,0,0,0,0,0|4,0,0]=4 176 B9R0.48 CCCN([13CH3])CCN(C)C 269982a_100000226821_200025704644 [0,0,0,0,0,0|4,0,0]=4 177 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,0,0,0,0,0|1,0,2]=3 179 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,0,0,0,0,0|1,0,2]=3 180 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,0|1,0,2]=3 181 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,0|1,0,2]=3 182 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,0|1,0,2]=3 183 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,0|2,0,1]=3 184 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,0|2,0,1]=3 187 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,0,0,0,0,0|1,0,0]=1 188 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,0,0,0,0,0|1,0,0]=1 189 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,0,0,0,0,0|1,0,0]=1 190 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,0,0,0,0,0|2,0,0]=2 191 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,0,0,0,0,0|2,0,0]=2 192 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,0,0,0,0,0|2,0,0]=2 193 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,0,0,0,0,0|2,0,0]=2 194 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,0,0,0,0,0|2,0,0]=2 195 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,0,0,0,0,0|4,0,0]=4 196 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,0,0,0,0,0|4,0,0]=4 197 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,0,0,0,0,0|2,0,0]=2 199 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,0|3,0,1]=4 200 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,0|3,0,1]=4 201 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,0|3,0,1]=4 202 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,0|3,0,1]=4 204 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,0|3,0,1]=4 205 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,0,0,0,0|2,0,0]=2 207 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,0,0,0,0|2,0,0]=2 208 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,0,0,0,0|2,0,0]=2 209 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,0|3,0,1]=4 211 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,0,0,0,0,0|2,0,0]=2 212 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,0,0,0,0,0|2,0,0]=2 213 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,0,0,0,0,0|2,0,0]=2 214 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,0,0,0,0,0|2,0,0]=2 215 B9R0.48 CCNC(=O)COC(F)F 11a_100015525214_200000719455 [0,0,0,0,0,0|4,0,0]=4 216 B9R0.48 CCNC(=O)COC(F)F 240690a_100015525214_200000719455 [0,0,0,0,0,0|4,0,0]=4 217 B9R0.48 CCNC(=O)COC(F)F 527a_100015525214_200000719455 [0,0,0,0,0,0|4,0,0]=4 218 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,0|3,0,1]=4 219 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,0|3,0,1]=4 220 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,0,0,0,0,0|2,0,0]=2 221 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,0,0,0,0,0|2,0,0]=2 222 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,0,0,0,0,0|2,0,0]=2 223 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,0,0,0,0,0|2,0,0]=2 224 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,0,0,0,0,0|2,0,0]=2 225 B9R0.48 CCNC(=O)CSC(F)F 11a_100015525214_114828291038 [0,0,0,0,0,0|4,0,0]=4 226 B9R0.48 CCNC(=O)CSC(F)F 240690a_100015525214_114828291038 [0,0,0,0,0,0|4,0,0]=4 227 B9R0.48 CCNC(=O)CSC(F)F 527a_100015525214_114828291038 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,0,0,0,0,0|2,0,0]=2 229 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,0,0,0,0,0|2,0,0]=2 230 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,0,0,0,0,0|2,0,0]=2 231 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,0,0,0,0,0|2,0,0]=2 232 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,0,0,0,0,0|2,0,0]=2 233 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,0,0,0,0,0|2,0,0]=2 234 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,0,0,0,0,0|3,0,0]=3 235 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,0,0,0,0,0|3,0,0]=3 236 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,0,0,0,0,0|3,0,0]=3 237 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,0,0,0,0,0|3,0,0]=3 238 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,0,0,0,0,0|3,0,0]=3 239 B9R0.48 CCNC(=O)NCC(F)F 2708a_100015525214_100000765723 [0,0,0,0,0,0|4,0,0]=4 240 B9R0.48 CCNC(=O)NCC(F)F 273464a_100000765723_100015525214 [0,0,0,0,0,0|4,0,0]=4 241 B9R0.48 CCNC(=O)NCC(F)F 273464a_100015525214_100000765723 [0,0,0,0,0,0|4,0,0]=4 242 B9R0.48 CCNC(=O)NCC(F)F 512a_100000765723_100015525214 [0,0,0,0,0,0|4,0,0]=4 243 B9R0.48 CCNC(=O)NCC(F)F 512a_100015525214_100000765723 [0,0,0,0,0,0|4,0,0]=4 244 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,0,0,0,0,0|3,0,0]=3 245 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,0,0,0,0,0|3,0,0]=3 246 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,0,0,0,0,0|3,0,0]=3 247 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,0,0,0,0,0|2,0,1]=3 248 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,0,0,0,0,0|2,0,1]=3 249 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,0,0,0,0,0|2,0,1]=3 250 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,0|1,0,3]=4 251 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,0|1,0,3]=4 252 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,0|1,0,1]=2 253 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,0|1,0,1]=2 254 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,0,0|1,0,0]=1 255 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,0,0|1,0,0]=1 256 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,0,0|1,0,0]=1 257 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,0,0|1,0,0]=1 258 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,0,0|1,0,0]=1 259 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,0,0|1,0,0]=1 260 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,0|2,0,1]=3 261 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,0,0|1,0,0]=1 262 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,0,0|1,0,0]=1 263 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,0,0|1,0,0]=1 264 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,0,0|1,0,0]=1 265 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,0,0|1,0,0]=1 266 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,0|2,0,1]=3 267 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,0|2,0,1]=3 268 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,0,0,0,0|1,0,1]=2 269 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,0,0,0,0|1,0,1]=2 270 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,0,0,0,0|1,0,1]=2 271 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,0,0,0,0,0|1,1,1]=3 272 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,0,0,0,0,0|1,1,1]=3 273 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,0,0,0,0,0|3,0,0]=3 274 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,0,0,0,0,0|3,0,0]=3 275 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,0,0,0,0,0|3,0,0]=3 276 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [0,0,0,0,0,0|2,0,2]=4 277 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,0,0,0,0,0|2,0,2]=4 278 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,0,0,0,0,0|2,0,0]=2 279 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,0,0,0,0,0|3,0,0]=3 280 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,0,0,0,0,0|3,0,0]=3 281 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,0,0,0,0,0|3,0,0]=3 282 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,0,0,0,0,0|3,0,0]=3 283 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,0,0,0,0,0|3,0,0]=3 284 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,0,0,0,0,0|3,0,0]=3 285 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,0,0,0,0,0|3,0,0]=3 286 B9R0.48 CNNC(=O)NCC(C)O 273464a_100000210904_100016993582 [0,0,0,0,0,0|4,0,0]=4 287 B9R0.48 CNNC(=O)NCC(C)O 512a_100000210904_100016993582 [0,0,0,0,0,0|4,0,0]=4 288 B9R0.48 CNNC(=O)NCC(C)O 512a_100016993582_100000210904 [0,0,0,0,0,0|4,0,0]=4 289 B9R0.48 CNNC(=O)NNC(C)C 512a_100000741168_100016993582 [0,0,0,0,0,0|4,0,0]=4 290 B9R0.48 CNNC(=O)NNC(C)C 512a_100016993582_100000741168 [0,0,0,0,0,0|4,0,0]=4 291 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,0,0,0,0,0|2,0,2]=4 292 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,0,0,0,0,0|2,0,0]=2 293 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,0,0,0,0,0|3,0,0]=3 294 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,0,0,0,0,0|3,0,0]=3 295 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,0,0,0,0,0|3,0,0]=3 296 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,0,0,0,0,0|3,0,0]=3 297 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,0,0,0,0,0|3,0,0]=3 298 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,0,0,0,0,0|3,0,0]=3 299 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,0,0,0,0,0|4,0,0]=4 300 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,0,0,0,0,0|4,0,0]=4 301 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,0,0,0,0,0|4,0,0]=4 302 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,0,0,0,0,0|4,0,0]=4 303 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,0,0,0,0,0|4,0,0]=4 304 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,0,0,0,0,0|4,0,0]=4 305 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,0,0,0,0,0|2,0,2]=4 306 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,0,0,0,0,0|2,0,0]=2 307 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,0,0,0,0,0|3,0,0]=3 308 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,0,0,0,0,0|3,0,0]=3 309 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,0,0,0,0,0|3,0,0]=3 310 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,0,0,0,0,0|3,0,0]=3 311 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,0,0,0,0,0|3,0,0]=3 312 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,0,0,0,0,0|3,0,0]=3 313 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,0,0,0,0,0|3,0,0]=3 314 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,0,0,0,0,0|4,0,0]=4 315 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,0,0,0,0,0|4,0,0]=4 316 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,0,0,0,0,0|4,0,0]=4 317 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,0,0,0,0,0|4,0,0]=4 318 B9R0.48 CSCN(C)CCC(C)C 2230a_100000742789_100011218213 [0,0,0,0,0,0|4,0,0]=4 319 B9R0.48 CSCN(C)CCC(C)C 269982a_100000742789_100011218213 [0,0,0,0,0,0|4,0,0]=4 320 B9R0.48 C[S+](C)CCC(=O)CC#N 1458a_100009452791_100011214920 [0,0,0,0,0,0|3,0,1]=4 321 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,0,0,0,0,0|3,0,0]=3 322 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,0,0,0,0,0|3,0,0]=3 323 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,0,0,0,0,0|1,0,2]=4 324 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,0,0,0,0,0|1,0,2]=4 325 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,0,0,0,0|1,0,2]=4 326 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,0,0,0,0|1,0,2]=4 327 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 328 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 329 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 330 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|1,0,2]=4 331 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,0,0,0,0,0|1,0,2]=4 332 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,0,0,0,0,0|1,0,2]=4 333 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|1,0,2]=4 334 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|1,0,2]=4 335 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 336 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 337 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 338 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,0,0,0,0,0|1,0,2]=4 339 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,0,0,0,0,0|1,0,2]=4 340 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,0,0,0,0,0|1,0,2]=4 341 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,0,0,0,0,0|1,0,2]=4 342 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|1,0,1]=3 343 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,0,0,0,0,0|2,0,1]=4 344 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,0,0,0,0,0|2,0,1]=4 345 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,0,0,0,0,0|2,0,1]=4 346 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,0,0,0,0|1,0,2]=4 348 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|1,0,1]=3 349 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|1,0,2]=4 357 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|1,0,2]=4 358 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 359 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 360 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 361 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,0,0,0,0,0|1,0,2]=4 362 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,0,0,0,0|1,0,2]=4 363 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 364 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 365 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,0,0,0,0|2,0,1]=4 366 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|2,0,0]=3 372 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|2,0,0]=3 373 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|2,0,0]=3 374 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|2,0,0]=3 375 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|2,0,0]=3 376 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|2,0,0]=3 377 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|2,0,0]=3 378 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,0,0,0,0|3,0,0]=4 379 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,0,0,0,0|3,0,0]=4 380 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 381 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 383 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 384 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 385 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 386 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,0,0,0,0,0|3,0,0]=4 388 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,0,0,0,0,0|3,0,0]=4 389 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,0,0,0,0,0|3,0,0]=4 390 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,0,0,0,0,0|3,0,0]=4 391 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,0,0,0,0,0|3,0,0]=4 392 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,0,0,0,0,0|2,0,1]=4 395 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|1,0,0]=2 398 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|1,0,0]=2 399 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|2,0,0]=3 400 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|2,0,0]=3 401 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|2,0,0]=3 402 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|2,0,0]=3 403 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|2,0,0]=3 404 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 405 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 406 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 407 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,0]=3 408 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,0,0,0,0,0|2,0,1]=4 409 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,0,0,0,0,0|2,0,1]=4 410 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,0,0,0,0,0|2,0,1]=4 411 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,0,0,0,0|1,0,1]=3 412 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,0,0,0,0|1,0,1]=3 413 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,0,0,0,0|1,0,1]=3 414 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,0,0,0,0,0|2,0,1]=4 415 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,0,0,0,0,0|2,0,1]=4 416 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,0,0,0,0,0|1,1,1]=4 417 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,0,0,0,0,0|1,1,1]=4 418 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,0,0,0,0,0|3,0,0]=4 419 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,0,0,0,0,0|3,0,0]=4 421 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,0,0,0,0,0|3,0,0]=4 422 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,0,0,0,0,0|3,0,0]=4 423 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,0,0,0,0,0|3,0,0]=4 424 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,0,0,0,0,0|3,0,0]=4 425 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 427 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 428 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 429 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 430 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,0,0,0,0,0|3,0,0]=4 431 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,0,0,0,0,0|3,0,0]=4 432 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,0,0,0,0,0|3,0,0]=4 433 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,0,0,0,0,0|3,0,0]=4 434 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,0,0,0,0,0|3,0,0]=4 435 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,0,0,0,0,0|3,0,0]=4 436 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 437 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 438 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 439 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,0,0,0,0,0|3,0,0]=4 440 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 441 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 442 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 443 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 444 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 445 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,0,0,0,0,0|3,0,0]=4 446 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,0,0,0,0,0|3,0,0]=4 447 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,0,0,0,0,0|3,0,0]=4 449 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 450 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 451 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 452 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 454 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 455 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 469 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 470 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,0]=3 471 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 472 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,0]=3 473 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 474 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 475 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 476 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 477 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 478 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 479 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,0]=3 480 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,0]=3 481 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,0]=3 482 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,0]=3 483 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 484 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 485 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,0]=3 486 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 487 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 488 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 489 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 490 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,0]=3 491 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,0]=3 492 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,0,0,0,0,0|3,0,0]=4 500 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,0]=3 503 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,0]=3 504 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|1,0,0]=2 506 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,0,0,0,0,0|3,0,0]=4 508 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 509 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 510 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|1,0,0]=2 511 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 512 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|1,0,0]=2 513 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|1,0,0]=2 514 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|1,0,0]=2 515 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|1,0,0]=2 516 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|1,0,0]=2 517 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|1,0,0]=2 518 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|1,0,0]=2 519 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,0,0,0,0,0|2,0,0]=3 520 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,0,0,0,0,0|2,0,0]=3 521 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|2,0,0]=3 522 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|2,0,0]=3 523 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 524 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,0,0,0,0,0|3,0,0]=4 526 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,0,0,0,0|3,0,0]=4 527 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,0,0,0,0,0|3,0,0]=4 528 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,0,0,0,0,0|3,0,0]=4 529 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|1,0,0]=2 530 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 531 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 532 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,0,0,0,0,0|3,0,0]=4 533 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,0,0,0,0,0|3,0,0]=4 534 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,0,0,0,0,0|3,0,0]=4 535 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,0,0,0,0,0|3,0,0]=4 536 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,0,0,0,0,0|3,0,0]=4 537 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,0,0,0,0,0|3,0,0]=4 538 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,0,0,0,0,0|3,0,0]=4 540 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,0,0,0,0,0|3,0,0]=4 541 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,0,0,0,0,0|3,0,0]=4 542 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,0,0,0,0,0|3,0,0]=4 543 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,0,0,0,0,0|3,0,0]=4 544 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,0,0,0,0,0|3,0,0]=4 545 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,0,0,0,0,0|3,0,0]=4 546 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,0,0,0,0,0|3,0,0]=4 548 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,0,0,0,0,0|3,0,0]=4 549 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,0,0,0,0,0|3,0,0]=4 550 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,0,0,0,0,0|3,0,0]=4 551 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,0,0,0,0,0|3,0,0]=4 552 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,0,0,0,0,0|3,0,0]=4 553 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,0,0,0,0,0|3,0,0]=4 554 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,0,0,0,0,0|2,0,1]=4 556 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,0,0,0,0,0|2,0,1]=4 557 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,0,0,0,0,0|2,0,1]=4 558 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,0,0,0,0,0|2,0,1]=4 559 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,0,0,0,0,0|2,0,1]=4 560 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,0,0,0,0,0|1,0,1]=3 561 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,0,0,0,0,0|1,0,1]=3 562 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,0,0,0,0,0|1,1,1]=4 563 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,0,0,0,0,0|1,1,1]=4 564 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,0,0,0,0,0|3,0,0]=4 565 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,0,0,0,0,0|3,0,0]=4 566 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,0,0,0,0,0|3,0,0]=4 567 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,0,0,0,0,0|3,0,0]=4 568 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,0,0,0,0,0|3,0,0]=4 569 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,0,0,0,0,0|3,0,0]=4 570 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,0,0,0,0,0|3,0,0]=4 571 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,0,0,0,0,0|3,0,0]=4 572 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,0,0,0,0,0|3,0,0]=4 573 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,0,0,0,0,0|3,0,0]=4 574 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,0,0,0,0,0|3,0,0]=4 575 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,0,0,0,0,0|3,0,0]=4 576 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,0,0,0,0,0|3,0,0]=4 577 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,0,0,0,0,0|3,0,0]=4 578 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,0,0,0,0,0|3,0,0]=4 579 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [1,0,0,0,0,0|2,0,1]=4 580 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [1,0,0,0,0,0|2,0,1]=4 581 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [1,0,0,0,0,0|2,0,1]=4 582 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [1,0,0,0,0,0|2,0,1]=4 583 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [1,0,0,0,0,0|2,0,1]=4 584 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|2,0,1]=4 585 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,0,0,0,0,0|2,0,0]=3 586 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,0,0,0,0,0|2,0,0]=3 587 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,0,0,0,0,0|2,0,0]=3 588 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,0,0,0,0,0|2,0,0]=3 589 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,0,0,0,0,0|2,0,0]=3 590 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,0,0,0,0,0|2,0,0]=3 591 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,0,0,0,0,0|2,0,0]=3 592 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,0,0,0,0,0|2,0,0]=3 593 B8R0.7 CCC#CCNC(C)C 2230a_100138425928_100009813939 [1,0,0,0,0,0|2,0,1]=4 594 B8R0.7 CCC#CCNC(C)C 34a_100138425928_100009813939 [1,0,0,0,0,0|2,0,1]=4 595 B8R0.7 CCC#CCOC(C)C 34a_100000032950_100000210206 [1,0,0,0,0,0|2,0,1]=4 596 B8R0.7 CCC#CCOC(C)C 34a_100000212225_100009813939 [1,0,0,0,0,0|2,0,1]=4 597 B8R0.7 CCC#CCSC(C)C 62a_100000210206_100009813939 [1,0,0,0,0,0|2,0,1]=4 598 B8R0.7 CCC#CCSC(C)C 62a_100009813939_100000210206 [1,0,0,0,0,0|2,0,1]=4 599 B8R0.7 CCCC=NNC(C)C 4a_100000741168_100000185831 [1,0,0,0,0,0|3,0,0]=4 600 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|2,0,1]=4 601 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 602 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|2,0,1]=4 603 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 604 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 605 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 606 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,0,0,0,0,0|2,0,1]=4 607 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,0,0,0,0,0|2,0,1]=4 608 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,0,0,0,0,0|2,0,1]=4 609 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 610 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|2,0,1]=4 611 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 612 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,0,0,0,0,0|2,0,1]=4 613 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,0,0,0,0,0|2,0,1]=4 614 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,0,0,0,0,0|2,0,1]=4 615 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,0,0,0,0,0|2,0,1]=4 616 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,0,0,0,0,0|2,0,1]=4 617 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,0,0,0,0,0|2,0,1]=4 618 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,0,0,0,0,0|2,0,1]=4 619 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,0,0,0,0,0|2,0,1]=4 620 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,0,0,0,0,0|2,0,1]=4 621 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,0,0,0,0,0|2,0,1]=4 622 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,0,0,0,0,0|2,0,1]=4 623 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,0,0,0,0,0|2,0,1]=4 624 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,0,0,0,0,0|2,0,0]=3 625 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|3,0,0]=4 626 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,0,0,0,0,0|3,0,0]=4 627 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,0,0,0,0,0|2,0,0]=3 628 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,0,0,0,0,0|2,0,0]=3 629 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,0,0,0,0,0|2,0,0]=3 630 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|3,0,0]=4 631 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 632 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 633 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,0,0,0,0,0|3,0,0]=4 634 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,0,0,0,0,0|3,0,0]=4 635 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,0,0,0,0,0|2,0,0]=3 636 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,0,0,0,0,0|2,0,0]=3 637 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|3,0,0]=4 638 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|3,0,0]=4 639 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,0,0,0,0,0|3,0,0]=4 640 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,0,0,0,0,0|3,0,0]=4 641 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,0,0,0,0,0|3,0,0]=4 642 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,0,0,0,0,0|1,0,1]=3 643 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,0,0,0,0,0|1,0,1]=3 644 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,0,0,0,0,0|1,0,1]=3 645 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|2,0,1]=4 646 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,0,0,0,0,0|2,0,1]=4 647 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,0,0,0,0,0|2,0,1]=4 648 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,0,0,0,0,0|2,0,1]=4 649 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,0,0,0,0,0|2,0,1]=4 650 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,0,0,0,0,0|2,0,1]=4 651 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,0,0,0,0,0|2,0,1]=4 652 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [1,0,0,0,0,0|2,0,1]=4 653 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|0,0,3]=4 654 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|1,0,2]=4 655 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 656 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|1,0,2]=4 657 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 658 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,0,0,0,0,0|0,0,1]=2 659 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,0,0,0,0,0|0,0,1]=2 660 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,0,0,0,0,0|0,0,1]=2 661 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|1,0,1]=3 662 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,0,0,0,0,0|1,0,1]=3 663 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,0,0,0,0,0|1,0,1]=3 664 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,0,0,0,0,0|1,0,1]=3 665 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,0,0,0,0,0|1,0,1]=3 666 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,0,0,0,0,0|1,0,1]=3 667 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,0,0,0,0,0|1,0,1]=3 668 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,0,0,0,0,0|1,0,1]=3 669 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,0,0,0,0,0|1,0,1]=3 670 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,0,0,0,0,0|1,0,1]=3 671 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,0,0,0,0,0|1,0,1]=3 672 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,0,0,0,0,0|1,0,1]=3 673 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,0,0,0,0,0|1,0,1]=3 674 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,0,0,0,0,0|1,0,1]=3 675 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,0,0,0,0,0|1,0,1]=3 676 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,0,0,0,0,0|1,0,1]=3 677 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,0,0,0,0,0|1,0,1]=3 678 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,0,0,0,0,0|1,0,1]=3 679 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,0,0,0,0,0|1,0,1]=3 680 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,0,0,0,0,0|1,0,1]=3 681 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,0,0,0,0,0|1,0,1]=3 682 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,0,0,0,0,0|2,0,1]=4 683 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,0,0,0,0,0|2,0,1]=4 684 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,0,0,0,0,0|2,0,1]=4 685 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,0,0,0,0,0|2,0,1]=4 686 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,0,0,0,0,0|0,1,1]=3 687 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,0,0,0,0,0|0,1,1]=3 688 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|1,1,1]=4 689 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|1,1,1]=4 690 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,0,0,0,0,0|1,1,1]=4 691 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,0,0,0,0,0|1,1,1]=4 692 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,0,0,0,0,0|1,1,1]=4 693 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,0,0,0,0,0|1,1,1]=4 694 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,0,0,0,0,0|1,1,1]=4 695 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,0,0,0,0,0|1,1,1]=4 696 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,0,0,0,0,0|1,1,1]=4 697 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,0,0,0,0,0|1,1,1]=4 698 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,0,0,0,0,0|1,1,1]=4 699 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,0,0,0,0,0|1,1,1]=4 700 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,0,0,0,0,0|1,1,1]=4 701 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,0,0,0,0,0|1,1,1]=4 702 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,0,0,0,0,0|1,1,1]=4 703 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,0,0,0,0,0|2,0,1]=4 704 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,0,0,0,0,0|2,0,1]=4 705 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,0,0,0,0,0|2,0,1]=4 706 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,0,0,0,0,0|2,0,1]=4 707 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,0,0,0,0,0|2,0,1]=4 708 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,0,0,0,0,0|2,0,1]=4 709 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,0,0,0,0,0|3,0,0]=4 710 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,0,0,0,0,0|3,0,0]=4 711 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,0,0,0,0,0|2,0,1]=4 712 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,0,0,0,0,0|2,0,1]=4 713 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,0,0,0,0,0|3,0,0]=4 714 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,0,0,0,0,0|3,0,0]=4 715 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,0,0,0,0,0|3,0,0]=4 716 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,0,0,0,0,0|0,0,2]=3 717 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,0,0,0,0,0|1,0,2]=4 718 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,0,0,0,0,0|0,0,2]=3 719 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,0,0,0,0,0|0,0,2]=3 720 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [1,0,0,0,0,0|1,0,2]=4 721 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,0,0,0,0,0|1,0,2]=4 722 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,0,0,0,0,0|1,0,2]=4 723 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,0,0,0,0,0|1,0,2]=4 724 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,0,0,0,0,0|1,0,2]=4 725 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,0,0,0,0,0|1,0,2]=4 726 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,0,0,0,0,0|1,0,2]=4 727 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,0,0,0,0,0|1,0,2]=4 728 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,0,0,0,0,0|1,0,2]=4 729 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,0,0,0,0,0|1,0,2]=4 730 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,0,0,0,0,0|0,0,2]=3 731 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,0,0,0,0,0|1,0,2]=4 732 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [1,0,0,0,0,0|1,0,2]=4 733 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [1,0,0,0,0,0|1,0,2]=4 734 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [1,0,0,0,0,0|1,0,2]=4 735 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,0,0,0,0,0|1,0,2]=4 736 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [1,0,0,0,0,0|1,0,2]=4 737 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,0,0,0,0,0|1,0,0]=2 738 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,0,0,0,0,0|1,0,0]=2 739 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,0,0,0,0,0|2,0,1]=4 740 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,0,0,0,0,0|1,0,1]=3 741 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,0,0,0,0,0|1,0,1]=3 742 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,0,0,0,0,0|1,1,1]=4 743 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,0,0,0,0,0|1,1,1]=4 744 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [1,0,0,0,0,0|3,0,0]=4 745 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,0,0,0,0,0|2,0,0]=3 746 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,0,0,0,0,0|2,0,0]=3 747 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [1,0,0,0,0,0|3,0,0]=4 748 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [1,0,0,0,0,0|2,0,0]=3 749 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [1,0,0,0,0,0|2,0,0]=3 750 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,0,0,0,0,0|2,0,0]=3 751 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,0,0,0,0,0|3,0,0]=4 752 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,0,0,0,0,0|3,0,0]=4 753 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,0,0,0,0,0|0,0,2]=3 754 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,0,0,0,0|0,0,2]=3 755 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,0,0,0,0|0,0,2]=3 756 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,0,0,0,0|2,0,1]=4 757 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,0,0,0,0,0|0,0,0]=1 758 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,0,0,0,0,0|0,0,0]=1 759 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,0,0,0,0,0|1,0,0]=2 760 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [1,0,0,0,0,0|3,0,0]=4 761 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,0,0,0,0,0|1,0,0]=2 762 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,0,0,0,0,0|2,0,1]=4 763 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,0,0,0,0|2,0,1]=4 764 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,0,0,0,0,0|1,0,0]=2 765 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,0,0,0,0,0|1,0,0]=2 766 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [1,0,0,0,0,0|3,0,0]=4 767 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,0,0,0,0,0|2,0,1]=4 768 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,0,0,0,0,0|1,0,0]=2 769 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,0,0,0,0,0|1,0,0]=2 770 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,0,0,0,0,0|1,0,0]=2 771 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [1,0,0,0,0,0|3,0,0]=4 772 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,0,0,0,0,0|2,0,1]=4 773 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,0,0,0,0,0|2,0,1]=4 774 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,0,0,0,0,0|1,0,0]=2 775 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,0,0,0,0,0|1,0,0]=2 776 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,0,0,0,0,0|1,0,0]=2 777 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,0,0,0,0,0|1,0,0]=2 778 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,0,0,0,0,0|2,0,0]=3 779 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,0,0,0,0,0|2,0,0]=3 780 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,0,0,0,0,0|2,0,0]=3 781 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [1,0,0,0,0,0|3,0,0]=4 782 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [1,0,0,0,0,0|3,0,0]=4 783 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [1,0,0,0,0,0|3,0,0]=4 784 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [1,0,0,0,0,0|3,0,0]=4 785 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [1,0,0,0,0,0|2,0,0]=3 786 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [1,0,0,0,0,0|2,0,1]=4 787 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [1,0,0,0,0,0|2,0,1]=4 788 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [1,0,0,0,0,0|2,0,1]=4 789 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,0,0,0,0,0|2,0,1]=4 790 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [1,0,0,0,0,0|2,0,1]=4 791 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [1,0,0,0,0,0|2,0,1]=4 792 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [1,0,0,0,0,0|2,0,1]=4 793 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [1,0,0,0,0,0|2,0,1]=4 794 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [1,0,0,0,0,0|2,0,1]=4 795 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [1,0,0,0,0,0|2,0,1]=4 796 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,0,0,0,0,0|2,0,1]=4 797 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,0,0,0,0,0|2,0,1]=4 798 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [1,0,0,0,0,0|2,0,1]=4 799 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [1,0,0,0,0,0|2,0,1]=4 800 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [1,0,0,0,0,0|1,0,2]=4 801 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [1,0,0,0,0,0|1,0,2]=4 802 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [1,0,0,0,0,0|1,0,2]=4 803 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,0,0,0,0,0|1,0,2]=4 804 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [1,0,0,0,0,0|1,0,2]=4 805 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [1,0,0,0,0,0|1,0,2]=4 806 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,0,0,0,0,0|2,0,0]=3 807 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,0,0,0,0,0|2,0,0]=3 808 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,0,0,0,0,0|2,0,0]=3 809 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,0,0,0,0,0|2,0,0]=3 810 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,0,0,0,0,0|2,0,0]=3 811 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,0,0,0,0,0|2,0,0]=3 812 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,0,0,0,0,0|3,0,0]=4 813 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,0,0,0,0,0|3,0,0]=4 814 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [1,0,0,0,0,0|3,0,0]=4 815 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [1,0,0,0,0,0|3,0,0]=4 816 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [1,0,0,0,0,0|3,0,0]=4 817 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [1,0,0,0,0,0|3,0,0]=4 818 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [1,0,0,0,0,0|3,0,0]=4 819 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,0,0,0,0,0|2,0,0]=3 820 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,0,0,0,0,0|2,0,0]=3 821 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [1,0,0,0,0,0|3,0,0]=4 822 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,0,0,0,0,0|2,0,1]=4 823 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,0,0,0,0,0|2,0,1]=4 824 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [1,0,0,0,0,0|2,0,1]=4 825 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [1,0,0,0,0,0|2,0,1]=4 826 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,0,0,0,0,0|2,0,1]=4 827 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,0,0,0,0,0|2,0,1]=4 828 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [1,0,0,0,0,0|2,0,1]=4 829 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [1,0,0,0,0,0|2,0,1]=4 830 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [1,0,0,0,0,0|1,0,2]=4 831 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [1,0,0,0,0,0|1,0,2]=4 832 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [1,0,0,0,0,0|1,0,2]=4 833 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [1,0,0,0,0,0|1,0,2]=4 834 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [1,0,0,0,0,0|1,0,2]=4 835 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [1,0,0,0,0,0|1,0,2]=4 836 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [1,0,0,0,0,0|1,0,2]=4 837 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,0,0,0,0,0|2,0,1]=4 838 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,0,0,0,0,0|2,0,1]=4 839 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,0,0,0,0,0|1,0,0]=2 840 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,0,0,0,0,0|1,0,0]=2 841 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,0,0,0,0,0|1,0,0]=2 842 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,0,0,0,0,0|1,0,0]=2 843 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,0,0,0,0,0|2,0,0]=3 844 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,0,0,0,0,0|2,0,0]=3 845 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,0,0,0,0,0|2,0,0]=3 846 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,0,0,0,0,0|2,0,0]=3 847 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,0,0,0,0,0|2,0,0]=3 848 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,0,0,0,0,0|2,0,0]=3 849 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,0,0,0,0,0|2,0,0]=3 850 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,0,0,0,0,0|2,0,0]=3 851 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,0,0,0,0,0|2,0,0]=3 852 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,0,0,0,0,0|2,0,0]=3 853 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,0,0,0,0,0|2,0,0]=3 854 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,0,0,0,0,0|2,0,0]=3 855 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,0,0,0,0,0|2,0,0]=3 856 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,0,0,0,0,0|2,0,0]=3 857 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,0,0,0,0,0|2,0,0]=3 858 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,0,0,0,0,0|2,0,0]=3 859 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,0,0,0,0,0|2,0,0]=3 860 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,0,0,0,0,0|2,0,0]=3 861 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,0,0,0,0,0|2,0,0]=3 862 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,0,0,0,0,0|2,0,0]=3 863 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,0,0,0,0,0|2,0,0]=3 864 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,0,0,0,0,0|2,0,0]=3 865 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,0,0,0,0,0|2,0,0]=3 866 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,0,0,0,0,0|2,0,0]=3 867 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,0,0,0,0,0|2,0,0]=3 868 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,0,0,0,0,0|2,0,0]=3 869 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,0,0,0,0,0|2,0,0]=3 870 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,0,0,0,0,0|2,0,0]=3 871 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,0,0,0,0,0|2,0,0]=3 872 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,0,0,0,0,0|2,0,0]=3 873 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,0,0,0,0,0|2,0,0]=3 874 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,0,0,0,0,0|2,0,0]=3 875 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,0,0,0,0,0|2,0,0]=3 876 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,0,0,0,0,0|2,0,0]=3 877 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,0,0,0,0,0|3,0,0]=4 878 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,0,0,0,0,0|3,0,0]=4 879 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,0,0,0,0,0|3,0,0]=4 880 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,0,0,0,0,0|3,0,0]=4 881 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,0,0,0,0,0|3,0,0]=4 882 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [1,0,0,0,0,0|3,0,0]=4 883 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [1,0,0,0,0,0|3,0,0]=4 884 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [1,0,0,0,0,0|3,0,0]=4 885 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,0,0,0,0,0|2,0,1]=4 886 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,0,0,0,0,0|2,0,1]=4 887 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,0,0,0,0,0|2,0,1]=4 888 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,0,0,0,0,0|2,0,1]=4 889 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,0,0,0,0|1,0,1]=3 890 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,0,0,0,0|1,0,1]=3 891 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,0,0,0,0,0|1,0,0]=2 892 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,0,0,0,0,0|1,0,0]=2 893 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,0,0,0,0,0|1,0,0]=2 894 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,0,0,0,0,0|1,0,0]=2 895 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,0,0,0,0,0|2,0,1]=4 896 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,0,0,0,0,0|1,0,0]=2 897 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,0,0,0,0,0|1,0,0]=2 898 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,0,0,0,0,0|1,0,0]=2 899 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,0,0,0,0,0|1,0,0]=2 900 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,0,0,0,0,0|1,0,0]=2 901 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,0,0,0,0,0|2,0,1]=4 902 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,0,0,0,0,0|2,0,1]=4 903 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,0,0,0,0,0|1,0,1]=3 904 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,0,0,0,0,0|1,0,1]=3 905 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,0,0,0,0,0|1,0,1]=3 906 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [1,0,0,0,0,0|2,0,1]=4 907 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [1,0,0,0,0,0|2,0,1]=4 908 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [1,0,0,0,0,0|2,0,1]=4 909 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [1,0,0,0,0,0|2,0,1]=4 910 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,0,0,0,0,0|1,1,1]=4 911 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,0,0,0,0,0|1,1,1]=4 912 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [1,0,0,0,0,0|2,0,0]=3 913 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,1,0,0,0,0|0,0,3]=4 914 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,1,0,0,0,0|2,0,1]=4 915 B10R0.26 C=COC(=O)CC(=O)C(C)C 1458a_100000210198_100000036128 [0,1,0,0,0,0|0,0,3]=4 916 B10R0.26 C=COC(=O)CN(C)C(C)C 269982a_200000211004_100000036128 [0,1,0,0,0,0|1,0,2]=4 917 B10R0.26 CC#CC(=O)CC(=O)C(C)C 1458a_100000763181_100000753385 [0,1,0,0,0,0|1,0,2]=4 918 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [0,1,0,0,0,0|2,0,1]=4 919 B10R0.26 CC(C)C(=O)CC(=O)NCO 1458a_100000210198_100000185155 [0,1,0,0,0,0|2,0,1]=4 920 B10R0.26 CC(C)C(C)NC(=O)CCO 240690a_100000211541_100011216618 [0,1,0,0,0,0|3,0,0]=4 921 B10R0.26 CC(C)N(C)CC(=O)CCF 1458a_100000743827_100011217306 [0,1,0,0,0,0|3,0,0]=4 922 B10R0.26 CC(C)N(C)CC(=O)CCO 1458a_100000743827_100000211926 [0,1,0,0,0,0|3,0,0]=4 923 B10R0.26 CC(C)N(C)CC(=O)NCO 269982a_200000211004_100000185155 [0,1,0,0,0,0|3,0,0]=4 924 B10R0.26 CC(CC(=O)CCF)N(C)C 1458a_100011311895_100011217306 [0,1,0,0,0,0|3,0,0]=4 925 B10R0.26 CC(CC(=O)CCO)N(C)C 1458a_100011311895_100000211926 [0,1,0,0,0,0|3,0,0]=4 926 B10R0.26 CC=CC(=O)CC(=O)C(C)C 1458a_100000210699_100000753385 [0,1,0,0,0,0|1,0,2]=4 927 B10R0.26 CC=CC(=O)NC(C)C(C)C 11a_100000211541_100000210699 [0,1,0,0,0,0|2,0,1]=4 928 B10R0.26 CC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000210699 [0,1,0,0,0,0|2,0,1]=4 929 B10R0.26 CC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000210699 [0,1,0,0,0,0|2,0,1]=4 930 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,1,0,0,0,0|1,0,1]=3 931 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,1,0,0,0,0|1,0,1]=3 932 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,1,0,0,0,0|2,0,1]=4 933 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,1,0,0,0,0|2,0,1]=4 934 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,1,0,0,0,0|2,0,1]=4 935 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,1,0,0,0,0|2,0,1]=4 936 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,1,0,0,0,0|2,0,0]=3 937 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,1,0,0,0,0|2,0,0]=3 938 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,1,0,0,0,0|2,0,0]=3 939 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 940 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 941 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 942 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,1,0,0,0,0|2,0,0]=3 943 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [0,1,0,0,0,0|1,0,1]=3 945 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [0,1,0,0,0,0|2,0,1]=4 946 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [0,1,0,0,0,0|2,0,1]=4 947 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [0,1,0,0,0,0|2,0,1]=4 948 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,1,0,0,0,0|2,0,0]=3 949 B10R0.26 CCNC(=O)CN(C)C(C)C 11a_100015525214_100000743827 [0,1,0,0,0,0|2,0,0]=3 950 B10R0.26 CCNC(=O)CN(C)C(C)C 2230a_100000741943_100000210206 [0,1,0,0,0,0|2,0,0]=3 951 B10R0.26 CCNC(=O)CN(C)C(C)C 240690a_100015525214_100000743827 [0,1,0,0,0,0|2,0,0]=3 952 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_100000741943_100000210206 [0,1,0,0,0,0|2,0,0]=3 953 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183381 [0,1,0,0,0,0|2,0,0]=3 954 B10R0.26 CCNC(=O)CN(C)C(C)C 527a_100015525214_100000743827 [0,1,0,0,0,0|2,0,0]=3 955 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,1,0,0,0,0|2,0,0]=3 956 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,1,0,0,0,0|2,0,0]=3 957 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,1,0,0,0,0|2,0,0]=3 958 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,1,0,0,0,0|2,0,0]=3 959 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,1,0,0,0,0|2,0,0]=3 960 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,1,0,0,0,0|2,0,0]=3 961 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,0,0|0,0,1]=2 962 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,0,0|0,0,1]=2 963 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,1,0,0,0,0|1,0,1]=3 964 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [0,1,0,0,0,0|2,0,1]=4 965 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,1,0,0,0,0|1,0,1]=3 966 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,0|1,0,1]=3 967 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,0|1,0,1]=3 968 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,0|1,0,1]=3 969 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,0,0|1,0,0]=2 970 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,0,0|1,0,0]=2 971 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,0|2,0,1]=4 972 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,0|2,0,1]=4 973 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,0|2,0,1]=4 974 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,0|2,0,1]=4 975 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,0,0|1,0,0]=2 976 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,0,0|1,0,0]=2 977 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,0,0|1,0,0]=2 978 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,0,0|1,0,0]=2 979 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,0,0|1,0,0]=2 980 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,0,0|1,0,0]=2 981 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,0,0|2,0,0]=3 982 B10R0.26 CNNC(=O)CC(C)N(C)C 22a_100016993582_100011311895 [0,1,0,0,0,0|3,0,0]=4 983 B10R0.26 CNNC(=O)CN(C)C(C)C 22a_100016993582_100000743827 [0,1,0,0,0,0|3,0,0]=4 984 B10R0.26 CNNC(=O)NC(C)C(C)C 273464a_100000211541_100016993582 [0,1,0,0,0,0|3,0,0]=4 985 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100000211541_100016993582 [0,1,0,0,0,0|3,0,0]=4 986 B10R0.26 CNNC(=O)NC(C)C(C)C 512a_100016993582_100000211541 [0,1,0,0,0,0|3,0,0]=4 987 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [0,1,0,0,0,0|2,0,1]=4 988 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 989 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 990 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 991 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [0,1,0,0,0,0|3,0,0]=4 992 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [0,1,0,0,0,0|2,0,1]=4 993 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 994 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 995 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 996 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [0,1,0,0,0,0|3,0,0]=4 997 B10R0.27 CCC(CCC(C)C)OCF 34a_100011216567_100015361967 [0,1,0,0,0,0|2,0,1]=4 998 B10R0.27 CCC(CCC(C)C)OCF 7a_100011216567_100015361967 [0,1,0,0,0,0|2,0,1]=4 999 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000207693_100000210303 [0,1,0,0,0,0|3,0,0]=4 1000 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000226822_100000210312 [0,1,0,0,0,0|3,0,0]=4 1001 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000207693_100000210303 [0,1,0,0,0,0|3,0,0]=4 1002 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000226822_100000210312 [0,1,0,0,0,0|3,0,0]=4 1003 B10R0.27 CCOC(CC)CCC(C)C 34a_100011216567_100000210202 [0,1,0,0,0,0|1,0,1]=3 1004 B10R0.27 CCOC(CC)CCC(C)C 7a_100011216567_100000210202 [0,1,0,0,0,0|1,0,1]=3 1005 B10R0.27 CCOC(CC)CNC(C)C 2230a_100015183923_100000210206 [0,1,0,0,0,0|2,0,1]=4 1006 B10R0.27 CCOC(CC)CNC(C)C 34a_100015183923_100000210206 [0,1,0,0,0,0|2,0,1]=4 1007 B10R0.32 C#CCC(=O)C(C)CC(C)C 1458a_100011220946_100000731052 [0,1,0,0,0,0|1,0,2]=4 1008 B10R0.32 C#CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000184674 [0,1,0,0,0,0|1,0,2]=4 1009 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,1,0,0,0,0|1,0,1]=3 1010 B10R0.32 C=CCC(=O)C(C)CC(C)C 1458a_100000210193_100000731052 [0,1,0,0,0,0|1,0,2]=4 1011 B10R0.32 C=CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210623 [0,1,0,0,0,0|1,0,2]=4 1012 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,1,0,0,0,0|1,0,1]=3 1013 B10R0.32 CC(C)CC(C)C(=O)C=CBr 1458a_100016273825_100000731052 [0,1,0,0,0,0|2,0,1]=4 1014 B10R0.32 CC(C)CC(C)C(=O)C=CCl 1458a_200016279998_100000731052 [0,1,0,0,0,0|2,0,1]=4 1015 B10R0.32 CC(C)CC(C)C(=O)C=CI 1458a_100016256311_100000731052 [0,1,0,0,0,0|2,0,1]=4 1016 B10R0.32 CC(C)CC(C)C(=O)CC#N 1458a_100051588842_100000731052 [0,1,0,0,0,0|2,0,1]=4 1017 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,1,0,0,0,0|2,0,0]=3 1018 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,1,0,0,0,0|3,0,0]=4 1019 B10R0.32 CC(C)C[C@H](O)C(=O)CC#N 1458a_100012027011_100011214920 [0,1,0,0,0,0|2,0,1]=4 1020 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,1,0,0,0,0|2,0,0]=3 1021 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,1,0,0,0,0|2,0,0]=3 1022 B10R0.32 CC(CN(C)C)C(=O)CCF 1458a_200015186601_100011217306 [0,1,0,0,0,0|3,0,0]=4 1023 B10R0.32 CC(CN(C)C)C(=O)CCO 1458a_200015186601_100000211926 [0,1,0,0,0,0|3,0,0]=4 1024 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,1,0,0,0,0|2,0,1]=4 1025 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,1,0,0,0,0|1,0,1]=3 1026 B10R0.32 CC=CC(=O)N(C)CC(C)C 11a_100000747067_100000210699 [0,1,0,0,0,0|2,0,1]=4 1027 B10R0.32 CC=CC(=O)N(C)CC(C)C 1626a_100000747067_100000210699 [0,1,0,0,0,0|2,0,1]=4 1028 B10R0.32 CC=CC(=O)N(C)CC(C)C 240690a_100000747067_100000210699 [0,1,0,0,0,0|2,0,1]=4 1029 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,0,0|2,0,1]=4 1030 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,0,0|1,0,0]=2 1031 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,1,0,0,0,0|2,0,0]=3 1032 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1033 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1034 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1035 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 1036 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,1,0,0,0,0|3,0,0]=4 1037 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,1,0,0,0,0|3,0,0]=4 1038 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,0,0|1,0,0]=2 1039 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000745462_100000210303 [0,1,0,0,0,0|3,0,0]=4 1040 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000747261_100000731052 [0,1,0,0,0,0|3,0,0]=4 1041 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000745462_100000210303 [0,1,0,0,0,0|3,0,0]=4 1042 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000747261_100000731052 [0,1,0,0,0,0|3,0,0]=4 1043 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,0,0|1,0,1]=3 1044 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,1,0,0,0,0|2,0,1]=4 1045 B10R0.32 CCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297158 [0,1,0,0,0,0|2,0,1]=4 1046 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100015525214_100011220036 [0,1,0,0,0,0|2,0,1]=4 1047 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297158 [0,1,0,0,0,0|2,0,1]=4 1048 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100015525214_100011220036 [0,1,0,0,0,0|2,0,1]=4 1049 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297158 [0,1,0,0,0,0|2,0,1]=4 1050 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,1,0,0,0,0|2,0,0]=3 1051 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100000736553_100000210206 [0,1,0,0,0,0|2,0,0]=3 1052 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230173 [0,1,0,0,0,0|2,0,0]=3 1053 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100000736553_100000210206 [0,1,0,0,0,0|2,0,0]=3 1054 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100138425928_100000230173 [0,1,0,0,0,0|2,0,0]=3 1055 B10R0.32 CCNC(=O)C(C)OC(C)C 34a_100000212225_100000230173 [0,1,0,0,0,0|2,0,0]=3 1056 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000210206_100000230173 [0,1,0,0,0,0|2,0,0]=3 1057 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000230173_100000210206 [0,1,0,0,0,0|2,0,0]=3 1058 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,1,0,0,0,0|2,0,0]=3 1059 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,1,0,0,0,0|2,0,0]=3 1060 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,1,0,0,0,0|3,0,0]=4 1061 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,0,0|1,0,0]=2 1062 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,0,0|1,0,1]=3 1063 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,1,0,0,0,0|1,0,1]=3 1064 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,1,0,0,0,0|1,0,1]=3 1065 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,1,0,0,0,0|1,0,1]=3 1066 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,0,0|1,0,0]=2 1067 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,0,0|1,0,0]=2 1068 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,0,0|1,0,0]=2 1069 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,0,0|1,0,0]=2 1070 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,0,0|1,0,0]=2 1071 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,0,0|1,0,0]=2 1072 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,0,0|1,0,0]=2 1073 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,0,0|1,0,0]=2 1074 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,0,0|1,0,0]=2 1075 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,0,0|1,0,0]=2 1076 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,0,0|1,0,0]=2 1078 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,1,0,0,0,0|1,0,2]=4 1079 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,1,0,0,0,0|1,1,0]=3 1080 B10R0.32 CNNC(=O)C(C)CN(C)C 22a_100016993582_200015186601 [0,1,0,0,0,0|3,0,0]=4 1081 B10R0.32 CNNC(=O)[C@@H](O)CC(C)C 22a_100016993582_100012027011 [0,1,0,0,0,0|2,0,0]=3 1082 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,1,0,0,0,0|2,0,0]=3 1083 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1084 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1085 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1086 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 1087 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,1,0,0,0,0|2,0,0]=3 1088 B10R0.32 CSCC(=O)N(C)CC(C)C 11a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1089 B10R0.32 CSCC(=O)N(C)CC(C)C 1626a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1090 B10R0.32 CSCC(=O)N(C)CC(C)C 240690a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1091 B10R0.32 CSCC(=O)N(C)CC(C)C 527a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 1092 B10R0.57 C#CC(C)C(=O)CCC(C)C 1458a_100000181311_200000035995 [0,1,0,0,0,0|1,0,2]=4 1093 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,1,0,0,0,0|1,0,1]=3 1094 B10R0.57 C/C=C(\C)/C(=O)CCC(C)O 1458a_100020587367_100012276601 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,1,0,0,0,0|2,0,1]=4 1097 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,1,0,0,0,0|1,0,2]=4 1098 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,1,0,0,0,0|1,0,2]=4 1099 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,1,0,0,0,0|1,0,2]=4 1100 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,1,0,0,0,0|1,0,2]=4 1101 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,1,0,0,0,0|1,0,2]=4 1102 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,1,0,0,0,0|1,0,2]=4 1103 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,1,0,0,0,0|1,0,2]=4 1104 B10R0.57 C=CC(C)C(=O)CCC(C)C 1458a_100011216780_100000210312 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.57 CC(C)CCC(=O)C(C)C#N 1458a_100000181311_100000703298 [0,1,0,0,0,0|2,0,1]=4 1106 B10R0.57 CC(C)CCC(=O)C(C)C#N 1458a_100000753662_100000210312 [0,1,0,0,0,0|2,0,1]=4 1107 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,1,0,0,0,0|2,0,0]=3 1108 B10R0.57 CC(C)CNC(=O)C(=O)CF 1458a_200011297155_100015361967 [0,1,0,0,0,0|3,0,0]=4 1109 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 2230a_100025753496_200025704644 [0,1,0,0,0,0|3,0,0]=4 1110 B10R0.57 CC(C)CNC(=O)C(C)N[13CH3] 34a_100025753496_200025704644 [0,1,0,0,0,0|3,0,0]=4 1111 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_100000230289_200025704644 [0,1,0,0,0,0|3,0,0]=4 1112 B10R0.57 CC(C)CNC(=O)C(C)S[13CH3] 62a_200025704644_100000230289 [0,1,0,0,0,0|3,0,0]=4 1113 B10R0.57 CC(C)CNC(=O)C(O)CO 240690a_100000210953_100011215603 [0,1,0,0,0,0|3,0,0]=4 1114 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,1,0,0,0,0|3,0,0]=4 1115 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,1,0,0,0,0|2,0,0]=3 1116 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,1,0,0,0,0|2,0,1]=4 1117 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,1,0,0,0,0|3,0,0]=4 1118 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,1,0,0,0,0|3,0,0]=4 1119 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,1,0,0,0,0|3,0,0]=4 1120 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,1,0,0,0,0|3,0,0]=4 1121 B10R0.57 CCC(C)C(=O)C=CC(C)C 1458a_100016268746_100000758301 [0,1,0,0,0,0|1,0,2]=4 1122 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,1,0,0,0,0|1,0,2]=4 1123 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,1,0,0,0,0|1,0,2]=4 1124 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,1,0,0,0,0|1,0,0]=2 1125 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,1,0,0,0,0|1,0,0]=2 1126 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,1,0,0,0,0|2,0,0]=3 1127 B10R0.57 CCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000758301 [0,1,0,0,0,0|2,0,0]=3 1128 B10R0.57 CCC(C)C(=O)COC(C)C 1458a_100000745533_100000758301 [0,1,0,0,0,0|2,0,0]=3 1129 B10R0.57 CCC(C)C(=O)CSC(C)C 1458a_100000241585_100000758301 [0,1,0,0,0,0|2,0,0]=3 1130 B10R0.57 CCC(C)C(=O)NCC(C)C 11a_100000210953_100011192722 [0,1,0,0,0,0|2,0,0]=3 1131 B10R0.57 CCC(C)C(=O)NCC(C)C 1626a_100000210953_100011192722 [0,1,0,0,0,0|2,0,0]=3 1132 B10R0.57 CCC(C)C(=O)NCC(C)C 240690a_100000210953_100011192722 [0,1,0,0,0,0|2,0,0]=3 1133 B10R0.57 CCC(C)C(=O)NCC(C)C 527a_100000210953_100011192722 [0,1,0,0,0,0|2,0,0]=3 1134 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,1,0,0,0,0|3,0,0]=4 1135 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,1,0,0,0,0|3,0,0]=4 1136 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,1,0,0,0,0|3,0,0]=4 1137 B10R0.57 CCC(C)C(=O)NNC(C)C 22a_100000741168_100011192722 [0,1,0,0,0,0|3,0,0]=4 1138 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000741768_100000210312 [0,1,0,0,0,0|3,0,0]=4 1139 B10R0.57 CCC(C)N(C)CCC(C)C 2230a_100000742789_100000758301 [0,1,0,0,0,0|3,0,0]=4 1140 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000741768_100000210312 [0,1,0,0,0,0|3,0,0]=4 1141 B10R0.57 CCC(C)N(C)CCC(C)C 269982a_100000742789_100000758301 [0,1,0,0,0,0|3,0,0]=4 1142 B10R0.57 CCC(O)C(=O)CC=C(C)C 1458a_100011196387_100000761012 [0,1,0,0,0,0|1,0,2]=4 1143 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,1,0,0,0,0|1,0,0]=2 1144 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,1,0,0,0,0|2,0,0]=3 1145 B10R0.57 CCC(O)C(=O)NCC(C)C 240690a_100000210953_100011196387 [0,1,0,0,0,0|2,0,0]=3 1146 B10R0.57 CCC(O)C(=O)NCC(C)O 240690a_100000210904_100011196387 [0,1,0,0,0,0|3,0,0]=4 1147 B10R0.57 CCC(O)C(=O)NNC(C)C 22a_100000741168_100011196387 [0,1,0,0,0,0|3,0,0]=4 1148 B10R0.57 CCN(C)C(=O)C=CC(C)C 11a_100000225621_100016268746 [0,1,0,0,0,0|1,0,2]=4 1149 B10R0.57 CCN(C)C(=O)C=CC(C)C 1626a_100000225621_100016268746 [0,1,0,0,0,0|1,0,2]=4 1150 B10R0.57 CCN(C)C(=O)C=CC(C)C 240690a_100000225621_100016268746 [0,1,0,0,0,0|1,0,2]=4 1151 B10R0.57 CCN(C)C(=O)CC=C(C)C 11a_100000225621_100011220947 [0,1,0,0,0,0|1,0,2]=4 1152 B10R0.57 CCN(C)C(=O)CC=C(C)C 1626a_100000225621_100011220947 [0,1,0,0,0,0|1,0,2]=4 1153 B10R0.57 CCN(C)C(=O)CC=C(C)C 240690a_100000225621_100011220947 [0,1,0,0,0,0|1,0,2]=4 1154 B10R0.57 CCN(C)C(=O)CC=C(C)C 527a_100000225621_100011220947 [0,1,0,0,0,0|1,0,2]=4 1155 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,1,0,0,0,0|1,0,0]=2 1156 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,1,0,0,0,0|1,0,0]=2 1157 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,1,0,0,0,0|1,0,0]=2 1158 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,1,0,0,0,0|1,0,0]=2 1159 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,1,0,0,0,0|2,0,0]=3 1160 B10R0.57 CCN(C)C(=O)CCN(C)C 11a_100000225621_100000689311 [0,1,0,0,0,0|2,0,0]=3 1161 B10R0.57 CCN(C)C(=O)CCN(C)C 240690a_100000225621_100000689311 [0,1,0,0,0,0|2,0,0]=3 1162 B10R0.57 CCN(C)C(=O)CCN(C)C 527a_100000225621_100000689311 [0,1,0,0,0,0|2,0,0]=3 1163 B10R0.57 CCN(C)C(=O)CC[S+](C)C 11a_100000225621_100009452791 [0,1,0,0,0,0|2,0,0]=3 1164 B10R0.57 CCN(C)C(=O)CC[S+](C)C 1626a_100000225621_100009452791 [0,1,0,0,0,0|2,0,0]=3 1165 B10R0.57 CCN(C)C(=O)CC[S+](C)C 240690a_100000225621_100009452791 [0,1,0,0,0,0|2,0,0]=3 1166 B10R0.57 CCN(C)C(=O)CNC(C)C 2230a_100138425928_100000738999 [0,1,0,0,0,0|2,0,0]=3 1167 B10R0.57 CCN(C)C(=O)CNC(C)C 34a_100138425928_100000738999 [0,1,0,0,0,0|2,0,0]=3 1168 B10R0.57 CCN(C)C(=O)COC(C)C 11a_100000225621_100000745533 [0,1,0,0,0,0|2,0,0]=3 1169 B10R0.57 CCN(C)C(=O)COC(C)C 1626a_100000225621_100000745533 [0,1,0,0,0,0|2,0,0]=3 1170 B10R0.57 CCN(C)C(=O)COC(C)C 240690a_100000225621_100000745533 [0,1,0,0,0,0|2,0,0]=3 1171 B10R0.57 CCN(C)C(=O)COC(C)C 34a_100000212225_100000738999 [0,1,0,0,0,0|2,0,0]=3 1172 B10R0.57 CCN(C)C(=O)COC(C)C 527a_100000225621_100000745533 [0,1,0,0,0,0|2,0,0]=3 1173 B10R0.57 CCN(C)C(=O)CSC(C)C 11a_100000225621_100000241585 [0,1,0,0,0,0|2,0,0]=3 1174 B10R0.57 CCN(C)C(=O)CSC(C)C 1626a_100000225621_100000241585 [0,1,0,0,0,0|2,0,0]=3 1175 B10R0.57 CCN(C)C(=O)CSC(C)C 240690a_100000225621_100000241585 [0,1,0,0,0,0|2,0,0]=3 1176 B10R0.57 CCN(C)C(=O)CSC(C)C 527a_100000225621_100000241585 [0,1,0,0,0,0|2,0,0]=3 1177 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000210206_100000738999 [0,1,0,0,0,0|2,0,0]=3 1178 B10R0.57 CCN(C)C(=O)CSC(C)C 62a_100000738999_100000210206 [0,1,0,0,0,0|2,0,0]=3 1179 B10R0.57 CCN(C)C(=O)NCC(C)C 2708a_100000210953_100000225621 [0,1,0,0,0,0|2,0,0]=3 1180 B10R0.57 CCN(C)C(=O)NCC(C)C 273464a_100000210953_100000225621 [0,1,0,0,0,0|2,0,0]=3 1181 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,1,0,0,0,0|3,0,0]=4 1182 B10R0.57 CCN(C)C(C)CCC(C)C 2230a_100000225621_100011261404 [0,1,0,0,0,0|2,0,1]=4 1183 B10R0.57 CCN(C)C(C)CCC(C)C 269982a_100000225621_100011261404 [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,1,0,0,0,0|2,0,0]=3 1185 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,1,0,0,0,0|3,0,0]=4 1186 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,1,0,0,0,0|3,0,0]=4 1187 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,1,0,0,0,0|3,0,0]=4 1188 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,1,0,0,0,0|3,0,0]=4 1189 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,1,0,0,0,0|3,0,0]=4 1190 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,1,0,0,0,0|3,0,0]=4 1191 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,1,0,0,0,0|3,0,0]=4 1192 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_100025753496_200000210301 [0,1,0,0,0,0|3,0,0]=4 1193 B10R0.57 CNC(C)C(=O)NCC(C)C 2230a_106832991635_100000230289 [0,1,0,0,0,0|3,0,0]=4 1194 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100025753496_200000210301 [0,1,0,0,0,0|3,0,0]=4 1195 B10R0.57 CNC(C)C(=O)NCC(C)C 34a_100102657272_100000230289 [0,1,0,0,0,0|3,0,0]=4 1196 B10R0.57 CNC(C)C(=O)NCC(C)C 7a_106832991635_100000230289 [0,1,0,0,0,0|3,0,0]=4 1197 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,1,0,0,0,0|3,0,0]=4 1198 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,1,0,0,0,0|3,0,0]=4 1199 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,1,0,0,0,0|3,0,0]=4 1200 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,1,0,0,0,0|3,0,0]=4 1201 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1202 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1203 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1204 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,1,0,0,0,0|3,0,0]=4 1205 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,1,0,0,0,0|2,0,0]=3 1206 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,1,0,0,0,0|3,0,0]=4 1207 B10R0.57 COC(C)C(=O)NCC(C)C 11a_100000210953_100000743197 [0,1,0,0,0,0|3,0,0]=4 1208 B10R0.57 COC(C)C(=O)NCC(C)C 1626a_100000210953_100000743197 [0,1,0,0,0,0|3,0,0]=4 1209 B10R0.57 COC(C)C(=O)NCC(C)C 240690a_100000210953_100000743197 [0,1,0,0,0,0|3,0,0]=4 1210 B10R0.57 COC(C)C(=O)NCC(C)C 34a_100138415774_100000230289 [0,1,0,0,0,0|3,0,0]=4 1211 B10R0.57 COC(C)C(=O)NCC(C)C 527a_100000210953_100000743197 [0,1,0,0,0,0|3,0,0]=4 1212 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100015207273_100000210206 [0,1,0,0,0,0|3,0,0]=4 1213 B10R0.57 CON(C)C(=O)CNC(C)C 2230a_100138425928_100000764215 [0,1,0,0,0,0|3,0,0]=4 1214 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000210206_100000764215 [0,1,0,0,0,0|3,0,0]=4 1215 B10R0.57 CON(C)C(=O)CSC(C)C 62a_100000764215_100000210206 [0,1,0,0,0,0|3,0,0]=4 1216 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,1,0,0,0,0|2,0,0]=3 1217 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,1,0,0,0,0|3,0,0]=4 1218 B10R0.57 CSC(C)C(=O)NCC(C)C 11a_100000210953_100000149566 [0,1,0,0,0,0|3,0,0]=4 1219 B10R0.57 CSC(C)C(=O)NCC(C)C 1626a_100000210953_100000149566 [0,1,0,0,0,0|3,0,0]=4 1220 B10R0.57 CSC(C)C(=O)NCC(C)C 240690a_100000210953_100000149566 [0,1,0,0,0,0|3,0,0]=4 1221 B10R0.57 CSC(C)C(=O)NCC(C)C 527a_100000210953_100000149566 [0,1,0,0,0,0|3,0,0]=4 1222 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_100000230289_200000210301 [0,1,0,0,0,0|3,0,0]=4 1223 B10R0.57 CSC(C)C(=O)NCC(C)C 62a_200000210301_100000230289 [0,1,0,0,0,0|3,0,0]=4 1224 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000181311_100000753159 [0,1,0,0,0,0|1,0,1]=3 1225 B10R0.78 C#CCCC(=O)CCC(C)C 1458a_100000692101_100000210312 [0,1,0,0,0,0|1,0,1]=3 1226 B10R0.78 C#CCCC(=O)CCC(C)O 1458a_100000692101_100012276601 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.78 C#CCCC(=O)CC[S+](C)C 1458a_100009452791_100000753159 [0,1,0,0,0,0|2,0,1]=4 1228 B10R0.78 C#CCCC(=O)COC(C)C 1458a_100000745533_100000753159 [0,1,0,0,0,0|2,0,1]=4 1229 B10R0.78 C#CCCC(=O)CSC(C)C 1458a_100000241585_100000753159 [0,1,0,0,0,0|2,0,1]=4 1230 B10R0.78 C#CCCC(=O)NCC(C)C 11a_100000210953_100000692101 [0,1,0,0,0,0|2,0,1]=4 1231 B10R0.78 C#CCCC(=O)NCC(C)C 1626a_100000210953_100000692101 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.78 C#CCCC(=O)NCC(C)C 240690a_100000210953_100000692101 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.78 C#CCCC(=O)NCC(C)C 527a_100000210953_100000692101 [0,1,0,0,0,0|2,0,1]=4 1234 B10R0.78 C#CCNC(=O)CCC(C)C 11a_100000212058_100000181311 [0,1,0,0,0,0|1,0,1]=3 1235 B10R0.78 C#CCNC(=O)CCC(C)C 1626a_100000212058_100000181311 [0,1,0,0,0,0|1,0,1]=3 1236 B10R0.78 C#CCNC(=O)CCC(C)C 240690a_100000212058_100000181311 [0,1,0,0,0,0|1,0,1]=3 1237 B10R0.78 C#CCNC(=O)CCC(C)C 527a_100000212058_100000181311 [0,1,0,0,0,0|1,0,1]=3 1238 B10R0.78 C#CCNC(=O)CCC(C)O 1626a_100000212058_100000718519 [0,1,0,0,0,0|2,0,1]=4 1239 B10R0.78 C#CCNC(=O)CCN(C)C 11a_100000212058_100000689311 [0,1,0,0,0,0|2,0,1]=4 1240 B10R0.78 C#CCNC(=O)CCN(C)C 240690a_100000212058_100000689311 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.78 C#CCNC(=O)CCN(C)C 527a_100000212058_100000689311 [0,1,0,0,0,0|2,0,1]=4 1242 B10R0.78 C#CCNC(=O)CC[S+](C)C 11a_100000212058_100009452791 [0,1,0,0,0,0|2,0,1]=4 1243 B10R0.78 C#CCNC(=O)CC[S+](C)C 1626a_100000212058_100009452791 [0,1,0,0,0,0|2,0,1]=4 1244 B10R0.78 C#CCNC(=O)CC[S+](C)C 240690a_100000212058_100009452791 [0,1,0,0,0,0|2,0,1]=4 1245 B10R0.78 C#CCNC(=O)CNC(C)C 2230a_100000747989_100000210206 [0,1,0,0,0,0|2,0,1]=4 1246 B10R0.78 C#CCNC(=O)CNC(C)C 34a_100000747989_100000210206 [0,1,0,0,0,0|2,0,1]=4 1247 B10R0.78 C#CCNC(=O)COC(C)C 11a_100000212058_100000745533 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.78 C#CCNC(=O)COC(C)C 1626a_100000212058_100000745533 [0,1,0,0,0,0|2,0,1]=4 1249 B10R0.78 C#CCNC(=O)COC(C)C 240690a_100000212058_100000745533 [0,1,0,0,0,0|2,0,1]=4 1250 B10R0.78 C#CCNC(=O)COC(C)C 527a_100000212058_100000745533 [0,1,0,0,0,0|2,0,1]=4 1251 B10R0.78 C#CCNC(=O)CSC(C)C 11a_100000212058_100000241585 [0,1,0,0,0,0|2,0,1]=4 1252 B10R0.78 C#CCNC(=O)CSC(C)C 1626a_100000212058_100000241585 [0,1,0,0,0,0|2,0,1]=4 1253 B10R0.78 C#CCNC(=O)CSC(C)C 240690a_100000212058_100000241585 [0,1,0,0,0,0|2,0,1]=4 1254 B10R0.78 C#CCNC(=O)CSC(C)C 527a_100000212058_100000241585 [0,1,0,0,0,0|2,0,1]=4 1255 B10R0.78 C#CCNC(=O)NCC(C)C 2708a_100000210953_100000212058 [0,1,0,0,0,0|2,0,1]=4 1256 B10R0.78 C#CCNC(=O)NCC(C)C 2708a_100000212058_100000210953 [0,1,0,0,0,0|2,0,1]=4 1257 B10R0.78 C#CCNC(=O)NCC(C)C 273464a_100000210953_100000212058 [0,1,0,0,0,0|2,0,1]=4 1258 B10R0.78 C#CCNC(=O)NCC(C)C 273464a_100000212058_100000210953 [0,1,0,0,0,0|2,0,1]=4 1259 B10R0.78 C#CCNC(=O)NCC(C)C 512a_100000210953_100000212058 [0,1,0,0,0,0|2,0,1]=4 1260 B10R0.78 C#CCNC(=O)NCC(C)C 512a_100000212058_100000210953 [0,1,0,0,0,0|2,0,1]=4 1261 B10R0.78 C#CCOC(C)CCC(C)C 34a_100000210247_100011261404 [0,1,0,0,0,0|1,0,2]=4 1262 B10R0.78 C#CCOC(C)CCC(C)C 34a_100011215350_100000184674 [0,1,0,0,0,0|1,0,2]=4 1263 B10R0.78 C#CCOC(C)CCC(C)C 7a_100011215350_100000038162 [0,1,0,0,0,0|1,0,2]=4 1264 B10R0.78 C/C=C/CC(=O)CCC(C)C 1458a_100000181311_100102629194 [0,1,0,0,0,0|1,0,1]=3 1265 B10R0.78 C/C=C/CC(=O)CC[S+](C)C 1458a_100009452791_100102629194 [0,1,0,0,0,0|2,0,1]=4 1266 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,1,0,0,0,0|2,0,1]=4 1267 B10R0.78 C/C=C/CC(=O)CSC(C)C 1458a_100000241585_100102629194 [0,1,0,0,0,0|2,0,1]=4 1268 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [0,1,0,0,0,0|1,0,2]=4 1269 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,1,0,0,0,0|1,0,2]=4 1270 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,1,0,0,0,0|1,0,2]=4 1271 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,1,0,0,0,0|1,0,2]=4 1272 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,1,0,0,0,0|1,0,2]=4 1273 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,1,0,0,0,0|1,0,2]=4 1274 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,1,0,0,0,0|1,0,2]=4 1275 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,1,0,0,0,0|1,0,2]=4 1276 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,1,0,0,0,0|1,0,2]=4 1277 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,1,0,0,0,0|1,0,2]=4 1278 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,1,0,0,0,0|0,0,2]=3 1279 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,1,0,0,0,0|0,1,2]=4 1280 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,1,0,0,0,0|1,0,2]=4 1281 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,1,0,0,0,0|1,0,2]=4 1282 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,1,0,0,0,0|1,0,2]=4 1283 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,1,0,0,0,0|1,0,2]=4 1284 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [0,1,0,0,0,0|1,0,2]=4 1285 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [0,1,0,0,0,0|1,0,2]=4 1286 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [0,1,0,0,0,0|1,0,2]=4 1287 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [0,1,0,0,0,0|1,0,2]=4 1288 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,1,0,0,0,0|1,0,2]=4 1289 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,1,0,0,0,0|1,0,2]=4 1290 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [0,1,0,0,0,0|1,0,2]=4 1291 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,1,0,0,0,0|1,0,2]=4 1292 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,1,0,0,0,0|1,0,2]=4 1293 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,1,0,0,0,0|1,0,2]=4 1294 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,1,0,0,0,0|1,0,2]=4 1295 B10R0.78 C=C(CNC(C)C)OCOC 34a_100138425928_100000042856 [0,1,0,0,0,0|2,0,0]=3 1296 B10R0.78 C=C(COC(C)C)OCOC 34a_100000212225_100000042856 [0,1,0,0,0,0|2,0,0]=3 1297 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000042856_100000210206 [0,1,0,0,0,0|2,0,0]=3 1298 B10R0.78 C=C(CSC(C)C)OCOC 62a_100000210206_100000042856 [0,1,0,0,0,0|2,0,0]=3 1299 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [0,1,0,0,0,0|1,0,2]=4 1300 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,1,0,0,0,0|1,0,1]=3 1301 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,1,0,0,0,0|1,0,1]=3 1302 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,1,0,0,0,0|2,0,1]=4 1303 B10R0.78 C=CCCC(=O)CC[S+](C)C 1458a_100009452791_100000754431 [0,1,0,0,0,0|2,0,1]=4 1304 B10R0.78 C=CCCC(=O)COC(C)C 1458a_100000745533_100000754431 [0,1,0,0,0,0|2,0,1]=4 1305 B10R0.78 C=CCCC(=O)CSC(C)C 1458a_100000241585_100000754431 [0,1,0,0,0,0|2,0,1]=4 1306 B10R0.78 C=CCCC(=O)NCC(C)C 11a_100000210953_100000749702 [0,1,0,0,0,0|2,0,1]=4 1307 B10R0.78 C=CCCC(=O)NCC(C)C 1626a_100000210953_100000749702 [0,1,0,0,0,0|2,0,1]=4 1308 B10R0.78 C=CCCC(=O)NCC(C)C 240690a_100000210953_100000749702 [0,1,0,0,0,0|2,0,1]=4 1309 B10R0.78 C=CCCC(=O)NCC(C)C 527a_100000210953_100000749702 [0,1,0,0,0,0|2,0,1]=4 1310 B10R0.78 C=CCNC(=O)CCC(C)C 1626a_100020586998_100000181311 [0,1,0,0,0,0|1,0,1]=3 1311 B10R0.78 C=CCNC(=O)CCC(C)C 240690a_100020586998_100000181311 [0,1,0,0,0,0|1,0,1]=3 1312 B10R0.78 C=CCNC(=O)CCC(C)C 527a_100020586998_100000181311 [0,1,0,0,0,0|1,0,1]=3 1313 B10R0.78 C=CCNC(=O)CCC(C)O 1626a_100020586998_100000718519 [0,1,0,0,0,0|2,0,1]=4 1314 B10R0.78 C=CCNC(=O)CCN(C)C 2230a_100102631434_100011222895 [0,1,0,0,0,0|2,0,1]=4 1315 B10R0.78 C=CCNC(=O)CCN(C)C 240690a_100020586998_100000689311 [0,1,0,0,0,0|2,0,1]=4 1316 B10R0.78 C=CCNC(=O)CCN(C)C 269982a_100102631434_100011222895 [0,1,0,0,0,0|2,0,1]=4 1317 B10R0.78 C=CCNC(=O)CCN(C)C 527a_100020586998_100000689311 [0,1,0,0,0,0|2,0,1]=4 1318 B10R0.78 C=CCNC(=O)CC[S+](C)C 1626a_100020586998_100009452791 [0,1,0,0,0,0|2,0,1]=4 1319 B10R0.78 C=CCNC(=O)CC[S+](C)C 240690a_100020586998_100009452791 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.78 C=CCNC(=O)CNC(C)C 2230a_100138425928_100000183597 [0,1,0,0,0,0|2,0,1]=4 1321 B10R0.78 C=CCNC(=O)COC(C)C 1626a_100020586998_100000745533 [0,1,0,0,0,0|2,0,1]=4 1322 B10R0.78 C=CCNC(=O)COC(C)C 240690a_100020586998_100000745533 [0,1,0,0,0,0|2,0,1]=4 1323 B10R0.78 C=CCNC(=O)COC(C)C 527a_100020586998_100000745533 [0,1,0,0,0,0|2,0,1]=4 1324 B10R0.78 C=CCNC(=O)CSC(C)C 1626a_100020586998_100000241585 [0,1,0,0,0,0|2,0,1]=4 1325 B10R0.78 C=CCNC(=O)CSC(C)C 240690a_100020586998_100000241585 [0,1,0,0,0,0|2,0,1]=4 1326 B10R0.78 C=CCNC(=O)CSC(C)C 527a_100020586998_100000241585 [0,1,0,0,0,0|2,0,1]=4 1327 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000183597_100000210206 [0,1,0,0,0,0|2,0,1]=4 1328 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000210206_100000183597 [0,1,0,0,0,0|2,0,1]=4 1329 B10R0.78 C=CCNC(=O)NCC(C)C 2708a_100000210953_100020586998 [0,1,0,0,0,0|2,0,1]=4 1330 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100000210953_100020586998 [0,1,0,0,0,0|2,0,1]=4 1331 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100020586998_100000210953 [0,1,0,0,0,0|2,0,1]=4 1332 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100000210953_100020586998 [0,1,0,0,0,0|2,0,1]=4 1333 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100020586998_100000210953 [0,1,0,0,0,0|2,0,1]=4 1334 B10R0.78 C=CCOC(=O)CNC(C)C 2230a_100138425928_100000033060 [0,1,0,0,0,0|1,0,1]=3 1335 B10R0.78 C=CCOC(=O)CNC(C)C 34a_100138425928_100000033060 [0,1,0,0,0,0|1,0,1]=3 1336 B10R0.78 C=CCOC(=O)COC(C)C 34a_100000212225_100000033060 [0,1,0,0,0,0|1,0,1]=3 1337 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000033060_100000210206 [0,1,0,0,0,0|1,0,1]=3 1338 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000210206_100000033060 [0,1,0,0,0,0|1,0,1]=3 1339 B10R0.78 C=CCOC(C)CCC(C)C 34a_100011215350_100015514636 [0,1,0,0,0,0|1,0,2]=4 1340 B10R0.78 C=CCOC(C)CCC(C)C 34a_200000210373_100011261404 [0,1,0,0,0,0|1,0,2]=4 1341 B10R0.78 C=CCOC(C)CCC(C)C 7a_100011215350_100015514636 [0,1,0,0,0,0|1,0,2]=4 1342 B10R0.78 CC#CCC(=O)CCC(C)C 1458a_100000181311_100000748600 [0,1,0,0,0,0|1,0,1]=3 1343 B10R0.78 CC#CCC(=O)CC[S+](C)C 1458a_100009452791_100000748600 [0,1,0,0,0,0|2,0,1]=4 1344 B10R0.78 CC#CCC(=O)COC(C)C 1458a_100000745533_100000748600 [0,1,0,0,0,0|2,0,1]=4 1345 B10R0.78 CC#CCC(=O)CSC(C)C 1458a_100000241585_100000748600 [0,1,0,0,0,0|2,0,1]=4 1346 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,1,0,0,0,0|1,0,2]=4 1347 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,1,0,0,0,0|1,0,2]=4 1348 B10R0.78 CC(=CCC(=O)NCCF)C 11a_100000724931_100011220947 [0,1,0,0,0,0|1,0,2]=4 1349 B10R0.78 CC(=CCC(=O)NCCF)C 1626a_100000724931_100011220947 [0,1,0,0,0,0|1,0,2]=4 1350 B10R0.78 CC(=CCC(=O)NCCF)C 240690a_100000724931_100011220947 [0,1,0,0,0,0|1,0,2]=4 1351 B10R0.78 CC(=CCC(=O)NCCF)C 527a_100000724931_100011220947 [0,1,0,0,0,0|1,0,2]=4 1352 B10R0.78 CC(=CCC(=O)NCCO)C 240690a_100000210304_100011220947 [0,1,0,0,0,0|1,0,2]=4 1353 B10R0.78 CC(=CCC(=O)NCCO)C 527a_100000210304_100011220947 [0,1,0,0,0,0|1,0,2]=4 1354 B10R0.78 CC(C)C=CC(=O)CCCF 1458a_100016268746_100011934791 [0,1,0,0,0,0|1,0,2]=4 1355 B10R0.78 CC(C)C=CC(=O)CCCO 1458a_100016268746_100011215043 [0,1,0,0,0,0|1,0,2]=4 1356 B10R0.78 CC(C)C=CC(=O)NCCF 11a_100000724931_100016268746 [0,1,0,0,0,0|1,0,2]=4 1357 B10R0.78 CC(C)C=CC(=O)NCCF 1626a_100000724931_100016268746 [0,1,0,0,0,0|1,0,2]=4 1358 B10R0.78 CC(C)C=CC(=O)NCCF 240690a_100000724931_100016268746 [0,1,0,0,0,0|1,0,2]=4 1359 B10R0.78 CC(C)C=CC(=O)NCCO 240690a_100000210304_100016268746 [0,1,0,0,0,0|1,0,2]=4 1360 B10R0.78 CC(C)CCC(=O)C#CCO 1458a_100000049017_100000210312 [0,1,0,0,0,0|1,0,1]=3 1361 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100000181311_100011215226 [0,1,0,0,0,0|1,0,1]=3 1362 B10R0.78 CC(C)CCC(=O)CCC#N 1458a_100011934036_100000210312 [0,1,0,0,0,0|1,0,1]=3 1363 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [0,1,0,0,0,0|1,0,0]=2 1364 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [0,1,0,0,0,0|1,0,0]=2 1365 B10R0.78 CC(C)CCC(=O)NCC#N 1626a_100000734998_100000181311 [0,1,0,0,0,0|1,0,1]=3 1366 B10R0.78 CC(C)CCC(=O)NCC#N 527a_100000734998_100000181311 [0,1,0,0,0,0|1,0,1]=3 1367 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [0,1,0,0,0,0|1,0,0]=2 1368 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [0,1,0,0,0,0|1,0,0]=2 1369 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [0,1,0,0,0,0|1,0,0]=2 1370 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [0,1,0,0,0,0|1,0,0]=2 1371 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [0,1,0,0,0,0|1,0,0]=2 1372 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [0,1,0,0,0,0|1,0,0]=2 1373 B10R0.78 CC(C)CCC(C)NCCF 2230a_100138410893_100011217306 [0,1,0,0,0,0|2,0,1]=4 1374 B10R0.78 CC(C)CCC(C)NCCF 34a_100000724931_100011261404 [0,1,0,0,0,0|2,0,1]=4 1375 B10R0.78 CC(C)CCC(C)NCCO 2230a_100016997473_100011261404 [0,1,0,0,0,0|2,0,1]=4 1376 B10R0.78 CC(C)CCC(C)NCCO 2230a_100138410893_100000211926 [0,1,0,0,0,0|2,0,1]=4 1377 B10R0.78 CC(C)CCC(C)NCCO 270004a_100000210304_100000210476 [0,1,0,0,0,0|2,0,1]=4 1378 B10R0.78 CC(C)CCC(C)NCCO 34a_100016990907_100011261404 [0,1,0,0,0,0|2,0,1]=4 1379 B10R0.78 CC(C)CCC(C)OCC#N 7a_100011215350_100011215382 [0,1,0,0,0,0|1,0,2]=4 1380 B10R0.78 CC(C)CCC(C)OCC=O 34a_100011215350_200009817547 [0,1,0,0,0,0|1,0,2]=4 1381 B10R0.78 CC(C)CCC(C)OCC=O 7a_100011215350_200015260668 [0,1,0,0,0,0|1,0,2]=4 1382 B10R0.78 CC(C)CCC(C)OCCBr 34a_100000211926_100011261404 [0,1,0,0,0,0|1,0,1]=3 1383 B10R0.78 CC(C)CCC(C)OCCF 34a_100011215350_100011217306 [0,1,0,0,0,0|1,0,1]=3 1384 B10R0.78 CC(C)CCC(C)OCCF 7a_100011215350_100011217306 [0,1,0,0,0,0|1,0,1]=3 1385 B10R0.78 CC(C)CCC(C)OCCN 34a_100000210304_100011261404 [0,1,0,0,0,0|1,0,1]=3 1386 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [0,1,0,0,0,0|1,0,1]=3 1387 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [0,1,0,0,0,0|1,0,1]=3 1388 B10R0.78 CC(C)CCC(C)SCCF 62a_100011217306_100011261404 [0,1,0,0,0,0|1,1,1]=4 1389 B10R0.78 CC(C)CCC(C)SCCF 62a_100011261404_100011217306 [0,1,0,0,0,0|1,1,1]=4 1390 B10R0.78 CC(C)CCC(C)SCCO 62a_100000211926_100011261404 [0,1,0,0,0,0|1,1,1]=4 1391 B10R0.78 CC(C)CCC(C)SCCO 62a_100011261404_100000211926 [0,1,0,0,0,0|1,1,1]=4 1392 B10R0.78 CC(C)CCN(C)CCCF 2230a_100000742789_100011934791 [0,1,0,0,0,0|3,0,0]=4 1393 B10R0.78 CC(C)CCN(C)CCCF 269982a_100000742789_100011934791 [0,1,0,0,0,0|3,0,0]=4 1394 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000213112_100000210312 [0,1,0,0,0,0|3,0,0]=4 1395 B10R0.78 CC(C)CCN(C)CCCO 2230a_100000742789_100000230001 [0,1,0,0,0,0|3,0,0]=4 1396 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000213112_100000210312 [0,1,0,0,0,0|3,0,0]=4 1397 B10R0.78 CC(C)CCN(C)CCCO 269982a_100000742789_100011215043 [0,1,0,0,0,0|3,0,0]=4 1398 B10R0.78 CC(C)CNC(=O)CCC#N 11a_100000210953_100011934036 [0,1,0,0,0,0|2,0,1]=4 1399 B10R0.78 CC(C)CNC(=O)CCC#N 1626a_100000210953_100011934036 [0,1,0,0,0,0|2,0,1]=4 1400 B10R0.78 CC(C)CNC(=O)CCC#N 240690a_100000210953_100011934036 [0,1,0,0,0,0|2,0,1]=4 1401 B10R0.78 CC(C)CNC(=O)CCC#N 527a_100000210953_100011934036 [0,1,0,0,0,0|2,0,1]=4 1402 B10R0.78 CC(C)CNC(=O)CSCF 62a_100000183291_100015361967 [0,1,0,0,0,0|2,1,0]=4 1403 B10R0.78 CC(C)CNC(=O)CSCF 62a_100015361967_100000183291 [0,1,0,0,0,0|2,1,0]=4 1404 B10R0.78 CC(C)CNC(=O)NCC#N 2708a_100000734998_100000210953 [0,1,0,0,0,0|2,0,1]=4 1405 B10R0.78 CC(C)CNC(=O)NCC#N 273464a_100000210953_100000734998 [0,1,0,0,0,0|2,0,1]=4 1406 B10R0.78 CC(C)CNC(=O)NCC#N 273464a_100000734998_100000210953 [0,1,0,0,0,0|2,0,1]=4 1407 B10R0.78 CC(C)CNC(=O)NCC#N 512a_100000210953_100000734998 [0,1,0,0,0,0|2,0,1]=4 1408 B10R0.78 CC(C)CNC(=O)NCC#N 512a_100000734998_100000210953 [0,1,0,0,0,0|2,0,1]=4 1409 B10R0.78 CC(C)CNC(=O)NCCF 2708a_100000210953_100000724931 [0,1,0,0,0,0|2,0,0]=3 1410 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000210953_100000724931 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.78 CC(C)CNC(=O)NCCF 273464a_100000724931_100000210953 [0,1,0,0,0,0|2,0,0]=3 1412 B10R0.78 CC(C)CNC(=O)NCCF 512a_100000210953_100000724931 [0,1,0,0,0,0|2,0,0]=3 1413 B10R0.78 CC(C)CNC(=O)NCCO 2708a_100000210953_100000210304 [0,1,0,0,0,0|2,0,0]=3 1414 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210304_100000210953 [0,1,0,0,0,0|2,0,0]=3 1415 B10R0.78 CC(C)CNC(=O)NCCO 273464a_100000210953_100000210304 [0,1,0,0,0,0|2,0,0]=3 1416 B10R0.78 CC(C)CNC(=O)NCCO 512a_100000210953_100000210304 [0,1,0,0,0,0|2,0,0]=3 1417 B10R0.78 CC(C)NCC(=O)NCC#N 2230a_100138425928_100000736037 [0,1,0,0,0,0|2,0,1]=4 1418 B10R0.78 CC(C)NCC(=O)NCCF 2230a_100000725713_100000210206 [0,1,0,0,0,0|2,0,0]=3 1419 B10R0.78 CC(C)NNC(=O)NCCF 273464a_100000724931_100000741168 [0,1,0,0,0,0|3,0,0]=4 1420 B10R0.78 CC(C)NNC(=O)NCCF 512a_100000741168_100000724931 [0,1,0,0,0,0|3,0,0]=4 1421 B10R0.78 CC(C)NNC(=O)NCCO 273464a_100000210304_100000741168 [0,1,0,0,0,0|3,0,0]=4 1422 B10R0.78 CC(C)NNC(=O)NCCO 512a_100000741168_100000210304 [0,1,0,0,0,0|3,0,0]=4 1423 B10R0.78 CC(C)OCC(=O)CCC#N 1458a_100000745533_100011215226 [0,1,0,0,0,0|2,0,1]=4 1424 B10R0.78 CC(C)OCC(=O)CCCF 1458a_100000745533_100011934791 [0,1,0,0,0,0|2,0,0]=3 1425 B10R0.78 CC(C)OCC(=O)CCCO 1458a_100000745533_100011215043 [0,1,0,0,0,0|2,0,0]=3 1426 B10R0.78 CC(C)OCC(=O)NCC#N 1626a_100000734998_100000745533 [0,1,0,0,0,0|2,0,1]=4 1427 B10R0.78 CC(C)OCC(=O)NCC#N 527a_100000734998_100000745533 [0,1,0,0,0,0|2,0,1]=4 1428 B10R0.78 CC(C)OCC(=O)NCCF 11a_100000724931_100000745533 [0,1,0,0,0,0|2,0,0]=3 1429 B10R0.78 CC(C)OCC(=O)NCCF 1626a_100000724931_100000745533 [0,1,0,0,0,0|2,0,0]=3 1430 B10R0.78 CC(C)OCC(=O)NCCF 240690a_100000724931_100000745533 [0,1,0,0,0,0|2,0,0]=3 1431 B10R0.78 CC(C)OCC(=O)NCCF 527a_100000724931_100000745533 [0,1,0,0,0,0|2,0,0]=3 1432 B10R0.78 CC(C)OCC(=O)NCCO 240690a_100000210304_100000745533 [0,1,0,0,0,0|2,0,0]=3 1433 B10R0.78 CC(C)OCC(=O)NCCO 527a_100000210304_100000745533 [0,1,0,0,0,0|2,0,0]=3 1434 B10R0.78 CC(C)SCC(=O)CCC#N 1458a_100000241585_100011215226 [0,1,0,0,0,0|2,0,1]=4 1435 B10R0.78 CC(C)SCC(=O)CCCF 1458a_100000241585_100011934791 [0,1,0,0,0,0|2,0,0]=3 1436 B10R0.78 CC(C)SCC(=O)CCCO 1458a_100000241585_100011215043 [0,1,0,0,0,0|2,0,0]=3 1437 B10R0.78 CC(C)SCC(=O)NCC#N 1626a_100000734998_100000241585 [0,1,0,0,0,0|2,0,1]=4 1438 B10R0.78 CC(C)SCC(=O)NCC#N 527a_100000734998_100000241585 [0,1,0,0,0,0|2,0,1]=4 1439 B10R0.78 CC(C)SCC(=O)NCC#N 62a_100000210206_100000736037 [0,1,0,0,0,0|2,0,1]=4 1440 B10R0.78 CC(C)SCC(=O)NCC#N 62a_100000736037_100000210206 [0,1,0,0,0,0|2,0,1]=4 1441 B10R0.78 CC(C)SCC(=O)NCCF 11a_100000724931_100000241585 [0,1,0,0,0,0|2,0,0]=3 1442 B10R0.78 CC(C)SCC(=O)NCCF 1626a_100000724931_100000241585 [0,1,0,0,0,0|2,0,0]=3 1443 B10R0.78 CC(C)SCC(=O)NCCF 240690a_100000724931_100000241585 [0,1,0,0,0,0|2,0,0]=3 1444 B10R0.78 CC(C)SCC(=O)NCCF 527a_100000724931_100000241585 [0,1,0,0,0,0|2,0,0]=3 1445 B10R0.78 CC(C)SCC(=O)NCCO 240690a_100000210304_100000241585 [0,1,0,0,0,0|2,0,0]=3 1446 B10R0.78 CC(C)SCC(=O)NCCO 527a_100000210304_100000241585 [0,1,0,0,0,0|2,0,0]=3 1447 B10R0.78 CC(O)CCC(=O)C#CCO 1458a_100000049017_100012276601 [0,1,0,0,0,0|2,0,1]=4 1448 B10R0.78 CC(O)CCC(=O)CCC#N 1458a_100011934036_100012276601 [0,1,0,0,0,0|2,0,1]=4 1449 B10R0.78 CC(O)CCC(=O)NCC#N 1626a_100000734998_100000718519 [0,1,0,0,0,0|2,0,1]=4 1450 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [0,1,0,0,0,0|2,0,0]=3 1451 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000210904_100000724931 [0,1,0,0,0,0|3,0,0]=4 1452 B10R0.78 CC(O)CNC(=O)NCCF 273464a_100000724931_100000210904 [0,1,0,0,0,0|3,0,0]=4 1453 B10R0.78 CC(O)CNC(=O)NCCF 512a_100000210904_100000724931 [0,1,0,0,0,0|3,0,0]=4 1454 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210304_100000210904 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.78 CC(O)CNC(=O)NCCO 273464a_100000210904_100000210304 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.78 CC(O)CNC(=O)NCCO 512a_100000210904_100000210304 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100000181311_100000070051 [0,1,0,0,0,0|1,0,1]=3 1458 B10R0.78 CC=CCC(=O)CCC(C)C 1458a_100121576822_100000210312 [0,1,0,0,0,0|1,0,1]=3 1459 B10R0.78 CC=CCC(=O)CCC(C)O 1458a_100121576822_100012276601 [0,1,0,0,0,0|2,0,1]=4 1460 B10R0.78 CC=CCC(=O)CC[S+](C)C 1458a_100009452791_100000070051 [0,1,0,0,0,0|2,0,1]=4 1461 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,1,0,0,0,0|2,0,1]=4 1462 B10R0.78 CC=CCC(=O)CSC(C)C 1458a_100000241585_100000070051 [0,1,0,0,0,0|2,0,1]=4 1463 B10R0.78 CC=CCC(=O)NCC(C)C 11a_100000210953_100121576822 [0,1,0,0,0,0|2,0,1]=4 1464 B10R0.78 CC=CCC(=O)NCC(C)C 1626a_100000210953_100121576822 [0,1,0,0,0,0|2,0,1]=4 1465 B10R0.78 CC=CCC(=O)NCC(C)C 240690a_100000210953_100121576822 [0,1,0,0,0,0|2,0,1]=4 1466 B10R0.78 CC=CCC(=O)NCC(C)C 527a_100000210953_100121576822 [0,1,0,0,0,0|2,0,1]=4 1467 B10R0.78 CCC#CC(=O)CC=C(C)C 1458a_100011827653_100000761012 [0,1,0,0,0,0|1,0,2]=4 1468 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [0,1,0,0,0,0|1,0,0]=2 1469 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [0,1,0,0,0,0|2,0,0]=3 1470 B10R0.78 CCC#CC(=O)NNC(C)C 22a_100000741168_100011827653 [0,1,0,0,0,0|3,0,0]=4 1471 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,1,0,0,0,0|1,0,2]=4 1472 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,1,0,0,0,0|1,0,0]=2 1473 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,1,0,0,0,0|2,0,0]=3 1474 B10R0.78 CCC=CC(=O)NCC(C)C 11a_100000210953_100000212282 [0,1,0,0,0,0|2,0,0]=3 1475 B10R0.78 CCC=CC(=O)NCC(C)C 1626a_100000210953_100000212282 [0,1,0,0,0,0|2,0,0]=3 1476 B10R0.78 CCC=CC(=O)NCC(C)C 240690a_100000210953_100000212282 [0,1,0,0,0,0|2,0,0]=3 1477 B10R0.78 CCC=CC(=O)NCC(C)O 11a_100000210904_100000212282 [0,1,0,0,0,0|3,0,0]=4 1478 B10R0.78 CCC=CC(=O)NCC(C)O 240690a_100000210904_100000212282 [0,1,0,0,0,0|3,0,0]=4 1479 B10R0.78 CCC=CC(=O)NNC(C)C 22a_100000741168_100000212282 [0,1,0,0,0,0|3,0,0]=4 1480 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,1,0,0,0,0|1,0,2]=4 1481 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,1,0,0,0,0|1,0,2]=4 1482 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,1,0,0,0,0|1,0,2]=4 1483 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,1,0,0,0,0|1,0,0]=2 1484 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,1,0,0,0,0|1,0,0]=2 1485 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,1,0,0,0,0|2,0,0]=3 1486 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,1,0,0,0,0|2,0,0]=3 1487 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,1,0,0,0,0|2,0,0]=3 1488 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,1,0,0,0,0|2,0,0]=3 1489 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,1,0,0,0,0|2,0,0]=3 1490 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,1,0,0,0,0|2,0,0]=3 1491 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,1,0,0,0,0|2,0,0]=3 1492 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,1,0,0,0,0|2,0,0]=3 1493 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,1,0,0,0,0|3,0,0]=4 1494 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,1,0,0,0,0|3,0,0]=4 1495 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,1,0,0,0,0|3,0,0]=4 1496 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [0,1,0,0,0,0|3,0,0]=4 1497 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [0,1,0,0,0,0|3,0,0]=4 1498 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [0,1,0,0,0,0|3,0,0]=4 1499 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [0,1,0,0,0,0|3,0,0]=4 1500 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [0,1,0,0,0,0|3,0,0]=4 1501 B10R0.78 CCCNC(=O)C=CC(C)C 11a_100020643023_100016268746 [0,1,0,0,0,0|1,0,2]=4 1502 B10R0.78 CCCNC(=O)C=CC(C)C 1626a_100020643023_100016268746 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.78 CCCNC(=O)C=CC(C)C 240690a_100020643023_100016268746 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,1,0,0,0,0|1,0,2]=4 1505 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,1,0,0,0,0|1,0,2]=4 1506 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,1,0,0,0,0|1,0,2]=4 1507 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,1,0,0,0,0|1,0,2]=4 1508 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,1,0,0,0,0|2,0,1]=4 1509 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,1,0,0,0,0|2,0,1]=4 1510 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [0,1,0,0,0,0|1,0,0]=2 1511 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [0,1,0,0,0,0|1,0,0]=2 1512 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [0,1,0,0,0,0|1,0,0]=2 1513 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [0,1,0,0,0,0|1,0,0]=2 1514 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [0,1,0,0,0,0|2,0,0]=3 1515 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [0,1,0,0,0,0|2,0,0]=3 1516 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [0,1,0,0,0,0|2,0,0]=3 1517 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [0,1,0,0,0,0|2,0,0]=3 1518 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [0,1,0,0,0,0|2,0,0]=3 1519 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [0,1,0,0,0,0|2,0,0]=3 1520 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [0,1,0,0,0,0|2,0,0]=3 1521 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100000174927_100000210206 [0,1,0,0,0,0|2,0,0]=3 1522 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100138425928_100000183358 [0,1,0,0,0,0|2,0,0]=3 1523 B10R0.78 CCCNC(=O)CNC(C)C 34a_100138425928_100000183358 [0,1,0,0,0,0|2,0,0]=3 1524 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,1,0,0,0,0|2,0,0]=3 1525 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,1,0,0,0,0|2,0,0]=3 1526 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,1,0,0,0,0|2,0,0]=3 1527 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,1,0,0,0,0|2,0,0]=3 1528 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,1,0,0,0,0|2,0,0]=3 1529 B10R0.78 CCCNC(=O)CSC(C)C 11a_100020643023_100000241585 [0,1,0,0,0,0|2,0,0]=3 1530 B10R0.78 CCCNC(=O)CSC(C)C 1626a_100020643023_100000241585 [0,1,0,0,0,0|2,0,0]=3 1531 B10R0.78 CCCNC(=O)CSC(C)C 240690a_100020643023_100000241585 [0,1,0,0,0,0|2,0,0]=3 1532 B10R0.78 CCCNC(=O)CSC(C)C 527a_100020643023_100000241585 [0,1,0,0,0,0|2,0,0]=3 1533 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000183358_100000210206 [0,1,0,0,0,0|2,0,0]=3 1534 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000210206_100000183358 [0,1,0,0,0,0|2,0,0]=3 1535 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [0,1,0,0,0,0|2,0,0]=3 1536 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [0,1,0,0,0,0|2,0,0]=3 1537 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [0,1,0,0,0,0|2,0,0]=3 1538 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [0,1,0,0,0,0|2,0,0]=3 1539 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [0,1,0,0,0,0|2,0,0]=3 1540 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [0,1,0,0,0,0|2,0,0]=3 1541 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [0,1,0,0,0,0|3,0,0]=4 1542 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [0,1,0,0,0,0|3,0,0]=4 1543 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [0,1,0,0,0,0|3,0,0]=4 1544 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [0,1,0,0,0,0|3,0,0]=4 1545 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [0,1,0,0,0,0|3,0,0]=4 1546 B10R0.78 CCCNC(=O)NNC(C)C 273464a_100020643023_100000741168 [0,1,0,0,0,0|3,0,0]=4 1547 B10R0.78 CCCNC(=O)NNC(C)C 512a_100000741168_100020643023 [0,1,0,0,0,0|3,0,0]=4 1548 B10R0.78 CCCNC(=O)NNC(C)C 512a_100020643023_100000741168 [0,1,0,0,0,0|3,0,0]=4 1549 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [0,1,0,0,0,0|2,0,1]=4 1550 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [0,1,0,0,0,0|2,0,1]=4 1551 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,1,0,0,0,0|1,0,0]=2 1552 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,1,0,0,0,0|1,0,0]=2 1553 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,1,0,0,0,0|1,0,0]=2 1554 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,1,0,0,0,0|1,0,0]=2 1555 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,1,0,0,0,0|1,0,0]=2 1556 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,1,0,0,0,0|2,0,1]=4 1557 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,1,0,0,0,0|2,0,0]=3 1558 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [0,1,0,0,0,0|1,0,1]=3 1559 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [0,1,0,0,0,0|1,0,1]=3 1560 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [0,1,0,0,0,0|1,0,1]=3 1561 B10R0.78 CCCOC(C)CNC(C)C 2230a_100015185124_100000210206 [0,1,0,0,0,0|2,0,1]=4 1562 B10R0.78 CCCOC(C)CNC(C)C 34a_100015185124_100000210206 [0,1,0,0,0,0|2,0,1]=4 1563 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [0,1,0,0,0,0|1,1,1]=4 1564 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [0,1,0,0,0,0|1,1,1]=4 1565 B10R0.78 CCNCC(=O)NCC(C)C 2230a_100015525214_100000183291 [0,1,0,0,0,0|2,0,0]=3 1566 B10R0.78 CCNN=C(C)CCC(C)C 4a_100000756455_100000210476 [0,1,0,0,0,0|2,0,0]=3 1567 B10R0.78 CCNNC(=O)C=CC(C)C 22a_100000756455_100016268746 [0,1,0,0,0,0|1,0,2]=4 1568 B10R0.78 CCNNC(=O)CC=C(C)C 22a_100000756455_100011220947 [0,1,0,0,0,0|1,0,2]=4 1569 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [0,1,0,0,0,0|1,0,0]=2 1570 B10R0.78 CCNNC(=O)CCN(C)C 22a_100000756455_100000689311 [0,1,0,0,0,0|2,0,0]=3 1571 B10R0.78 CCNNC(=O)CC[S+](C)C 22a_100000756455_100009452791 [0,1,0,0,0,0|2,0,0]=3 1572 B10R0.78 CCNNC(=O)COC(C)C 22a_100000756455_100000745533 [0,1,0,0,0,0|2,0,0]=3 1573 B10R0.78 CCNNC(=O)CSC(C)C 22a_100000756455_100000241585 [0,1,0,0,0,0|2,0,0]=3 1574 B10R0.78 CCNNC(=O)NCC(C)C 273464a_100000210953_100000756455 [0,1,0,0,0,0|2,0,0]=3 1575 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000210953_100000756455 [0,1,0,0,0,0|2,0,0]=3 1576 B10R0.78 CCNNC(=O)NCC(C)C 512a_100000756455_100000210953 [0,1,0,0,0,0|2,0,0]=3 1577 B10R0.78 CCNNC(=O)NCC(C)O 273464a_100000210904_100000756455 [0,1,0,0,0,0|3,0,0]=4 1578 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000210904_100000756455 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.78 CCNNC(=O)NCC(C)O 512a_100000756455_100000210904 [0,1,0,0,0,0|3,0,0]=4 1580 B10R0.78 CCNNC(=O)NNC(C)C 512a_100000741168_100000756455 [0,1,0,0,0,0|3,0,0]=4 1581 B10R0.78 CCNNC(=O)NNC(C)C 512a_100000756455_100000741168 [0,1,0,0,0,0|3,0,0]=4 1582 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,1,0,0,0,0|0,0,2]=3 1583 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,1,0,0,0,0|0,0,0]=1 1584 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,1,0,0,0,0|1,0,0]=2 1585 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,0|2,0,1]=4 1586 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,1,0,0,0,0|1,0,0]=2 1587 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,1,0,0,0,0|1,0,0]=2 1588 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,1,0,0,0,0|1,0,0]=2 1589 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,1,0,0,0,0|1,0,0]=2 1590 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,1,0,0,0,0|1,0,0]=2 1591 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,1,0,0,0,0|2,0,0]=3 1592 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,1,0,0,0,0|2,0,0]=3 1593 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,1,0,0,0,0|2,0,0]=3 1594 B10R0.78 CCOCC(=O)NCC(F)F 11a_100000765723_100000211967 [0,1,0,0,0,0|3,0,0]=4 1595 B10R0.78 CCOCC(=O)NCC(F)F 1626a_100000765723_100000211967 [0,1,0,0,0,0|3,0,0]=4 1596 B10R0.78 CCOCC(=O)NCC(F)F 240690a_100000765723_100000211967 [0,1,0,0,0,0|3,0,0]=4 1597 B10R0.78 CCOCC(=O)NCC(F)F 527a_100000765723_100000211967 [0,1,0,0,0,0|3,0,0]=4 1598 B10R0.78 CCOCC(=O)NNC(C)C 22a_100000741168_100000211967 [0,1,0,0,0,0|2,0,0]=3 1599 B10R0.78 CCOCC(C)OCC(C)C 34a_100000718985_100000210624 [0,1,0,0,0,0|2,0,1]=4 1600 B10R0.78 CCOCC(C)OCC(C)C 7a_100000718985_100000210760 [0,1,0,0,0,0|2,0,1]=4 1601 B10R0.78 CCOCC(O)CNC(C)C 2230a_102515437182_100000210206 [0,1,0,0,0,0|1,0,2]=4 1602 B10R0.78 CCOCC(O)CNC(C)C 34a_102515437182_100000210206 [0,1,0,0,0,0|1,0,2]=4 1603 B10R0.78 CCOCN(C)CCC(C)C 269982a_100000742789_100000739092 [0,1,0,0,0,0|2,0,0]=3 1604 B10R0.78 CCOCN(C)CCN(C)C 269982a_100000225618_100000739092 [0,1,0,0,0,0|3,0,0]=4 1605 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,1,0,0,0,0|0,1,2]=4 1606 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [0,1,0,0,0,0|0,1,0]=2 1607 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [0,1,0,0,0,0|1,1,0]=3 1608 B10R0.78 CCSCC(=O)NCC(C)C 11a_100000210953_100000230394 [0,1,0,0,0,0|1,1,0]=3 1609 B10R0.78 CCSCC(=O)NCC(C)C 1626a_100000210953_100000230394 [0,1,0,0,0,0|1,1,0]=3 1610 B10R0.78 CCSCC(=O)NCC(C)C 240690a_100000210953_100000230394 [0,1,0,0,0,0|1,1,0]=3 1611 B10R0.78 CCSCC(=O)NCC(C)C 527a_100000210953_100000230394 [0,1,0,0,0,0|1,1,0]=3 1612 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000183291_100000210202 [0,1,0,0,0,0|1,1,0]=3 1613 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000210202_100000183291 [0,1,0,0,0,0|1,1,0]=3 1614 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [0,1,0,0,0,0|2,1,0]=4 1615 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [0,1,0,0,0,0|2,1,0]=4 1616 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [0,1,0,0,0,0|2,1,0]=4 1617 B10R0.78 CCSCC(=O)NNC(C)C 22a_100000741168_100000230394 [0,1,0,0,0,0|2,1,0]=4 1618 B10R0.78 CN(C)CCC(=O)NCC#N 527a_100000734998_100000689311 [0,1,0,0,0,0|2,0,1]=4 1619 B10R0.78 CN(C)CCC(=O)NCCF 11a_100000724931_100000689311 [0,1,0,0,0,0|2,0,0]=3 1620 B10R0.78 CN(C)CCC(=O)NCCF 240690a_100000724931_100000689311 [0,1,0,0,0,0|2,0,0]=3 1621 B10R0.78 CN(C)CCC(=O)NCCF 527a_100000724931_100000689311 [0,1,0,0,0,0|2,0,0]=3 1622 B10R0.78 CN(C)CCC(=O)NCCO 240690a_100000210304_100000689311 [0,1,0,0,0,0|2,0,0]=3 1623 B10R0.78 CN(C)CCC(=O)NCCO 527a_100000210304_100000689311 [0,1,0,0,0,0|2,0,0]=3 1624 B10R0.78 COC=CC(=O)CCC(C)C 1458a_100016268678_100000210312 [0,1,0,0,0,0|1,0,1]=3 1625 B10R0.78 COC=CC(=O)CCC(C)O 1458a_100016268678_100012276601 [0,1,0,0,0,0|2,0,1]=4 1626 B10R0.78 COC=CC(=O)NCC(C)C 1626a_100000210953_100016268678 [0,1,0,0,0,0|2,0,1]=4 1627 B10R0.78 COC=CC(=O)NCC(C)C 240690a_100000210953_100016268678 [0,1,0,0,0,0|2,0,1]=4 1628 B10R0.78 COCCC(=O)C=CC(C)C 1458a_100016268746_100000233755 [0,1,0,0,0,0|1,0,2]=4 1629 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,1,0,0,0,0|1,0,2]=4 1630 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,1,0,0,0,0|1,0,2]=4 1631 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [0,1,0,0,0,0|1,0,0]=2 1632 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [0,1,0,0,0,0|1,0,0]=2 1633 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [0,1,0,0,0,0|2,0,0]=3 1634 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [0,1,0,0,0,0|2,0,0]=3 1635 B10R0.78 COCCC(=O)COC(C)C 1458a_100000745533_100000233755 [0,1,0,0,0,0|2,0,0]=3 1636 B10R0.78 COCCC(=O)CSC(C)C 1458a_100000241585_100000233755 [0,1,0,0,0,0|2,0,0]=3 1637 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [0,1,0,0,0,0|2,0,0]=3 1638 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [0,1,0,0,0,0|2,0,0]=3 1639 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [0,1,0,0,0,0|2,0,0]=3 1640 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [0,1,0,0,0,0|2,0,0]=3 1641 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [0,1,0,0,0,0|3,0,0]=4 1642 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [0,1,0,0,0,0|3,0,0]=4 1643 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [0,1,0,0,0,0|3,0,0]=4 1644 B10R0.78 COCCC(=O)NNC(C)C 22a_100000741168_100000749529 [0,1,0,0,0,0|3,0,0]=4 1645 B10R0.78 COCCN(C)CCC(C)C 2230a_100000742789_100011201679 [0,1,0,0,0,0|3,0,0]=4 1646 B10R0.78 COCCN(C)CCC(C)C 2230a_100000743101_100000210312 [0,1,0,0,0,0|3,0,0]=4 1647 B10R0.78 COCCN(C)CCC(C)C 269982a_100000742789_100000233755 [0,1,0,0,0,0|3,0,0]=4 1648 B10R0.78 COCCN(C)CCC(C)C 269982a_100000743101_100000210312 [0,1,0,0,0,0|3,0,0]=4 1649 B10R0.78 COCNC(C)CCC(C)C 2230a_100138410893_100000766300 [0,1,0,0,0,0|2,0,1]=4 1650 B10R0.78 COCO[C@H](C)COC(C)C 34a_100016172286_100000210206 [0,1,0,0,0,0|2,0,1]=4 1651 B10R0.78 COCO[C@H](C)COC(C)C 7a_100016172286_100000210206 [0,1,0,0,0,0|2,0,1]=4 1652 B10R0.78 COCSC(C)CCC(C)C 62a_100000766300_100011261404 [0,1,0,0,0,0|1,1,1]=4 1653 B10R0.78 COCSC(C)CCC(C)C 62a_100011261404_100000766300 [0,1,0,0,0,0|1,1,1]=4 1654 B10R0.78 CSCCC(=O)C=CC(C)C 1458a_100016268746_100000751147 [0,1,0,0,0,0|1,0,2]=4 1655 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,1,0,0,0,0|1,0,2]=4 1656 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,1,0,0,0,0|1,0,2]=4 1657 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [0,1,0,0,0,0|1,0,0]=2 1658 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [0,1,0,0,0,0|1,0,0]=2 1659 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [0,1,0,0,0,0|2,0,0]=3 1660 B10R0.78 CSCCC(=O)CC[S+](C)C 1458a_100009452791_100000751147 [0,1,0,0,0,0|2,0,0]=3 1661 B10R0.78 CSCCC(=O)COC(C)C 1458a_100000745533_100000751147 [0,1,0,0,0,0|2,0,0]=3 1662 B10R0.78 CSCCC(=O)CSC(C)C 1458a_100000241585_100000751147 [0,1,0,0,0,0|2,0,0]=3 1663 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [0,1,0,0,0,0|2,0,0]=3 1664 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [0,1,0,0,0,0|2,0,0]=3 1665 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [0,1,0,0,0,0|2,0,0]=3 1666 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [0,1,0,0,0,0|2,0,0]=3 1667 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [0,1,0,0,0,0|3,0,0]=4 1668 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [0,1,0,0,0,0|3,0,0]=4 1669 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [0,1,0,0,0,0|3,0,0]=4 1670 B10R0.78 CSCCC(=O)NNC(C)C 22a_100000741168_100000174002 [0,1,0,0,0,0|3,0,0]=4 1671 B10R0.78 CSCCN(C)CCC(C)C 2230a_100000686725_100000210312 [0,1,0,0,0,0|3,0,0]=4 1672 B10R0.78 CSCCN(C)CCC(C)C 2230a_100000742789_100000751147 [0,1,0,0,0,0|3,0,0]=4 1673 B10R0.78 CSCCN(C)CCC(C)C 269982a_100000686725_100000210312 [0,1,0,0,0,0|3,0,0]=4 1674 B10R0.78 CSCCN(C)CCC(C)C 269982a_100000742789_100000212216 [0,1,0,0,0,0|3,0,0]=4 1675 B10R0.78 CSCNC(C)CCC(C)C 2230a_100138410893_100011218213 [0,1,0,0,0,0|2,0,1]=4 1676 B10R0.78 CSCOC(C)CCC(C)C 34a_100011215350_100011218213 [0,1,0,0,0,0|1,0,1]=3 1677 B10R0.78 CSCSC(C)CCC(C)C 62a_100011218213_100011261404 [0,1,0,0,0,0|1,1,1]=4 1678 B10R0.78 CSCSC(C)CCC(C)C 62a_100011261404_100011218213 [0,1,0,0,0,0|1,1,1]=4 1679 B10R0.78 C[S+](C)CCC(=O)CCC#N 1458a_100009452791_100011215226 [0,1,0,0,0,0|2,0,1]=4 1680 B10R0.78 C[S+](C)CCC(=O)CCCF 1458a_100009452791_100011934791 [0,1,0,0,0,0|2,0,0]=3 1681 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [0,1,0,0,0,0|2,0,0]=3 1682 B10R0.78 C[S+](C)CCC(=O)NCC#N 1626a_100000734998_100009452791 [0,1,0,0,0,0|2,0,1]=4 1683 B10R0.78 C[S+](C)CCC(=O)NCCF 11a_100000724931_100009452791 [0,1,0,0,0,0|2,0,0]=3 1684 B10R0.78 C[S+](C)CCC(=O)NCCF 1626a_100000724931_100009452791 [0,1,0,0,0,0|2,0,0]=3 1685 B10R0.78 C[S+](C)CCC(=O)NCCF 240690a_100000724931_100009452791 [0,1,0,0,0,0|2,0,0]=3 1686 B10R0.78 C[S+](C)CCC(=O)NCCO 240690a_100000210304_100009452791 [0,1,0,0,0,0|2,0,0]=3 1687 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,0,0|1,0,1]=3 1688 B10R0.96 C=C(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748629 [0,1,0,0,0,0|2,0,1]=4 1689 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,1,0,0,0,0|2,0,1]=4 1690 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,1,0,0,0,0|2,0,1]=4 1691 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,0,0|1,0,2]=4 1692 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,0,0|1,0,2]=4 1693 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,1,0,0,0,0|1,0,2]=4 1694 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,1,0,0,0,0|1,0,2]=4 1695 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,1,0,0,0,0|1,0,2]=4 1696 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,1,0,0,0,0|1,0,2]=4 1697 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,1,0,0,0,0|1,0,2]=4 1698 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,1,0,0,0,0|1,0,2]=4 1699 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,1,0,0,0,0|1,0,2]=4 1700 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,1,0,0,0,0|1,0,1]=3 1701 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,1,0,0,0,0|1,0,1]=3 1702 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,1,0,0,0,0|1,0,1]=3 1703 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,1,0,0,0,0|2,0,1]=4 1704 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,1,0,0,0,0|2,0,1]=4 1705 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,1,0,0,0,0|2,0,1]=4 1706 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,1,0,0,0,0|2,0,1]=4 1707 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,1,0,0,0,0|2,0,1]=4 1708 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,1,0,0,0,0|2,0,1]=4 1709 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,1,0,0,0,0|2,0,1]=4 1710 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,1,0,0,0,0|2,0,1]=4 1711 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,1,0,0,0,0|2,0,1]=4 1712 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,1,0,0,0,0|2,0,1]=4 1713 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,1,0,0,0,0|2,0,1]=4 1714 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,0,0|1,0,2]=4 1715 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,0,0|1,0,2]=4 1716 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,0,0|1,0,2]=4 1717 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,0,0|1,0,2]=4 1718 B10R0.96 CC(=CCC(=O)NC(C)C)C 11a_100138425928_100011220947 [0,1,0,0,0,0|1,0,2]=4 1719 B10R0.96 CC(=CCC(=O)NC(C)C)C 1626a_100138425928_100011220947 [0,1,0,0,0,0|1,0,2]=4 1720 B10R0.96 CC(=CCC(=O)NC(C)C)C 240690a_100138425928_100011220947 [0,1,0,0,0,0|1,0,2]=4 1721 B10R0.96 CC(=CCC(=O)NC(C)C)C 527a_100138425928_100011220947 [0,1,0,0,0,0|1,0,2]=4 1722 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,0|1,0,1]=3 1725 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,0|2,0,1]=4 1726 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,1,0,0,0,0|2,0,1]=4 1727 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,1,0,0,0,0|1,0,2]=4 1728 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,1,0,0,0,0|1,0,2]=4 1729 B10R0.96 CC(C)C=CC(=O)NC(C)C 11a_100138425928_100016268746 [0,1,0,0,0,0|1,0,2]=4 1730 B10R0.96 CC(C)C=CC(=O)NC(C)C 1626a_100138425928_100016268746 [0,1,0,0,0,0|1,0,2]=4 1731 B10R0.96 CC(C)C=CC(=O)NC(C)C 240690a_100138425928_100016268746 [0,1,0,0,0,0|1,0,2]=4 1732 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,0|2,0,0]=3 1733 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,1,0,0,0,0|2,0,0]=3 1734 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,1,0,0,0,0|2,0,0]=3 1735 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,1,0,0,0,0|2,0,0]=3 1736 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,1,0,0,0,0|3,0,0]=4 1737 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,1,0,0,0,0|3,0,0]=4 1738 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,1,0,0,0,0|3,0,0]=4 1739 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.96 CC(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210312 [0,1,0,0,0,0|2,0,1]=4 1741 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,1,0,0,0,0|2,0,1]=4 1742 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,1,0,0,0,0|2,0,1]=4 1743 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,0,0,0,0|2,0,1]=4 1744 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,0,0|1,0,0]=2 1745 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,0,0|1,0,0]=2 1746 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,0|1,0,0]=2 1747 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,1,0,0,0,0|2,0,0]=3 1748 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,1,0,0,0,0|2,0,0]=3 1749 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,0|1,0,0]=2 1750 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,1,0,0,0,0|3,0,0]=4 1751 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,1,0,0,0,0|2,0,0]=3 1752 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,0,0|1,0,0]=2 1753 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,0,0|1,0,0]=2 1754 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,0,0|1,0,0]=2 1755 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,0,0|1,0,0]=2 1756 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138410893_100000210206 [0,1,0,0,0,0|2,0,1]=4 1757 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138425928_100011261404 [0,1,0,0,0,0|2,0,1]=4 1758 B10R0.96 CC(C)CCC(C)NC(C)C 34a_100138425928_100011261404 [0,1,0,0,0,0|2,0,1]=4 1759 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,1,0,0,0,0|1,0,1]=3 1760 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,1,0,0,0,0|1,0,1]=3 1761 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,1,0,0,0,0|1,0,1]=3 1762 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100000210206_100011261404 [0,1,0,0,0,0|1,1,1]=4 1763 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100011261404_100000210206 [0,1,0,0,0,0|1,1,1]=4 1764 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [0,1,0,0,0,0|3,0,0]=4 1765 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [0,1,0,0,0,0|3,0,0]=4 1766 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [0,1,0,0,0,0|3,0,0]=4 1767 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [0,1,0,0,0,0|3,0,0]=4 1768 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [0,1,0,0,0,0|3,0,0]=4 1769 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,1,0,0,0,0|3,0,0]=4 1770 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,1,0,0,0,0|3,0,0]=4 1771 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,1,0,0,0,0|3,0,0]=4 1772 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,1,0,0,0,0|3,0,0]=4 1773 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,1,0,0,0,0|3,0,0]=4 1774 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,1,0,0,0,0|3,0,0]=4 1775 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,1,0,0,0,0|2,0,0]=3 1776 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,1,0,0,0,0|2,0,0]=3 1777 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,1,0,0,0,0|2,0,0]=3 1778 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,1,0,0,0,0|2,0,0]=3 1779 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,1,0,0,0,0|3,0,0]=4 1780 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,1,0,0,0,0|3,0,0]=4 1781 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,1,0,0,0,0|3,0,0]=4 1782 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,1,0,0,0,0|3,0,0]=4 1783 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,1,0,0,0,0|3,0,0]=4 1784 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,1,0,0,0,0|2,0,0]=3 1785 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,1,0,0,0,0|3,0,0]=4 1786 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,1,0,0,0,0|3,0,0]=4 1787 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,1,0,0,0,0|3,0,0]=4 1788 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,1,0,0,0,0|3,0,0]=4 1789 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,1,0,0,0,0|2,0,0]=3 1790 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,1,0,0,0,0|2,0,0]=3 1791 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,1,0,0,0,0|2,0,0]=3 1792 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,1,0,0,0,0|2,0,0]=3 1793 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,1,0,0,0,0|2,0,0]=3 1794 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [0,1,0,0,0,0|2,0,0]=3 1795 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [0,1,0,0,0,0|2,0,0]=3 1796 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [0,1,0,0,0,0|2,0,0]=3 1797 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [0,1,0,0,0,0|2,0,0]=3 1798 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [0,1,0,0,0,0|2,0,0]=3 1799 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [0,1,0,0,0,0|2,0,0]=3 1800 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [0,1,0,0,0,0|2,0,0]=3 1801 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [0,1,0,0,0,0|2,0,0]=3 1802 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [0,1,0,0,0,0|2,0,0]=3 1803 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [0,1,0,0,0,0|2,0,0]=3 1804 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [0,1,0,0,0,0|2,0,0]=3 1805 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [0,1,0,0,0,0|2,0,0]=3 1806 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [0,1,0,0,0,0|2,0,0]=3 1807 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [0,1,0,0,0,0|2,0,0]=3 1808 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [0,1,0,0,0,0|2,0,0]=3 1809 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [0,1,0,0,0,0|2,0,0]=3 1810 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [0,1,0,0,0,0|2,0,0]=3 1811 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [0,1,0,0,0,0|2,0,0]=3 1812 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [0,1,0,0,0,0|2,0,0]=3 1813 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [0,1,0,0,0,0|2,0,0]=3 1814 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [0,1,0,0,0,0|2,0,0]=3 1815 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [0,1,0,0,0,0|2,0,0]=3 1816 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,1,0,0,0,0|1,0,0]=2 1817 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,1,0,0,0,0|1,0,0]=2 1818 B10R0.96 CC(C)NNC(=O)C[C@@H](C)O 22a_100000741168_100011933948 [0,1,0,0,0,0|3,0,0]=4 1819 B10R0.96 CC(C)NNC(=O)NC(C)C 273464a_100138425928_100000741168 [0,1,0,0,0,0|3,0,0]=4 1820 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100000741168_100138425928 [0,1,0,0,0,0|3,0,0]=4 1821 B10R0.96 CC(C)NNC(=O)NC(C)C 512a_100138425928_100000741168 [0,1,0,0,0,0|3,0,0]=4 1822 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,1,0,0,0,0|1,0,0]=2 1823 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,1,0,0,0,0|1,0,0]=2 1824 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,1,0,0,0,0|1,0,0]=2 1825 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,1,0,0,0,0|1,0,0]=2 1826 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,1,0,0,0,0|2,0,0]=3 1827 B10R0.96 CC(C)OCC(=O)CC(F)F 1458a_100000745533_100011934356 [0,1,0,0,0,0|3,0,0]=4 1828 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,1,0,0,0,0|1,0,0]=2 1829 B10R0.96 CC(C)SCC(=O)CC(F)F 1458a_100000241585_100011934356 [0,1,0,0,0,0|3,0,0]=4 1830 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,1,0,0,0,0|2,0,0]=3 1831 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,1,0,0,0,0|2,0,0]=3 1832 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,1,0,0,0,0|2,0,0]=3 1833 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,1,0,0,0,0|3,0,0]=4 1834 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,0|2,0,0]=3 1835 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,1,0,0,0,0|3,0,0]=4 1836 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,0|2,0,0]=3 1837 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,1,0,0,0,0|3,0,0]=4 1838 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,1,0,0,0,0|3,0,0]=4 1839 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,1,0,0,0,0|3,0,0]=4 1840 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,1,0,0,0,0|3,0,0]=4 1841 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,1,0,0,0,0|3,0,0]=4 1842 B10R0.96 C[S+](C)CCC(=O)CC(F)F 1458a_100009452791_100011934356 [0,1,0,0,0,0|3,0,0]=4 1843 B10R0.105 CC(C)CCC(C)(C)OCF 7a_200011218267_100015361967 [0,1,0,0,0,0|2,0,1]=4 1844 B10R0.105 CCCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211391 [0,1,0,0,0,0|3,0,0]=4 1845 B10R0.105 CCCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211391 [0,1,0,0,0,0|3,0,0]=4 1846 B10R0.105 CCCS(=O)(=O)NCC(C)C 40a_100000210953_100000054278 [0,1,0,0,0,0|3,0,0]=4 1847 B10R0.105 CCNS(=O)(=O)CCC(C)C 270084a_100015525214_100000750698 [0,1,0,0,0,0|2,0,0]=3 1848 B10R0.105 CCNS(=O)(=O)CCC(C)C 274078a_100015525214_100000750698 [0,1,0,0,0,0|2,0,0]=3 1849 B10R0.105 CCOC(C)(C)CCC(C)C 34a_100121572206_200000037585 [0,1,0,0,0,0|1,0,1]=3 1850 B10R0.105 CCOC(C)(C)CCC(C)C 7a_200011218267_100000210202 [0,1,0,0,0,0|1,0,1]=3 1851 B10R0.105 CCO[Si](C)(C)CSC(C)C 62a_100000210206_200000065227 [0,1,0,0,0,0|2,1,0]=4 1852 B10R0.105 CCO[Si](C)(C)CSC(C)C 62a_200000065227_100000210206 [0,1,0,0,0,0|2,1,0]=4 1853 B10R0.105 CCSC(C)(C)CCC(C)C 62a_100000210202_200000037585 [0,1,0,0,0,0|1,1,1]=4 1854 B10R0.105 CCSC(C)(C)CCC(C)C 62a_200000037585_100000210202 [0,1,0,0,0,0|1,1,1]=4 1855 B10R0.108 C#CC(C)NCC(=O)CCC 2230a_100000707721_100000747444 [0,1,0,0,0,0|2,0,1]=4 1856 B10R0.108 C#CC(C)NCC(=O)NCC 2230a_100000707721_100000183381 [0,1,0,0,0,0|2,0,1]=4 1857 B10R0.108 C#CC(C)NCC(=O)NCC 34a_100000707721_100000183381 [0,1,0,0,0,0|2,0,1]=4 1858 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,1,0,0,0,0|1,0,1]=3 1859 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,1,0,0,0,0|1,0,1]=3 1860 B10R0.108 C#CC(C)SCC(=O)CCC 62a_200000035995_100000747444 [0,1,0,0,0,0|2,0,1]=4 1861 B10R0.108 C#CC(C)SCC(=O)NCC 62a_200000035995_100000183381 [0,1,0,0,0,0|2,0,1]=4 1862 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,1,0,0,0,0|1,0,1]=3 1863 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [0,1,0,0,0,0|1,0,2]=4 1864 B10R0.108 C#C[C@@H](C)OCC(=O)CCC 7a_100009815206_100000747444 [0,1,0,0,0,0|2,0,1]=4 1865 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 34a_100009815206_100000183381 [0,1,0,0,0,0|2,0,1]=4 1866 B10R0.108 C#C[C@@H](C)OCC(=O)NCC 7a_100009815206_100000183381 [0,1,0,0,0,0|2,0,1]=4 1867 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,1,0,0,0,0|1,0,1]=3 1868 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,1,0,0,0,0|1,0,1]=3 1869 B10R0.108 C=CC(C)OCC(=O)NCC 34a_100000695699_100000183381 [0,1,0,0,0,0|2,0,1]=4 1870 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,1,0,0,0,0|1,0,1]=3 1871 B10R0.108 C=CC(C)SCC(=O)CCC 62a_100011215867_100000747444 [0,1,0,0,0,0|2,0,1]=4 1872 B10R0.108 C=CC(C)SCC(=O)NCC 62a_100011215867_100000183381 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,1,0,0,0,0|1,0,1]=3 1874 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,1,0,0,0,0|1,0,2]=4 1875 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,1,0,0,0,0|1,0,2]=4 1876 B10R0.108 C=COC(=O)CN[C@H](C)CO 2230a_100000737577_100000036128 [0,1,0,0,0,0|1,0,2]=4 1877 B10R0.108 C=COC(=O)COC(C)CF 34a_100016041109_100000036128 [0,1,0,0,0,0|1,0,2]=4 1878 B10R0.108 C=COC(=O)COC(C)CN 34a_100000210904_100000036128 [0,1,0,0,0,0|1,0,2]=4 1879 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,1,0,0,0,0|1,0,2]=4 1880 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,1,0,0,0,0|1,0,2]=4 1881 B10R0.108 C=COC(=O)CSC(C)CO 62a_100012180447_100000036128 [0,1,0,0,0,0|1,0,2]=4 1882 B10R0.108 C=COC(=O)CSC(C)OC 62a_100000036128_100009879195 [0,1,0,0,0,0|1,0,2]=4 1883 B10R0.108 C=COC(=O)CSC(C)OC 62a_100009879195_100000036128 [0,1,0,0,0,0|1,0,2]=4 1884 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100000036128_100016084084 [0,1,0,0,0,0|1,0,2]=4 1885 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100016084084_100000036128 [0,1,0,0,0,0|1,0,2]=4 1886 B10R0.108 CC(CF)OCC(=O)NCO 34a_100016041109_100000185155 [0,1,0,0,0,0|3,0,0]=4 1887 B10R0.108 CC(CF)OCC(=O)NCO 7a_100016041109_100000185155 [0,1,0,0,0,0|3,0,0]=4 1888 B10R0.108 CC(CN)OCC(=O)NCO 34a_100000210904_100000185155 [0,1,0,0,0,0|3,0,0]=4 1889 B10R0.108 CC(CO)CNC(=O)CCO 240690a_100000744482_100011216618 [0,1,0,0,0,0|3,0,0]=4 1890 B10R0.108 CC(CO)SCC(=O)NCO 62a_100012180447_100000185155 [0,1,0,0,0,0|3,0,0]=4 1891 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,1,0,0,0,0|2,0,1]=4 1892 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,1,0,0,0,0|2,0,1]=4 1893 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,1,0,0,0,0|2,0,1]=4 1894 B10R0.108 CC=CC(=O)NCC(C)CO 240690a_100000744482_100000210699 [0,1,0,0,0,0|2,0,1]=4 1895 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000210699 [0,1,0,0,0,0|2,0,1]=4 1896 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210699 [0,1,0,0,0,0|2,0,1]=4 1897 B10R0.108 CC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210699 [0,1,0,0,0,0|2,0,1]=4 1898 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [0,1,0,0,0,0|2,0,1]=4 1899 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,1,0,0,0,0|2,0,0]=3 1900 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,1,0,0,0,0|2,0,0]=3 1901 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,1,0,0,0,0|2,0,0]=3 1902 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [0,1,0,0,0,0|2,0,1]=4 1903 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,1,0,0,0,0|3,0,0]=4 1904 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 1905 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 1908 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 1909 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 1910 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 1911 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 1912 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,1,0,0,0,0|3,0,0]=4 1913 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,1,0,0,0,0|3,0,0]=4 1914 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,1,0,0,0,0|3,0,0]=4 1915 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,1,0,0,0,0|3,0,0]=4 1916 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,1,0,0,0,0|3,0,0]=4 1917 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,1,0,0,0,0|3,0,0]=4 1918 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,1,0,0,0,0|3,0,0]=4 1919 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,1,0,0,0,0|3,0,0]=4 1920 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,1,0,0,0,0|2,0,1]=4 1921 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,0|2,0,1]=4 1922 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,0|1,0,0]=2 1923 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,1,0,0,0,0|2,0,0]=3 1924 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,1,0,0,0,0|3,0,0]=4 1925 B10R0.108 CCCC(=O)CNC(C)C#N 2230a_100000737613_100000747444 [0,1,0,0,0,0|2,0,1]=4 1926 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,1,0,0,0,0|2,0,0]=3 1927 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,1,0,0,0,0|2,0,0]=3 1928 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,1,0,0,0,0|2,0,0]=3 1929 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,1,0,0,0,0|2,0,0]=3 1930 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000703298_100000747444 [0,1,0,0,0,0|2,0,1]=4 1931 B10R0.108 CCCC(=O)CSC(C)C#N 62a_100000747444_100000703298 [0,1,0,0,0,0|2,0,1]=4 1932 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,1,0,0,0,0|2,0,0]=3 1933 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,1,0,0,0,0|2,0,0]=3 1934 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,1,0,0,0,0|2,0,0]=3 1935 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,1,0,0,0,0|2,0,0]=3 1936 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,1,0,0,0,0|2,0,0]=3 1937 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,1,0,0,0,0|2,0,0]=3 1938 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,1,0,0,0,0|2,0,0]=3 1939 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 1940 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 1941 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 1942 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 1943 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,1,0,0,0,0|2,0,0]=3 1944 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,1,0,0,0,0|2,0,0]=3 1945 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,1,0,0,0,0|3,0,0]=4 1946 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,1,0,0,0,0|3,0,0]=4 1947 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,1,0,0,0,0|3,0,0]=4 1948 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,1,0,0,0,0|2,0,0]=3 1949 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,1,0,0,0,0|2,0,0]=3 1950 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,1,0,0,0,0|2,0,0]=3 1951 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,1,0,0,0,0|2,0,0]=3 1952 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,1,0,0,0,0|3,0,0]=4 1953 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,1,0,0,0,0|3,0,0]=4 1954 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,1,0,0,0,0|3,0,0]=4 1955 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,1,0,0,0,0|3,0,0]=4 1956 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,1,0,0,0,0|3,0,0]=4 1957 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,1,0,0,0,0|3,0,0]=4 1958 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,1,0,0,0,0|3,0,0]=4 1959 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,1,0,0,0,0|2,0,1]=4 1960 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [0,1,0,0,0,0|3,0,0]=4 1961 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,1,0,0,0,0|3,0,0]=4 1962 B10R0.108 CCN(C)CCC(=O)NNC 22a_100016993582_100000755305 [0,1,0,0,0,0|3,0,0]=4 1963 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,1,0,0,0,0|2,0,1]=4 1964 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,1,0,0,0,0|2,0,1]=4 1965 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 1966 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,1,0,0,0,0|2,0,1]=4 1967 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 1968 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 1969 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 1970 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 1971 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 1972 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 1973 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 1974 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,0,0,0,0|1,0,0]=2 1975 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,0,0,0,0|1,0,0]=2 1976 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,0,0,0,0|1,0,0]=2 1977 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,0|2,0,0]=3 1978 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,1,0,0,0,0|2,0,0]=3 1979 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,1,0,0,0,0|2,0,0]=3 1980 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,1,0,0,0,0|2,0,0]=3 1981 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,1,0,0,0,0|3,0,0]=4 1982 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,1,0,0,0,0|3,0,0]=4 1983 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,1,0,0,0,0|3,0,0]=4 1984 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100000737613_100000183381 [0,1,0,0,0,0|2,0,1]=4 1985 B10R0.108 CCNC(=O)CNC(C)C#N 2230a_100016988866_100000184139 [0,1,0,0,0,0|2,0,1]=4 1986 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,1,0,0,0,0|2,0,0]=3 1987 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,1,0,0,0,0|2,0,0]=3 1988 B10R0.108 CCNC(=O)CNC(C)CO 2230a_100016988866_100012180447 [0,1,0,0,0,0|2,0,0]=3 1989 B10R0.108 CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183381 [0,1,0,0,0,0|2,0,0]=3 1990 B10R0.108 CCNC(=O)COC(C)C#N 34a_100011218135_100000183381 [0,1,0,0,0,0|2,0,1]=4 1991 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,1,0,0,0,0|2,0,0]=3 1992 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,1,0,0,0,0|2,0,0]=3 1993 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,1,0,0,0,0|2,0,0]=3 1994 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,1,0,0,0,0|2,0,0]=3 1995 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000183381_100000703298 [0,1,0,0,0,0|2,0,1]=4 1996 B10R0.108 CCNC(=O)CSC(C)C#N 62a_100000703298_100000183381 [0,1,0,0,0,0|2,0,1]=4 1997 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,1,0,0,0,0|2,0,0]=3 1998 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,1,0,0,0,0|2,0,0]=3 1999 B10R0.108 CCNC(=O)CSC(C)CO 62a_100012180447_100000183381 [0,1,0,0,0,0|2,0,0]=3 2000 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,1,0,0,0,0|2,0,0]=3 2001 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,1,0,0,0,0|2,0,0]=3 2002 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100000183381_100016084084 [0,1,0,0,0,0|2,0,0]=3 2003 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183381 [0,1,0,0,0,0|2,0,0]=3 2004 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,1,0,0,0,0|2,0,0]=3 2005 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,1,0,0,0,0|2,0,0]=3 2006 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,1,0,0,0,0|2,0,0]=3 2007 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,1,0,0,0,0|2,0,0]=3 2008 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,1,0,0,0,0|2,0,0]=3 2009 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,1,0,0,0,0|2,0,0]=3 2010 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,1,0,0,0,0|2,0,0]=3 2011 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,1,0,0,0,0|2,0,0]=3 2012 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,1,0,0,0,0|2,0,0]=3 2013 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,1,0,0,0,0|2,0,0]=3 2014 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,1,0,0,0,0|2,0,0]=3 2015 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,1,0,0,0,0|3,0,0]=4 2016 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,1,0,0,0,0|3,0,0]=4 2017 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,1,0,0,0,0|3,0,0]=4 2018 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,1,0,0,0,0|3,0,0]=4 2019 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,1,0,0,0,0|2,0,0]=3 2020 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,1,0,0,0,0|2,0,0]=3 2021 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,1,0,0,0,0|2,0,0]=3 2022 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,1,0,0,0,0|2,0,0]=3 2023 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,1,0,0,0,0|2,0,0]=3 2024 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,1,0,0,0,0|2,0,0]=3 2025 B10R0.108 CCNC(=O)NC[C@@H](F)CO 2708a_100015525214_100015665980 [0,1,0,0,0,0|3,0,0]=4 2026 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015525214_100015665980 [0,1,0,0,0,0|3,0,0]=4 2027 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100015525214 [0,1,0,0,0,0|3,0,0]=4 2028 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015525214_100015665980 [0,1,0,0,0,0|3,0,0]=4 2029 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100015525214 [0,1,0,0,0,0|3,0,0]=4 2030 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,1,0,0,0,0|3,0,0]=4 2031 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,1,0,0,0,0|3,0,0]=4 2032 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,1,0,0,0,0|3,0,0]=4 2033 B10R0.108 CCNC(=O)NNC(C)CC 273464a_100015525214_100000718999 [0,1,0,0,0,0|3,0,0]=4 2034 B10R0.108 CCNC(=O)NNC(C)CC 512a_100000718999_100015525214 [0,1,0,0,0,0|3,0,0]=4 2035 B10R0.108 CCNC(=O)NNC(C)CC 512a_100015525214_100000718999 [0,1,0,0,0,0|3,0,0]=4 2036 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,0|1,0,1]=3 2037 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,0|1,0,1]=3 2038 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,0|1,0,1]=3 2039 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,0|1,0,1]=3 2040 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,0|1,0,1]=3 2041 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,0|0,0,0]=1 2042 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,0|0,0,0]=1 2043 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,0|0,0,0]=1 2044 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,0|0,0,0]=1 2045 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,0|0,0,0]=1 2046 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,0|0,0,0]=1 2047 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,0|0,0,0]=1 2048 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,0|0,0,0]=1 2049 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,0|1,0,0]=2 2050 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,0|1,0,0]=2 2051 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,0|1,0,0]=2 2052 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,0|1,0,0]=2 2053 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,0|1,0,0]=2 2054 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,0|1,0,0]=2 2055 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,0|1,0,0]=2 2056 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,0|1,0,0]=2 2057 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,0|1,0,0]=2 2058 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,0|2,0,1]=4 2059 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,0|2,0,1]=4 2060 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,1,0,0,0,0|1,0,1]=3 2061 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,0|1,0,0]=2 2062 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,0|1,0,0]=2 2063 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,1,0,0,0,0|1,0,1]=3 2064 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,0|1,0,0]=2 2065 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,0|1,0,0]=2 2066 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,0|1,0,0]=2 2067 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,0|1,0,0]=2 2068 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,1,0,0,0,0|1,0,1]=3 2069 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,1,0,0,0,0|1,0,1]=3 2070 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,0|1,0,0]=2 2071 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,0|1,0,0]=2 2072 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,0|1,0,0]=2 2073 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,0|1,0,0]=2 2074 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,0|1,0,0]=2 2075 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,1,0,0,0,0|2,0,1]=4 2076 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,1,0,0,0,0|2,0,1]=4 2077 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,0|1,0,0]=2 2078 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,0|1,0,0]=2 2079 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,0|2,0,1]=4 2080 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,0|2,0,1]=4 2081 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,0|2,0,1]=4 2082 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 2083 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 2084 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 2085 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,1,0,0,0,0|1,0,1]=3 2086 B10R0.108 CNNC(=O)NCC(C)CO 273464a_100000744482_100016993582 [0,1,0,0,0,0|3,0,0]=4 2087 B10R0.108 CNNC(=O)NCC(C)CO 512a_100000744482_100016993582 [0,1,0,0,0,0|3,0,0]=4 2088 B10R0.108 CNNC(=O)NCC(C)CO 512a_100016993582_100000744482 [0,1,0,0,0,0|3,0,0]=4 2089 B10R0.108 CNNC(=O)NC[C@@H](C)OC 273464a_100020591295_100016993582 [0,1,0,0,0,0|3,0,0]=4 2090 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100016993582_100020591295 [0,1,0,0,0,0|3,0,0]=4 2091 B10R0.108 CNNC(=O)NC[C@@H](C)OC 512a_100020591295_100016993582 [0,1,0,0,0,0|3,0,0]=4 2092 B10R0.108 COC(C)SCC(=O)NCO 62a_100000185155_100009879195 [0,1,0,0,0,0|3,0,0]=4 2093 B10R0.108 COC(C)SCC(=O)NCO 62a_100009879195_100000185155 [0,1,0,0,0,0|3,0,0]=4 2094 B10R0.108 COCC(=O)NCC(C)CO 240690a_100000744482_100000210968 [0,1,0,0,0,0|3,0,0]=4 2095 B10R0.108 COCC(=O)NCC(C)CO 527a_100000744482_100000210968 [0,1,0,0,0,0|3,0,0]=4 2096 B10R0.108 COCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210968 [0,1,0,0,0,0|3,0,0]=4 2097 B10R0.108 COCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210968 [0,1,0,0,0,0|3,0,0]=4 2098 B10R0.108 COCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210968 [0,1,0,0,0,0|3,0,0]=4 2099 B10R0.108 COCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210968 [0,1,0,0,0,0|3,0,0]=4 2100 B10R0.108 CO[C@H](C)CNC(=O)CCO 240690a_100020591295_100011216618 [0,1,0,0,0,0|3,0,0]=4 2101 B10R0.108 CO[C@H](C)CNC(=O)CSC 11a_100020591295_100000184570 [0,1,0,0,0,0|3,0,0]=4 2102 B10R0.108 CO[C@H](C)CNC(=O)CSC 1626a_100020591295_100000184570 [0,1,0,0,0,0|3,0,0]=4 2103 B10R0.108 CO[C@H](C)CNC(=O)CSC 240690a_100020591295_100000184570 [0,1,0,0,0,0|3,0,0]=4 2104 B10R0.108 CO[C@H](C)CNC(=O)CSC 527a_100020591295_100000184570 [0,1,0,0,0,0|3,0,0]=4 2105 B10R0.108 CSCC(=O)NCC(C)CO 240690a_100000744482_100000184570 [0,1,0,0,0,0|3,0,0]=4 2106 B10R0.108 CSCC(=O)NCC(C)CO 527a_100000744482_100000184570 [0,1,0,0,0,0|3,0,0]=4 2107 B10R0.108 C[C@H](CO)NCC(=O)NCO 2230a_100000737577_100000185155 [0,1,0,0,0,0|3,0,0]=4 2108 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100000185155_100016084084 [0,1,0,0,0,0|3,0,0]=4 2109 B10R0.108 C[C@H](CO)SCC(=O)NCO 62a_100016084084_100000185155 [0,1,0,0,0,0|3,0,0]=4 2110 B10R0.109 C#CCC(=O)CCC(C)(C)C 1458a_100000757465_100000184674 [0,1,0,0,0,0|1,0,2]=4 2111 B10R0.109 C#CCC(=O)CCC(C)(C)C 1458a_100011220946_100000755188 [0,1,0,0,0,0|1,0,2]=4 2112 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000210193_100000755188 [0,1,0,0,0,0|1,0,2]=4 2113 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210623 [0,1,0,0,0,0|1,0,2]=4 2114 B10R0.109 C=COC(=O)CNC(C)(C)C 2230a_100000715429_100000036128 [0,1,0,0,0,0|1,0,2]=4 2115 B10R0.109 C=COC(=O)COC(C)(C)C 34a_100015890283_100000036128 [0,1,0,0,0,0|1,0,2]=4 2116 B10R0.109 C=COC(=O)CSC(C)(C)C 62a_100000036128_100000211941 [0,1,0,0,0,0|1,0,2]=4 2117 B10R0.109 C=COC(=O)CSC(C)(C)C 62a_100000211941_100000036128 [0,1,0,0,0,0|1,0,2]=4 2118 B10R0.109 CC#CC(=O)CCC(C)(C)C 1458a_100000763181_100000755188 [0,1,0,0,0,0|1,0,1]=3 2119 B10R0.109 CC#CC(=O)CC[N+](C)(C)C 1458a_100000763181_100000085578 [0,1,0,0,0,0|2,0,1]=4 2120 B10R0.109 CC#CC(=O)CC[Si](C)(C)C 1458a_100000763181_200000733723 [0,1,0,0,0,0|1,1,1]=4 2121 B10R0.109 CC(C)(C)CCC(=O)C=CBr 1458a_100016273825_100000755188 [0,1,0,0,0,0|2,0,1]=4 2122 B10R0.109 CC(C)(C)CCC(=O)C=CCl 1458a_200016279998_100000755188 [0,1,0,0,0,0|2,0,1]=4 2123 B10R0.109 CC(C)(C)CCC(=O)C=CI 1458a_100016256311_100000755188 [0,1,0,0,0,0|2,0,1]=4 2124 B10R0.109 CC(C)(C)CCC(=O)CC#N 1458a_100000757465_100011214920 [0,1,0,0,0,0|2,0,1]=4 2125 B10R0.109 CC(C)(C)CCC(=O)CC#N 1458a_100051588842_100000755188 [0,1,0,0,0,0|2,0,1]=4 2126 B10R0.109 CC(C)(C)CCC(=O)CCF 1458a_100000757465_100011217306 [0,1,0,0,0,0|2,0,0]=3 2127 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100000757465_100000211926 [0,1,0,0,0,0|2,0,0]=3 2128 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100011216618_100000755188 [0,1,0,0,0,0|2,0,0]=3 2129 B10R0.109 CC(C)(C)CNC(=O)CCO 240690a_100000743828_100011216618 [0,1,0,0,0,0|3,0,0]=4 2130 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200010402935_200025704644 [0,1,0,0,0,0|3,0,0]=4 2131 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200025704644_200010402935 [0,1,0,0,0,0|3,0,0]=4 2132 B10R0.109 CC(C)(C)NCC(=O)NCO 2230a_100000715429_100000185155 [0,1,0,0,0,0|3,0,0]=4 2133 B10R0.109 CC(C)(C)OCC(=O)CCF 1458a_100000686494_100011217306 [0,1,0,0,0,0|3,0,0]=4 2134 B10R0.109 CC(C)(C)OCC(=O)CCO 1458a_100000686494_100000211926 [0,1,0,0,0,0|3,0,0]=4 2135 B10R0.109 CC(C)(C)OCC(=O)NCO 34a_100015890283_100000185155 [0,1,0,0,0,0|3,0,0]=4 2136 B10R0.109 CC(C)(C)OCC(=O)NCO 7a_100015890283_100000185155 [0,1,0,0,0,0|3,0,0]=4 2137 B10R0.109 CC(C)(C)SCC(=O)NCO 62a_100000185155_100000211941 [0,1,0,0,0,0|3,0,0]=4 2138 B10R0.109 CC(C)(C)SCC(=O)NCO 62a_100000211941_100000185155 [0,1,0,0,0,0|3,0,0]=4 2139 B10R0.109 CC(C)(F)CNC(=O)CCO 240690a_100020643315_100011216618 [0,1,0,0,0,0|3,0,0]=4 2140 B10R0.109 CC(C)(O)CNC(=O)CCO 240690a_100000751335_100011216618 [0,1,0,0,0,0|3,0,0]=4 2141 B10R0.109 CC(F)(F)CCC(=O)CCF 1458a_100000030992_100011217306 [0,1,0,0,0,0|3,0,0]=4 2142 B10R0.109 CC(F)(F)CCC(=O)CCO 1458a_100000030992_100000211926 [0,1,0,0,0,0|3,0,0]=4 2143 B10R0.109 CC=CC(=O)CCC(C)(C)C 1458a_100000210699_100000755188 [0,1,0,0,0,0|1,0,1]=3 2144 B10R0.109 CC=CC(=O)CC[N+](C)(C)C 1458a_100000210699_100000085578 [0,1,0,0,0,0|2,0,1]=4 2145 B10R0.109 CC=CC(=O)CC[Si](C)(C)C 1458a_100000210699_200000733723 [0,1,0,0,0,0|1,1,1]=4 2146 B10R0.109 CC=CC(=O)NCC(C)(C)C 11a_100000743828_100000210699 [0,1,0,0,0,0|2,0,1]=4 2147 B10R0.109 CC=CC(=O)NCC(C)(C)C 1626a_100000743828_100000210699 [0,1,0,0,0,0|2,0,1]=4 2148 B10R0.109 CC=CC(=O)NCC(C)(C)C 240690a_100000743828_100000210699 [0,1,0,0,0,0|2,0,1]=4 2149 B10R0.109 CC=CC(=O)NCC(C)(C)F 11a_100020643315_100000210699 [0,1,0,0,0,0|2,0,1]=4 2150 B10R0.109 CC=CC(=O)NCC(C)(C)F 1626a_100020643315_100000210699 [0,1,0,0,0,0|2,0,1]=4 2151 B10R0.109 CC=CC(=O)NCC(C)(C)F 240690a_100020643315_100000210699 [0,1,0,0,0,0|2,0,1]=4 2152 B10R0.109 CC=CC(=O)NCC(C)(C)O 1626a_100000751335_100000210699 [0,1,0,0,0,0|2,0,1]=4 2153 B10R0.109 CC=CC(=O)NCC(C)(C)O 240690a_100000751335_100000210699 [0,1,0,0,0,0|2,0,1]=4 2154 B10R0.109 CCCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210303 [0,1,0,0,0,0|1,0,2]=4 2155 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,1,0,0,0,0|1,0,0]=2 2156 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,1,0,0,0,0|1,0,0]=2 2157 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,1,0,0,0,0|2,0,0]=3 2158 B10R0.109 CCCC(=O)CCC(F)(F)F 1458a_100000211992_100011219754 [0,1,0,0,0,0|3,0,0]=4 2159 B10R0.109 CCCC(=O)CCC(F)(F)F 1458a_100000755318_100000210303 [0,1,0,0,0,0|3,0,0]=4 2160 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,1,0,0,0,0|3,0,0]=4 2161 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,1,0,0,0,0|3,0,0]=4 2162 B10R0.109 CCCC(=O)CC[N+](C)(C)C 1458a_100000211992_100000085578 [0,1,0,0,0,0|2,0,0]=3 2163 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100000211992_200000733723 [0,1,0,0,0,0|1,1,0]=3 2164 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210303 [0,1,0,0,0,0|1,1,0]=3 2165 B10R0.109 CCCC(=O)CNC(C)(C)C 2230a_100000715429_100000747444 [0,1,0,0,0,0|2,0,0]=3 2166 B10R0.109 CCCC(=O)COC(C)(C)C 1458a_100000686494_100000210303 [0,1,0,0,0,0|2,0,0]=3 2167 B10R0.109 CCCC(=O)COC(C)(C)C 7a_100015890283_100000747444 [0,1,0,0,0,0|2,0,0]=3 2168 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000211941_100000747444 [0,1,0,0,0,0|2,0,0]=3 2169 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000747444_100000211941 [0,1,0,0,0,0|2,0,0]=3 2170 B10R0.109 CCCC(=O)NCC(C)(C)C 11a_100000743828_100000211992 [0,1,0,0,0,0|2,0,0]=3 2171 B10R0.109 CCCC(=O)NCC(C)(C)C 1626a_100000743828_100000211992 [0,1,0,0,0,0|2,0,0]=3 2172 B10R0.109 CCCC(=O)NCC(C)(C)C 240690a_100000743828_100000211992 [0,1,0,0,0,0|2,0,0]=3 2173 B10R0.109 CCCC(=O)NCC(C)(C)C 527a_100000743828_100000211992 [0,1,0,0,0,0|2,0,0]=3 2174 B10R0.109 CCCC(=O)NCC(C)(C)F 11a_100020643315_100000211992 [0,1,0,0,0,0|2,0,0]=3 2175 B10R0.109 CCCC(=O)NCC(C)(C)F 1626a_100020643315_100000211992 [0,1,0,0,0,0|2,0,0]=3 2176 B10R0.109 CCCC(=O)NCC(C)(C)F 240690a_100020643315_100000211992 [0,1,0,0,0,0|2,0,0]=3 2177 B10R0.109 CCCC(=O)NCC(C)(C)F 527a_100020643315_100000211992 [0,1,0,0,0,0|2,0,0]=3 2178 B10R0.109 CCCC(=O)NCC(C)(C)O 1626a_100000751335_100000211992 [0,1,0,0,0,0|2,0,0]=3 2179 B10R0.109 CCCC(=O)NCC(C)(C)O 240690a_100000751335_100000211992 [0,1,0,0,0,0|2,0,0]=3 2180 B10R0.109 CCCC(=O)NCC(C)(C)O 527a_100000751335_100000211992 [0,1,0,0,0,0|2,0,0]=3 2181 B10R0.109 CCCC(=O)NCC(C)(F)F 11a_100000731000_100000211992 [0,1,0,0,0,0|3,0,0]=4 2182 B10R0.109 CCCC(=O)NCC(C)(F)F 1626a_100000731000_100000211992 [0,1,0,0,0,0|3,0,0]=4 2183 B10R0.109 CCCC(=O)NCC(C)(F)F 240690a_100000731000_100000211992 [0,1,0,0,0,0|3,0,0]=4 2184 B10R0.109 CCCC(=O)NCC(C)(F)F 527a_100000731000_100000211992 [0,1,0,0,0,0|3,0,0]=4 2185 B10R0.109 CCCC(=O)NC[Si](C)(C)C 11a_102516607284_100000211992 [0,1,0,0,0,0|2,1,0]=4 2186 B10R0.109 CCCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000211992 [0,1,0,0,0,0|2,1,0]=4 2187 B10R0.109 CCCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000211992 [0,1,0,0,0,0|2,1,0]=4 2188 B10R0.109 CCCC(=O)NC[Si](C)(C)C 527a_102516607284_100000211992 [0,1,0,0,0,0|2,1,0]=4 2189 B10R0.109 CCCC(=O)NNC(C)(C)C 22a_100000725372_100000211992 [0,1,0,0,0,0|3,0,0]=4 2190 B10R0.109 CCCN(C)CCC(C)(C)C 2230a_100000747261_100000755188 [0,1,0,0,0,0|3,0,0]=4 2191 B10R0.109 CCCN(C)CCC(C)(C)C 269982a_100000747261_100000755188 [0,1,0,0,0,0|3,0,0]=4 2192 B10R0.109 CCCN(C)CCC(C)(C)O 2230a_100000747261_100000702414 [0,1,0,0,0,0|3,0,0]=4 2193 B10R0.109 CCNC(=O)C#CC(C)(C)C 240690a_100015525214_100011966651 [0,1,0,0,0,0|1,0,2]=4 2194 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,1,0,0,0,0|1,0,0]=2 2195 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,1,0,0,0,0|1,0,0]=2 2196 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,1,0,0,0,0|1,0,0]=2 2197 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,1,0,0,0,0|2,0,0]=3 2198 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,1,0,0,0,0|2,0,0]=3 2199 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,1,0,0,0,0|2,0,0]=3 2200 B10R0.109 CCNC(=O)CCC(F)(F)F 11a_100015525214_100000755318 [0,1,0,0,0,0|3,0,0]=4 2201 B10R0.109 CCNC(=O)CCC(F)(F)F 240690a_100015525214_100000755318 [0,1,0,0,0,0|3,0,0]=4 2202 B10R0.109 CCNC(=O)CCC(F)(F)F 527a_100015525214_100000755318 [0,1,0,0,0,0|3,0,0]=4 2203 B10R0.109 CCNC(=O)CCS(=O)(=O)C 11a_100015525214_100000737124 [0,1,0,0,0,0|3,0,0]=4 2204 B10R0.109 CCNC(=O)CCS(=O)(=O)C 240690a_100015525214_100000737124 [0,1,0,0,0,0|3,0,0]=4 2205 B10R0.109 CCNC(=O)CCS(=O)(=O)C 527a_100015525214_100000737124 [0,1,0,0,0,0|3,0,0]=4 2206 B10R0.109 CCNC(=O)CC[Si](C)(C)C 240690a_100015525214_100011215282 [0,1,0,0,0,0|1,1,0]=3 2207 B10R0.109 CCNC(=O)CC[Si](C)(C)C 527a_100015525214_100011215282 [0,1,0,0,0,0|1,1,0]=3 2208 B10R0.109 CCNC(=O)CNC(C)(C)C 2230a_100000715429_100000183381 [0,1,0,0,0,0|2,0,0]=3 2209 B10R0.109 CCNC(=O)COC(C)(C)C 11a_100015525214_100000686494 [0,1,0,0,0,0|2,0,0]=3 2210 B10R0.109 CCNC(=O)COC(C)(C)C 240690a_100015525214_100000686494 [0,1,0,0,0,0|2,0,0]=3 2211 B10R0.109 CCNC(=O)COC(C)(C)C 34a_100015890283_100000183381 [0,1,0,0,0,0|2,0,0]=3 2212 B10R0.109 CCNC(=O)COC(C)(C)C 527a_100015525214_100000686494 [0,1,0,0,0,0|2,0,0]=3 2213 B10R0.109 CCNC(=O)COC(C)(C)C 7a_100015890283_100000183381 [0,1,0,0,0,0|2,0,0]=3 2214 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000183381_100000211941 [0,1,0,0,0,0|2,0,0]=3 2215 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000211941_100000183381 [0,1,0,0,0,0|2,0,0]=3 2216 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100000743828_100015525214 [0,1,0,0,0,0|2,0,0]=3 2217 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100015525214_100000743828 [0,1,0,0,0,0|2,0,0]=3 2218 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100000743828_100015525214 [0,1,0,0,0,0|2,0,0]=3 2219 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100015525214_100000743828 [0,1,0,0,0,0|2,0,0]=3 2220 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100000743828_100015525214 [0,1,0,0,0,0|2,0,0]=3 2221 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100015525214_100000743828 [0,1,0,0,0,0|2,0,0]=3 2222 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100015525214_100020643315 [0,1,0,0,0,0|2,0,0]=3 2223 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100020643315_100015525214 [0,1,0,0,0,0|2,0,0]=3 2224 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100015525214_100020643315 [0,1,0,0,0,0|2,0,0]=3 2225 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100020643315_100015525214 [0,1,0,0,0,0|2,0,0]=3 2226 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100015525214_100020643315 [0,1,0,0,0,0|2,0,0]=3 2227 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100020643315_100015525214 [0,1,0,0,0,0|2,0,0]=3 2228 B10R0.109 CCNC(=O)NCC(C)(C)O 2708a_100015525214_100000751335 [0,1,0,0,0,0|2,0,0]=3 2229 B10R0.109 CCNC(=O)NCC(C)(C)O 273464a_100015525214_100000751335 [0,1,0,0,0,0|2,0,0]=3 2230 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100000751335_100015525214 [0,1,0,0,0,0|2,0,0]=3 2231 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100015525214_100000751335 [0,1,0,0,0,0|2,0,0]=3 2232 B10R0.109 CCNC(=O)NCC(C)(F)F 2708a_100015525214_100000731000 [0,1,0,0,0,0|3,0,0]=4 2233 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100000731000_100015525214 [0,1,0,0,0,0|3,0,0]=4 2234 B10R0.109 CCNC(=O)NCC(C)(F)F 273464a_100015525214_100000731000 [0,1,0,0,0,0|3,0,0]=4 2235 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100000731000_100015525214 [0,1,0,0,0,0|3,0,0]=4 2236 B10R0.109 CCNC(=O)NCC(C)(F)F 512a_100015525214_100000731000 [0,1,0,0,0,0|3,0,0]=4 2237 B10R0.109 CCNC(=O)NC[Si](C)(C)C 2708a_100015525214_102516607284 [0,1,0,0,0,0|2,1,0]=4 2238 B10R0.109 CCNC(=O)NC[Si](C)(C)C 2708a_102516607284_100015525214 [0,1,0,0,0,0|2,1,0]=4 2239 B10R0.109 CCNC(=O)NC[Si](C)(C)C 273464a_100015525214_102516607284 [0,1,0,0,0,0|2,1,0]=4 2240 B10R0.109 CCNC(=O)NC[Si](C)(C)C 273464a_102516607284_100015525214 [0,1,0,0,0,0|2,1,0]=4 2241 B10R0.109 CCNC(=O)NC[Si](C)(C)C 512a_100015525214_102516607284 [0,1,0,0,0,0|2,1,0]=4 2242 B10R0.109 CCNC(=O)NC[Si](C)(C)C 512a_102516607284_100015525214 [0,1,0,0,0,0|2,1,0]=4 2243 B10R0.109 CCNC(=O)NNC(C)(C)C 273464a_100015525214_100000725372 [0,1,0,0,0,0|3,0,0]=4 2244 B10R0.109 CCNC(=O)NNC(C)(C)C 512a_100000725372_100015525214 [0,1,0,0,0,0|3,0,0]=4 2245 B10R0.109 CCNC(=O)NNC(C)(C)C 512a_100015525214_100000725372 [0,1,0,0,0,0|3,0,0]=4 2246 B10R0.109 CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000188475 [0,1,0,0,0,0|1,0,0]=2 2247 B10R0.109 CCOC(=O)COC(C)(C)C 34a_100015890283_100000188475 [0,1,0,0,0,0|1,0,0]=2 2248 B10R0.109 CCOC(=O)COC(C)(C)C 7a_100015890283_100000188475 [0,1,0,0,0,0|1,0,0]=2 2249 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000188475_100000211941 [0,1,0,0,0,0|1,0,0]=2 2250 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000211941_100000188475 [0,1,0,0,0,0|1,0,0]=2 2251 B10R0.109 CCOC(=O)CSC(F)(F)F 62a_100000188475_200103152311 [0,1,0,0,0,0|3,0,0]=4 2252 B10R0.109 CCOC(=O)CSC(F)(F)F 62a_200000243211_100000188475 [0,1,0,0,0,0|3,0,0]=4 2253 B10R0.109 CCOC(C)COC(C)(C)C 7a_100011215624_100000210202 [0,1,0,0,0,0|2,0,1]=4 2254 B10R0.109 CNCC(=O)OCC(C)(C)C 2230a_106832991635_200010402935 [0,1,0,0,0,0|3,0,0]=4 2255 B10R0.109 CNCC(=O)OCC(C)(C)C 34a_100102657272_200010402935 [0,1,0,0,0,0|3,0,0]=4 2256 B10R0.109 CNCC(=O)OCC(C)(C)C 7a_106832991635_200010402935 [0,1,0,0,0,0|3,0,0]=4 2257 B10R0.109 CNNC(=O)CCC(C)(C)C 22a_100016993582_100000757465 [0,1,0,0,0,0|2,0,0]=3 2258 B10R0.109 CNNC(=O)CCC(C)(F)F 22a_100016993582_100000030992 [0,1,0,0,0,0|3,0,0]=4 2259 B10R0.109 CNNC(=O)CC[Si](C)(C)C 22a_100016993582_100011215282 [0,1,0,0,0,0|2,1,0]=4 2260 B10R0.109 CNNC(=O)COC(C)(C)C 22a_100016993582_100000686494 [0,1,0,0,0,0|3,0,0]=4 2261 B10R0.109 CNNC(=O)NCC(C)(C)C 273464a_100000743828_100016993582 [0,1,0,0,0,0|3,0,0]=4 2262 B10R0.109 CNNC(=O)NCC(C)(C)C 512a_100000743828_100016993582 [0,1,0,0,0,0|3,0,0]=4 2263 B10R0.109 CNNC(=O)NCC(C)(C)C 512a_100016993582_100000743828 [0,1,0,0,0,0|3,0,0]=4 2264 B10R0.109 CNNC(=O)NCC(C)(C)F 273464a_100020643315_100016993582 [0,1,0,0,0,0|3,0,0]=4 2265 B10R0.109 CNNC(=O)NCC(C)(C)F 512a_100016993582_100020643315 [0,1,0,0,0,0|3,0,0]=4 2266 B10R0.109 CNNC(=O)NCC(C)(C)F 512a_100020643315_100016993582 [0,1,0,0,0,0|3,0,0]=4 2267 B10R0.109 CNNC(=O)NCC(C)(C)O 512a_100000751335_100016993582 [0,1,0,0,0,0|3,0,0]=4 2268 B10R0.109 CNNC(=O)NCC(C)(C)O 512a_100016993582_100000751335 [0,1,0,0,0,0|3,0,0]=4 2269 B10R0.109 COCC(=O)CCC(C)(C)C 1458a_100000210968_100000755188 [0,1,0,0,0,0|2,0,0]=3 2270 B10R0.109 COCC(=O)CC[N+](C)(C)C 1458a_100000210968_100000085578 [0,1,0,0,0,0|3,0,0]=4 2271 B10R0.109 COCC(=O)CC[Si](C)(C)C 1458a_100000210968_200000733723 [0,1,0,0,0,0|2,1,0]=4 2272 B10R0.109 COCC(=O)NCC(C)(C)C 11a_100000743828_100000210968 [0,1,0,0,0,0|3,0,0]=4 2273 B10R0.109 COCC(=O)NCC(C)(C)C 1626a_100000743828_100000210968 [0,1,0,0,0,0|3,0,0]=4 2274 B10R0.109 COCC(=O)NCC(C)(C)C 240690a_100000743828_100000210968 [0,1,0,0,0,0|3,0,0]=4 2275 B10R0.109 COCC(=O)NCC(C)(C)C 527a_100000743828_100000210968 [0,1,0,0,0,0|3,0,0]=4 2276 B10R0.109 COCC(=O)NCC(C)(C)F 11a_100020643315_100000210968 [0,1,0,0,0,0|3,0,0]=4 2277 B10R0.109 COCC(=O)NCC(C)(C)F 1626a_100020643315_100000210968 [0,1,0,0,0,0|3,0,0]=4 2278 B10R0.109 COCC(=O)NCC(C)(C)F 240690a_100020643315_100000210968 [0,1,0,0,0,0|3,0,0]=4 2279 B10R0.109 COCC(=O)NCC(C)(C)F 527a_100020643315_100000210968 [0,1,0,0,0,0|3,0,0]=4 2280 B10R0.109 COCC(=O)NCC(C)(C)O 1626a_100000751335_100000210968 [0,1,0,0,0,0|3,0,0]=4 2281 B10R0.109 COCC(=O)NCC(C)(C)O 240690a_100000751335_100000210968 [0,1,0,0,0,0|3,0,0]=4 2282 B10R0.109 COCC(=O)NCC(C)(C)O 527a_100000751335_100000210968 [0,1,0,0,0,0|3,0,0]=4 2283 B10R0.109 COCC(=O)OCC(C)(C)C 34a_100138415774_200010402935 [0,1,0,0,0,0|3,0,0]=4 2284 B10R0.109 CSCC(=O)CCC(C)(C)C 1458a_100000184570_100000755188 [0,1,0,0,0,0|2,0,0]=3 2285 B10R0.109 CSCC(=O)CC[N+](C)(C)C 1458a_100000184570_100000085578 [0,1,0,0,0,0|3,0,0]=4 2286 B10R0.109 CSCC(=O)CC[Si](C)(C)C 1458a_100000184570_200000733723 [0,1,0,0,0,0|2,1,0]=4 2287 B10R0.109 CSCC(=O)NCC(C)(C)C 11a_100000743828_100000184570 [0,1,0,0,0,0|3,0,0]=4 2288 B10R0.109 CSCC(=O)NCC(C)(C)C 1626a_100000743828_100000184570 [0,1,0,0,0,0|3,0,0]=4 2289 B10R0.109 CSCC(=O)NCC(C)(C)C 240690a_100000743828_100000184570 [0,1,0,0,0,0|3,0,0]=4 2290 B10R0.109 CSCC(=O)NCC(C)(C)C 527a_100000743828_100000184570 [0,1,0,0,0,0|3,0,0]=4 2291 B10R0.109 CSCC(=O)NCC(C)(C)F 11a_100020643315_100000184570 [0,1,0,0,0,0|3,0,0]=4 2292 B10R0.109 CSCC(=O)NCC(C)(C)F 1626a_100020643315_100000184570 [0,1,0,0,0,0|3,0,0]=4 2293 B10R0.109 CSCC(=O)NCC(C)(C)F 240690a_100020643315_100000184570 [0,1,0,0,0,0|3,0,0]=4 2294 B10R0.109 CSCC(=O)NCC(C)(C)F 527a_100020643315_100000184570 [0,1,0,0,0,0|3,0,0]=4 2295 B10R0.109 CSCC(=O)NCC(C)(C)O 1626a_100000751335_100000184570 [0,1,0,0,0,0|3,0,0]=4 2296 B10R0.109 CSCC(=O)NCC(C)(C)O 240690a_100000751335_100000184570 [0,1,0,0,0,0|3,0,0]=4 2297 B10R0.109 CSCC(=O)NCC(C)(C)O 527a_100000751335_100000184570 [0,1,0,0,0,0|3,0,0]=4 2298 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200000210301_200010402935 [0,1,0,0,0,0|3,0,0]=4 2299 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200010402935_200000210301 [0,1,0,0,0,0|3,0,0]=4 2300 B10R0.109 C[N+](C)(C)CCC(=O)CCO 1458a_100011216618_100000085578 [0,1,0,0,0,0|3,0,0]=4 2301 B10R0.109 C[Si](C)(C)CCC(=O)CCF 1458a_100011215282_100011217306 [0,1,0,0,0,0|2,1,0]=4 2302 B10R0.109 C[Si](C)(C)CCC(=O)CCO 1458a_100011215282_100000211926 [0,1,0,0,0,0|2,1,0]=4 2303 B10R0.109 C[Si](C)(C)CCC(=O)CCO 1458a_100011216618_200000733723 [0,1,0,0,0,0|2,1,0]=4 2304 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,0,0,1,0,0|2,0,1]=4 2305 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,0,0,1,0,0|2,0,1]=4 2306 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,0,0,1,0,0|3,0,0]=4 2307 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,0,0,1,0,0|3,0,0]=4 2308 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,0,0,1,0,0|3,0,0]=4 2309 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,0,0,1,0,0|2,0,1]=4 2310 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,0,0,1,0,0|2,0,1]=4 2311 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,0,0,1,0,0|2,0,1]=4 2312 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,0,0,1,0,0|1,0,1]=3 2313 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,0,0,1,0,0|1,0,1]=3 2314 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,0,0,1,0,0|1,0,1]=3 2315 B10R1.1 CCOC1CCN(CC1)C 2230a_100016990603_200000210301 [0,0,0,1,0,0|2,0,1]=4 2316 B10R1.1 CCOC1CCN(CC1)C 269982a_100016990603_200000210301 [0,0,0,1,0,0|2,0,1]=4 2317 B10R1.1 CCOC1CCN(CC1)C 34a_100016990603_200000210301 [0,0,0,1,0,0|2,0,1]=4 2318 B10R1.1 CCOC1CCN(CC1)[13CH3] 2230a_100016990603_200025704644 [0,0,0,1,0,0|2,0,1]=4 2319 B10R1.1 CCOC1CCN(CC1)[13CH3] 269982a_100016990603_200025704644 [0,0,0,1,0,0|2,0,1]=4 2320 B10R1.1 CCOC1CCN(CC1)[13CH3] 34a_100016990603_200025704644 [0,0,0,1,0,0|2,0,1]=4 2321 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,0,0,1,0,0|2,0,1]=4 2322 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,0,0,1,0,0|1,1,1]=4 2323 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 34a_100009815050_200025704644 [0,0,0,1,0,0|3,0,0]=4 2324 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 7a_100009815050_200025704644 [0,0,0,1,0,0|3,0,0]=4 2325 B10R1.43 CCN1C(CCC1(C)C)C 2230a_100015204717_100000210202 [0,0,0,1,0,0|2,0,1]=4 2326 B10R1.43 CCN1C(CCC1(C)C)C 269982a_100015204717_100000204670 [0,0,0,1,0,0|2,0,1]=4 2327 B10R1.43 CCN1C(CCC1(C)C)C 34a_100015204717_100000210202 [0,0,0,1,0,0|2,0,1]=4 2328 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 34a_100009815050_200000210301 [0,0,0,1,0,0|3,0,0]=4 2329 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 7a_100009815050_200000210301 [0,0,0,1,0,0|3,0,0]=4 2330 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,0|2,0,1]=4 2331 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2332 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2333 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2334 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2335 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2336 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2337 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,0,0,1,0,0|2,0,0]=3 2338 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,0,0,1,0,0|2,0,0]=3 2339 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,0,0,1,0,0|2,0,0]=3 2340 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,0,0,1,0,0|2,0,0]=3 2341 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,1,0,0|1,0,0]=2 2342 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,1,0,0|1,0,0]=2 2343 B10R1.64 CC(C)N[C@@H]1CONC1=O 2230a_100000765999_100000210206 [0,0,0,1,0,0|3,0,0]=4 2344 B10R1.64 CC(C)N[C@@H]1CONC1=O 34a_100000765999_100000210206 [0,0,0,1,0,0|3,0,0]=4 2345 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,0,0,1,0,0|2,0,0]=3 2346 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,0,0,1,0,0|2,0,0]=3 2347 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,0,0,1,0,0|1,0,0]=2 2348 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,0,0,1,0,0|2,0,0]=3 2349 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,0,0,1,0,0|2,0,0]=3 2350 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,0,0,1,0,0|2,0,0]=3 2351 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,0,0,1,0,0|1,0,0]=2 2352 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,0,0,1,0,0|1,0,0]=2 2353 B10R1.64 CN(C)CN1CCCC1=O 269982a_100102631434_100000026320 [0,0,0,1,0,0|3,0,0]=4 2354 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,0|2,0,1]=4 2355 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [0,0,0,1,0,0|3,0,0]=4 2356 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [0,0,0,1,0,0|3,0,0]=4 2357 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [0,0,0,1,0,0|2,0,1]=4 2358 B10R1.66 CC(C)NCC1=NCCN1 34a_100138425928_100000737910 [0,0,0,1,0,0|3,0,0]=4 2359 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [0,0,0,1,0,0|2,0,1]=4 2360 B10R1.66 CC(C)NCC1OCCO1 2230a_100000036311_100000210206 [0,0,0,1,0,0|1,0,2]=4 2361 B10R1.66 CC(C)NCC1OCCO1 2230a_100138425928_100000755774 [0,0,0,1,0,0|1,0,2]=4 2362 B10R1.66 CC(C)NCC1OCCO1 34a_100000036311_100000210206 [0,0,0,1,0,0|1,0,2]=4 2363 B10R1.66 CC(C)NCC1OCCO1 34a_100138425928_100000755774 [0,0,0,1,0,0|1,0,2]=4 2364 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [0,0,0,1,0,0|2,0,1]=4 2365 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [0,0,0,1,0,0|2,0,1]=4 2366 B10R1.66 CC(C)OCC1=NCCN1 34a_100000212225_100000737910 [0,0,0,1,0,0|3,0,0]=4 2367 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [0,0,0,1,0,0|2,0,1]=4 2368 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [0,0,0,1,0,0|2,0,1]=4 2369 B10R1.66 CC(C)OCC1OCCO1 34a_100000087154_100000210206 [0,0,0,1,0,0|1,0,2]=4 2370 B10R1.66 CC(C)OCC1OCCO1 34a_100000212225_100000755774 [0,0,0,1,0,0|1,0,2]=4 2371 B10R1.66 CC(C)SCC1=NCCN1 62a_100000210206_100000737910 [0,0,0,1,0,0|3,0,0]=4 2372 B10R1.66 CC(C)SCC1=NCCN1 62a_100000737910_100000210206 [0,0,0,1,0,0|3,0,0]=4 2373 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [0,0,0,1,0,0|2,0,1]=4 2374 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [0,0,0,1,0,0|2,0,1]=4 2375 B10R1.66 CC(C)SCC1OCCO1 62a_100000210206_100000755774 [0,0,0,1,0,0|1,0,2]=4 2376 B10R1.66 CC(C)SCC1OCCO1 62a_100000755774_100000210206 [0,0,0,1,0,0|1,0,2]=4 2377 B10R1.66 CN(C)CCC1OCCO1 2230a_100102631434_100000740749 [0,0,0,1,0,0|1,0,2]=4 2378 B10R1.66 CN(C)CCC1OCCO1 269982a_100102631434_100000740749 [0,0,0,1,0,0|1,0,2]=4 2379 B10R1.82 CC(C)CCN1CC(C1)C 2230a_100000702820_100000210312 [0,0,0,1,0,0|3,0,0]=4 2380 B10R1.82 CC(C)CCN1CC(C1)C 269982a_100000702820_100000210312 [0,0,0,1,0,0|3,0,0]=4 2381 B10R1.82 CC(C)CCN1CC(C1)C 34a_100000702820_100000210312 [0,0,0,1,0,0|3,0,0]=4 2382 B10R1.93 CCOC1CN(C1)C(C)C 269982a_100000732654_100000210206 [0,0,0,1,0,0|2,0,1]=4 2383 B10R1.93 CCOC1CN(C1)C(C)C 34a_100000732654_100000210206 [0,0,0,1,0,0|2,0,1]=4 2384 B10R1.95 CCCN1CCC(C1)(C)C 2230a_100000764714_100000210303 [0,0,0,1,0,0|3,0,0]=4 2385 B10R1.95 CCCN1CCC(C1)(C)C 269982a_100000764714_100000210303 [0,0,0,1,0,0|3,0,0]=4 2386 B10R1.95 CCNC1CCC(C1)(C)C 270004a_100015525214_100000759959 [0,0,0,1,0,0|2,0,1]=4 2387 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,0|2,0,1]=4 2388 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,0|2,0,1]=4 2389 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,0|2,0,1]=4 2390 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,0|2,0,1]=4 2391 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,0,0,1,0,0|2,0,0]=3 2392 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,0,0|1,0,0]=2 2393 B10R1.113 CC(C)N1CCOC(C1)O 2230a_100000688207_100000210206 [0,0,0,1,0,0|1,0,2]=4 2394 B10R1.113 CC(C)N1CCOC(C1)O 269982a_100000688207_100000210206 [0,0,0,1,0,0|1,0,2]=4 2395 B10R1.113 CC1=CCCN(C1)C(C)C 2230a_100000725631_100000210206 [0,0,0,1,0,0|3,0,0]=4 2396 B10R1.113 CC1=CCCN(C1)C(C)C 269982a_100000725631_100000210206 [0,0,0,1,0,0|3,0,0]=4 2397 B10R1.113 CC1=CCCN(C1)C(C)C 34a_100000725631_100000210206 [0,0,0,1,0,0|3,0,0]=4 2398 B10R1.113 CC1CC(CCO1)N(C)C 270004a_100102631434_100000755752 [0,0,0,1,0,0|2,0,1]=4 2399 B10R1.113 CC1CN(CCO1)C(C)C 2230a_100000729577_100000210206 [0,0,0,1,0,0|2,0,1]=4 2400 B10R1.113 CC1CN(CCO1)C(C)C 269982a_100000729577_100000210206 [0,0,0,1,0,0|2,0,1]=4 2401 B10R1.113 CC1CN(CCO1)C(C)C 34a_100000729577_100000210206 [0,0,0,1,0,0|2,0,1]=4 2402 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,0|2,0,1]=4 2403 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,0,0,1,0,0|3,0,0]=4 2404 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,0,0,1,0,0|3,0,0]=4 2405 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2406 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2407 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2408 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 2409 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 2410 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,0,0,1,0,0|3,0,0]=4 2411 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 2412 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 2413 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 2414 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 2415 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 2416 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,0,0,1,0,0|3,0,0]=4 2417 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [0,0,0,1,0,0|1,0,2]=4 2418 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [0,0,0,1,0,0|1,0,2]=4 2419 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,0,0,1,0,0|1,0,2]=4 2420 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,0,0,1,0,0|1,0,2]=4 2421 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,0,0,1,0,0|1,0,2]=4 2422 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,0,0,1,0,0|1,0,2]=4 2423 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,0,0,1,0,0|1,0,1]=3 2424 B10R1.138 CC#CC(=O)CCC1CO1 1458a_100000763181_100000732470 [0,0,0,1,0,0|2,0,1]=4 2425 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,0,0,1,0,0|1,0,1]=3 2426 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,0,0,1,0,0|2,0,1]=4 2427 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [0,0,0,1,0,0|2,0,1]=4 2428 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [0,0,0,1,0,0|2,0,1]=4 2429 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [0,0,0,1,0,0|2,0,1]=4 2430 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,0,0,1,0,0|1,0,2]=4 2431 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,0,1,0,0|1,0,0]=2 2432 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,0,1,0,0|1,0,0]=2 2433 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,0,0,1,0,0|2,0,0]=3 2434 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,0,0,1,0,0|2,0,0]=3 2435 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 2436 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 2437 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 2438 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 2439 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [0,0,0,1,0,0|3,0,0]=4 2440 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [0,0,0,1,0,0|3,0,0]=4 2441 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [0,0,0,1,0,0|3,0,0]=4 2442 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,0,0,1,0,0|1,0,2]=4 2443 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,0,0,1,0,0|1,0,2]=4 2444 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,0,1,0,0|1,0,0]=2 2445 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,0,1,0,0|1,0,0]=2 2446 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,0,1,0,0|1,0,0]=2 2447 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,0,0,1,0,0|2,0,0]=3 2448 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,0,0,1,0,0|2,0,0]=3 2449 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,0,0,1,0,0|2,0,0]=3 2450 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,0,0,1,0,0|2,0,0]=3 2451 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,0,0,1,0,0|2,0,0]=3 2452 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,0,0,1,0,0|2,0,0]=3 2453 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,0,0,1,0,0|2,0,0]=3 2454 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,0,0,1,0,0|2,0,0]=3 2455 B10R1.138 CCNC(=O)NNC1CC1 273464a_100015525214_100000701032 [0,0,0,1,0,0|3,0,0]=4 2456 B10R1.138 CCNC(=O)NNC1CC1 512a_100000701032_100015525214 [0,0,0,1,0,0|3,0,0]=4 2457 B10R1.138 CCNC(=O)NNC1CC1 512a_100015525214_100000701032 [0,0,0,1,0,0|3,0,0]=4 2458 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,0|1,0,0]=2 2459 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,0|1,0,0]=2 2460 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,0,0,1,0,0|2,0,0]=3 2461 B10R1.138 CNNC(=O)NCC1CC1 273464a_100000735609_100016993582 [0,0,0,1,0,0|3,0,0]=4 2462 B10R1.138 CNNC(=O)NCC1CC1 512a_100000735609_100016993582 [0,0,0,1,0,0|3,0,0]=4 2463 B10R1.138 CNNC(=O)NCC1CC1 512a_100016993582_100000735609 [0,0,0,1,0,0|3,0,0]=4 2464 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,0,0,1,0,0|2,0,0]=3 2465 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,0,0,1,0,0|3,0,0]=4 2466 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 2467 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 2468 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 2469 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 2470 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,0,0,1,0,0|2,0,0]=3 2471 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,0,0,1,0,0|3,0,0]=4 2472 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 2473 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 2474 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 2475 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 2476 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [0,0,0,1,0,0|2,0,1]=4 2477 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [0,0,0,1,0,0|2,0,1]=4 2478 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,0,0,1,0,0|2,0,1]=4 2479 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,0,0,1,0,0|2,0,1]=4 2480 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,0,0,1,0,0|2,0,1]=4 2481 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,0,0,1,0,0|2,0,0]=3 2482 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,0,0,1,0,0|2,0,0]=3 2483 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,0,0,1,0,0|2,0,0]=3 2484 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,0,0,1,0,0|3,0,0]=4 2485 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,0,0,1,0,0|3,0,0]=4 2486 B10R1.138 O=C(CNC1CC1)NCO 34a_100000212008_100000185155 [0,0,0,1,0,0|3,0,0]=4 2487 B10R1.138 O=C(CSC1CC1)NCO 62a_100000185155_100000211595 [0,0,0,1,0,0|3,0,0]=4 2488 B10R1.140 C#CCC(=O)C1CC(C1)C 1458a_100000686124_100000184674 [0,0,0,1,0,0|1,0,2]=4 2489 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,0,0,1,0,0|1,0,2]=4 2490 B10R1.140 C=C1CC(C1)C(=O)NCC 11a_100015525214_100000065620 [0,0,0,1,0,0|1,0,2]=4 2491 B10R1.140 C=C1CC(C1)C(=O)NCC 240690a_100015525214_100000065620 [0,0,0,1,0,0|1,0,2]=4 2492 B10R1.140 C=C1CC(C1)C(=O)NCC 527a_100015525214_100000065620 [0,0,0,1,0,0|1,0,2]=4 2493 B10R1.140 C=CCC(=O)C1CC(C1)C 1458a_100000686124_100000210623 [0,0,0,1,0,0|1,0,2]=4 2494 B10R1.140 CC1CC(C1)C(=O)CC#N 1458a_100000686124_100011214920 [0,0,0,1,0,0|2,0,1]=4 2495 B10R1.140 CC1CC(C1)C(=O)CCF 1458a_100000686124_100011217306 [0,0,0,1,0,0|2,0,0]=3 2496 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,0,0,1,0,0|2,0,0]=3 2497 B10R1.140 CC1CN(C1)C(=O)CCO 240690a_100000702820_100011216618 [0,0,0,1,0,0|3,0,0]=4 2498 B10R1.140 CC=CC(=O)N1CC(C1)C 11a_100000702820_100000210699 [0,0,0,1,0,0|2,0,1]=4 2499 B10R1.140 CC=CC(=O)N1CC(C1)C 240690a_100000702820_100000210699 [0,0,0,1,0,0|2,0,1]=4 2500 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,0,0|1,0,0]=2 2501 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,0,0,1,0,0|2,0,0]=3 2502 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,0,0,1,0,0|2,0,0]=3 2503 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 2504 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 2505 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 2506 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 2507 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 2508 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 2509 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 2510 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 2511 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 2512 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,0,0|2,0,0]=3 2513 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,0,0|1,0,0]=2 2514 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,0,0|1,0,0]=2 2515 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,0,0|1,0,0]=2 2516 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,0,0,1,0,0|2,0,0]=3 2517 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,0,0,1,0,0|2,0,0]=3 2518 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,0,0,1,0,0|2,0,0]=3 2519 B10R1.140 CCNC(=O)C1CN(C1)C 240690a_100015525214_100012002723 [0,0,0,1,0,0|2,0,0]=3 2520 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,0,0,1,0,0|2,0,0]=3 2521 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,0,0,1,0,0|2,0,0]=3 2522 B10R1.140 CCNC(=O)N1CC(C1)F 2708a_100015525214_100000690557 [0,0,0,1,0,0|3,0,0]=4 2523 B10R1.140 CCNC(=O)N1CC(C1)F 273464a_100015525214_100000690557 [0,0,0,1,0,0|3,0,0]=4 2524 B10R1.140 CCNC(=O)N1CC(C1)O 2708a_100015525214_100000749847 [0,0,0,1,0,0|3,0,0]=4 2525 B10R1.140 CCNC(=O)N1CC(C1)O 273464a_100015525214_100000749847 [0,0,0,1,0,0|3,0,0]=4 2526 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,0,0,1,0,0|2,0,0]=3 2527 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,0,0,1,0,0|2,0,0]=3 2528 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,0,0|1,0,0]=2 2529 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,0,0|1,0,0]=2 2530 B10R1.140 CN1CC(C1)C(=O)CCF 1458a_100012002723_100011217306 [0,0,0,1,0,0|3,0,0]=4 2531 B10R1.140 CN1CC(C1)C(=O)CCO 1458a_100012002723_100000211926 [0,0,0,1,0,0|3,0,0]=4 2532 B10R1.140 CNNC(=O)C1CC(C1)C 22a_100016993582_100000686124 [0,0,0,1,0,0|2,0,0]=3 2533 B10R1.140 CNNC(=O)C1CC(C1)F 22a_100016993582_100000062598 [0,0,0,1,0,0|3,0,0]=4 2534 B10R1.140 CNNC(=O)C1CN(C1)C 22a_100016993582_100012002723 [0,0,0,1,0,0|3,0,0]=4 2535 B10R1.140 CNNC(=O)[C@H]1C[C@H](C1)O 22a_100016993582_100015266633 [0,0,0,1,0,0|3,0,0]=4 2536 B10R1.140 COCC(=O)N1CC(C1)C 11a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 2537 B10R1.140 COCC(=O)N1CC(C1)C 240690a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 2538 B10R1.140 COCC(=O)N1CC(C1)C 527a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 2539 B10R1.140 CSCC(=O)N1CC(C1)C 11a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 2540 B10R1.140 CSCC(=O)N1CC(C1)C 240690a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 2541 B10R1.140 CSCC(=O)N1CC(C1)C 527a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 2542 B10R1.140 O=C(CCF)C1CC(C1)F 1458a_100000062598_100011217306 [0,0,0,1,0,0|3,0,0]=4 2543 B10R1.140 O=C(CCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011217306 [0,0,0,1,0,0|3,0,0]=4 2544 B10R1.140 O=C(CCO)C1CC(C1)F 1458a_100000062598_100000211926 [0,0,0,1,0,0|3,0,0]=4 2545 B10R1.140 O=C(CCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000211926 [0,0,0,1,0,0|3,0,0]=4 2546 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,0,0,1,0,0|1,0,2]=4 2547 B10R1.211 CC(=CCC(=O)C1CC1)C 1458a_100000210395_100000761012 [0,0,0,1,0,0|1,0,2]=4 2548 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,0,0,1,0,0|1,0,0]=2 2549 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,0,0,1,0,0|2,0,0]=3 2550 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000226674_100000210312 [0,0,0,1,0,0|3,0,0]=4 2551 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000737065_200000210301 [0,0,0,1,0,0|3,0,0]=4 2552 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000226674_100000210312 [0,0,0,1,0,0|3,0,0]=4 2553 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000737065_200000210301 [0,0,0,1,0,0|3,0,0]=4 2554 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000742789_100000211595 [0,0,0,1,0,0|3,0,0]=4 2555 B10R1.211 CC(C)CCN([13CH3])C1CC1 2230a_100000737065_200025704644 [0,0,0,1,0,0|3,0,0]=4 2556 B10R1.211 CC(C)CCN([13CH3])C1CC1 269982a_100000737065_200025704644 [0,0,0,1,0,0|3,0,0]=4 2557 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [0,0,0,1,0,0|2,0,0]=3 2558 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [0,0,0,1,0,0|2,0,0]=3 2559 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [0,0,0,1,0,0|2,0,0]=3 2560 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [0,0,0,1,0,0|2,0,0]=3 2561 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [0,0,0,1,0,0|3,0,0]=4 2562 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [0,0,0,1,0,0|3,0,0]=4 2563 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [0,0,0,1,0,0|3,0,0]=4 2564 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [0,0,0,1,0,0|3,0,0]=4 2565 B10R1.211 CC(C)NCC(=O)C1CC1 2230a_100138425928_100000746382 [0,0,0,1,0,0|2,0,0]=3 2566 B10R1.211 CC(C)NCC(=O)C1CC1 34a_100138425928_100000746382 [0,0,0,1,0,0|2,0,0]=3 2567 B10R1.211 CC(C)NNC(=O)C1CC1 22a_100000741168_100000210395 [0,0,0,1,0,0|3,0,0]=4 2568 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000212225_100000746382 [0,0,0,1,0,0|2,0,0]=3 2569 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000686663_100000210206 [0,0,0,1,0,0|2,0,0]=3 2570 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000210206_100000746382 [0,0,0,1,0,0|2,0,0]=3 2571 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000746382_100000210206 [0,0,0,1,0,0|2,0,0]=3 2572 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,0,0,1,0,0|2,0,0]=3 2573 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,0,0,1,0,0|3,0,0]=4 2574 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,0,0,1,0,0|3,0,0]=4 2575 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,0,0,1,0,0|3,0,0]=4 2576 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,0,0,1,0,0|3,0,0]=4 2577 B10R1.211 CN(C)COC(=O)C1CC1 2230a_100102631434_100000140896 [0,0,0,1,0,0|3,0,0]=4 2578 B10R1.211 CN(C)COC(=O)C1CC1 269982a_100102631434_100000140896 [0,0,0,1,0,0|3,0,0]=4 2579 B10R1.400 C#CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000184674 [0,0,0,1,0,0|1,0,2]=4 2580 B10R1.400 C=CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210623 [0,0,0,1,0,0|1,0,2]=4 2581 B10R1.400 CC1(C[C@@H]1C(=O)CC#N)C 1458a_100000692687_100011214920 [0,0,0,1,0,0|2,0,1]=4 2582 B10R1.400 CC1(C[C@@H]1C(=O)CCF)C 1458a_100000692687_100011217306 [0,0,0,1,0,0|2,0,0]=3 2583 B10R1.400 CC1(C[C@@H]1C(=O)CCO)C 1458a_100000692687_100000211926 [0,0,0,1,0,0|2,0,0]=3 2584 B10R1.400 CCCC(=O)C1CC1(F)F 1458a_100000042250_100000210303 [0,0,0,1,0,0|3,0,0]=4 2585 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,0,0,1,0,0|1,0,0]=2 2586 B10R1.400 CCNC(=O)C1CC1(F)F 11a_100015525214_100000042250 [0,0,0,1,0,0|3,0,0]=4 2587 B10R1.400 CCNC(=O)C1CC1(F)F 240690a_100015525214_100000042250 [0,0,0,1,0,0|3,0,0]=4 2588 B10R1.400 CCNC(=O)C1CC1(F)F 527a_100015525214_100000042250 [0,0,0,1,0,0|3,0,0]=4 2589 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,0,0,1,0,0|1,0,0]=2 2590 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,0,0,1,0,0|1,0,0]=2 2591 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,0,0,1,0,0|1,0,0]=2 2592 B10R1.400 CNNC(=O)[C@H]1CC1(C)C 22a_100016993582_100000692687 [0,0,0,1,0,0|2,0,0]=3 2593 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,0,0,0,1,0|1,0,2]=4 2594 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,0,0,0,1,0|1,0,2]=4 2595 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,1,0|1,0,2]=4 2596 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,0,0,0,1,0|1,0,2]=4 2597 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,0,0,0,1,0|1,0,2]=4 2598 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,0,0,0,1,0|1,0,2]=4 2599 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,0,0,0,1,0|1,0,2]=4 2600 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,0,0,0,1,0|1,0,1]=3 2601 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,0,0,0,1,0|2,0,1]=4 2602 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,0,0,0,1,0|2,0,1]=4 2603 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,0,0,0,1,0|2,0,1]=4 2604 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,0,0,0,1,0|2,0,1]=4 2605 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,0,0,0,1,0|2,0,1]=4 2606 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,0,0,0,1,0|2,0,1]=4 2607 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,0,0,0,1,0|2,0,0]=3 2608 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,1,0|2,0,0]=3 2609 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,1,0|2,0,0]=3 2610 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,0,0,0,1,0|2,0,1]=4 2611 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,0,0,0,1,0|2,0,1]=4 2612 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,0,0,0,1,0|3,0,0]=4 2613 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,0,0,0,1,0|3,0,0]=4 2614 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,0,0,0,1,0|3,0,0]=4 2615 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,0,0,0,1,0|3,0,0]=4 2616 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,0,0,0,1,0|3,0,0]=4 2617 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,0,0,0,1,0|3,0,0]=4 2618 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,0,0,0,1,0|3,0,0]=4 2619 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,0,0,0,1,0|1,0,1]=3 2620 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,0,0,0,1,0|2,0,1]=4 2621 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,0,0,0,1,0|2,0,1]=4 2622 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,0,0,0,1,0|2,0,1]=4 2623 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,0,0,0,1,0|2,0,1]=4 2624 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,1,0|1,0,2]=4 2625 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,1,0|2,0,1]=4 2626 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,1,0|1,0,0]=2 2627 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,1,0|1,0,0]=2 2628 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,1,0|2,0,0]=3 2629 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,0,0,0,1,0|3,0,0]=4 2630 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,1,0|2,0,0]=3 2631 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,1,0|2,0,0]=3 2632 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,1,0|2,0,0]=3 2633 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,1,0|2,0,0]=3 2634 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,1,0|2,0,0]=3 2635 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,1,0|2,0,0]=3 2636 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,1,0|2,0,0]=3 2637 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,1,0|2,0,0]=3 2638 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,1,0|2,0,0]=3 2639 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,0,0,0,1,0|3,0,0]=4 2640 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,0,0,0,1,0|3,0,0]=4 2641 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,0,0,0,1,0|3,0,0]=4 2642 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,0,0,0,1,0|3,0,0]=4 2643 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,0,0,0,1,0|3,0,0]=4 2644 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,1,0|1,0,2]=4 2645 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,1,0|1,0,2]=4 2646 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,1,0|2,0,1]=4 2647 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,1,0|1,0,0]=2 2648 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,1,0|1,0,0]=2 2649 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,1,0|1,0,0]=2 2650 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,1,0|2,0,0]=3 2651 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,1,0|2,0,0]=3 2652 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,1,0|2,0,0]=3 2653 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,1,0|2,0,0]=3 2654 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,1,0|2,0,0]=3 2655 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,1,0|2,0,0]=3 2656 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,1,0|2,0,0]=3 2657 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,1,0|2,0,0]=3 2658 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,1,0|2,0,0]=3 2659 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,1,0|2,0,0]=3 2660 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,1,0|2,0,0]=3 2661 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,1,0|2,0,0]=3 2662 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,1,0|2,0,0]=3 2663 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,1,0|2,0,0]=3 2664 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,1,0|2,0,0]=3 2665 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,1,0|2,0,0]=3 2666 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,1,0|2,0,0]=3 2667 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,1,0|2,0,0]=3 2668 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,0,0,0,1,0|2,0,1]=4 2669 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,0,0,0,1,0|2,0,1]=4 2670 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,1,0|1,0,1]=3 2671 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,1,0|1,0,1]=3 2672 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,1,0|1,0,1]=3 2673 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,1,0|1,0,0]=2 2674 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,1,0|1,0,0]=2 2675 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,1,0|1,0,0]=2 2676 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,1,0|1,0,0]=2 2677 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,0,0,0,1,0|1,0,1]=3 2678 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,0,0,0,1,0|1,0,1]=3 2679 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,0,0,0,1,0|1,0,1]=3 2680 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,0,0,0,1,0|1,1,1]=4 2681 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,0,0,0,1,0|1,1,1]=4 2682 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,0,0,0,1,0|3,0,0]=4 2683 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,0,0,0,1,0|3,0,0]=4 2684 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,0,0,0,1,0|3,0,0]=4 2685 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,0,0,0,1,0|3,0,0]=4 2686 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,0,0,0,1,0|3,0,0]=4 2687 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,0,0,0,1,0|3,0,0]=4 2688 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,0,0,0,1,0|3,0,0]=4 2689 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,0,0,0,1,0|3,0,0]=4 2690 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,0,0,0,1,0|3,0,0]=4 2691 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,0,0,0,1,0|3,0,0]=4 2692 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,0,0,0,1,0|3,0,0]=4 2693 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,0,0,0,1,0|2,0,0]=3 2694 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,0,0,0,1,0|3,0,0]=4 2695 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,0,0,0,1,0|3,0,0]=4 2696 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,0,0,0,1,0|3,0,0]=4 2697 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,0,0,0,1,0|3,0,0]=4 2698 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,0,0,0,1,0|3,0,0]=4 2699 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,0,0,0,1,0|3,0,0]=4 2700 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,0,0,0,1,0|2,0,0]=3 2701 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,0,0,0,1,0|3,0,0]=4 2702 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,0,0,0,1,0|3,0,0]=4 2703 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,0,0,0,1,0|3,0,0]=4 2704 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,0,0,0,1,0|3,0,0]=4 2705 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,0,0,0,1,0|3,0,0]=4 2706 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,0,0,0,1,0|3,0,0]=4 2707 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,0,0,0,1,0|3,0,0]=4 2708 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,0,0,0,1,0|2,0,0]=3 2709 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,0,0,0,1,0|3,0,0]=4 2710 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,0,0,0,1,0|3,0,0]=4 2711 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,0,0,0,1,0|3,0,0]=4 2712 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,0,0,0,1,0|3,0,0]=4 2713 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,0,0,0,1,0|3,0,0]=4 2714 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,0,0,0,1,0|3,0,0]=4 2715 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,0,0,0,1,0|3,0,0]=4 2716 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,0,0,0,1,0|3,0,0]=4 2717 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,0,0,0,1,0|3,0,0]=4 2718 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,0,0,0,1,0|3,0,0]=4 2719 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,0,0,0,1,0|3,0,0]=4 2720 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,0,0,0,1,0|3,0,0]=4 2721 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,0,0,0,1,0|3,0,0]=4 2722 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,0,0,0,0,1|1,0,2]=4 2723 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,0,0,0,0,1|1,0,2]=4 2724 B10R0.3 C#CCC(=O)CCOC(C)C 1458a_100011220946_100000211751 [0,0,0,0,0,1|1,0,2]=4 2725 B10R0.3 C#CCC(=O)CCSC(C)C 1458a_100011220946_100000730970 [0,0,0,0,0,1|1,0,2]=4 2726 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [0,0,0,0,0,1|1,0,2]=4 2727 B10R0.3 C#CCC(=O)NCCC(C)C 1626a_100000210545_100011220946 [0,0,0,0,0,1|1,0,2]=4 2728 B10R0.3 C#CCC(=O)NCCC(C)C 527a_100000210545_100011220946 [0,0,0,0,0,1|1,0,2]=4 2729 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,0,0,0,0,1|1,0,2]=4 2730 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,0,0,0,0,1|1,0,2]=4 2731 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,0,0,0,0,1|0,0,2]=3 2732 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,0,0,0,0,1|1,0,2]=4 2733 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,0,0,0,0,1|1,0,2]=4 2734 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,0,0,0,0,1|1,0,2]=4 2735 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,0,0,0,0,1|1,0,2]=4 2736 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,0,0,0,0,1|0,0,2]=3 2737 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,0,0,0,0,1|0,0,2]=3 2738 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,0,0,0,0,1|1,0,2]=4 2739 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,0,0,0,0,1|1,0,2]=4 2740 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,0,0,0,0,1|1,0,2]=4 2741 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,0,0,0,0,1|1,0,2]=4 2742 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,0,0,0,0,1|1,0,2]=4 2743 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,0,0,0,0,1|1,0,2]=4 2744 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,0,0,0,0,1|1,0,2]=4 2745 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,0,0,0,0,1|1,0,2]=4 2746 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,0,0,0,0,1|1,0,2]=4 2747 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,0,0,0,0,1|1,0,2]=4 2748 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,0,0,0,0,1|1,0,2]=4 2749 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,0,0,0,0,1|1,0,2]=4 2750 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,0,0,0,0,1|0,0,2]=3 2751 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,0,0,0,0,1|0,0,2]=3 2752 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,0,0,0,0,1|1,0,2]=4 2753 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,0,0,0,0,1|1,0,2]=4 2754 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [0,0,0,0,0,1|1,0,2]=4 2755 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,0,0,0,0,1|0,0,2]=3 2756 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [0,0,0,0,0,1|1,0,2]=4 2757 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [0,0,0,0,0,1|1,0,2]=4 2758 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [0,0,0,0,0,1|1,0,2]=4 2759 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,0,0,0,0,1|0,0,2]=3 2760 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,0,0,0,0,1|0,0,2]=3 2761 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,0,0,0,0,1|1,0,2]=4 2762 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,0,0,0,0,1|1,0,2]=4 2763 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,0,0,0,0,1|1,0,2]=4 2764 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,0,0,0,0,1|1,0,2]=4 2765 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,0,0,0,0,1|1,0,2]=4 2766 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,0,0,0,0,1|1,0,1]=3 2767 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,0,0,0,0,1|2,0,1]=4 2768 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,0,0,0,0,1|2,0,1]=4 2769 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,0,0,0,0,1|1,0,1]=3 2770 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,0,0,0,0,1|1,0,1]=3 2771 B10R0.3 CC#CC(=O)NNCC(C)C 22a_100000696102_100000763181 [0,0,0,0,0,1|2,0,1]=4 2772 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,1|2,0,1]=4 2773 B10R0.3 CC(Br)COCC(=O)NCO 34a_100012180447_100000185155 [0,0,0,0,0,1|3,0,0]=4 2774 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [0,0,0,0,0,1|2,0,1]=4 2775 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,0,0,0,0,1|2,0,1]=4 2776 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,0,0,0,0,1|2,0,1]=4 2777 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,0,0,0,0,1|2,0,1]=4 2778 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,0,0,0,0,1|2,0,1]=4 2779 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,0,0,0,0,1|2,0,1]=4 2780 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,0,0,0,0,1|2,0,1]=4 2781 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,0,0,0,0,1|2,0,0]=3 2782 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,0,0,0,0,1|2,0,0]=3 2783 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,0,0,0,0,1|2,0,0]=3 2784 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,0,0,0,0,1|2,0,1]=4 2785 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,0,0,0,0,1|2,0,1]=4 2786 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [0,0,0,0,0,1|2,0,1]=4 2787 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [0,0,0,0,0,1|2,0,1]=4 2788 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [0,0,0,0,0,1|2,0,1]=4 2789 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [0,0,0,0,0,1|2,0,1]=4 2790 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [0,0,0,0,0,1|2,0,1]=4 2791 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [0,0,0,0,0,1|2,0,1]=4 2792 B10R0.3 CC(C)CCNC(=O)CC#N 1626a_100000210545_100051588842 [0,0,0,0,0,1|2,0,1]=4 2793 B10R0.3 CC(C)CCNC(=O)CC#N 240690a_100000210545_100051588842 [0,0,0,0,0,1|2,0,1]=4 2794 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,0,0,0,0,1|2,0,0]=3 2795 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,0,0,0,0,1|2,0,0]=3 2796 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,0,0,0,0,1|2,0,0]=3 2797 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,0,0,0,0,1|3,0,0]=4 2798 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [0,0,0,0,0,1|2,0,1]=4 2799 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,0,0,0,0,1|2,0,0]=3 2800 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,0,0,0,0,1|2,0,0]=3 2801 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,0,0,0,0,1|2,0,0]=3 2802 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,0,0,0,0,1|2,0,0]=3 2803 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,0,0,0,0,1|2,0,0]=3 2804 B10R0.3 CC(C)OCCC(=O)C=CBr 1458a_100016273825_100000211751 [0,0,0,0,0,1|2,0,1]=4 2805 B10R0.3 CC(C)OCCC(=O)C=CCl 1458a_200016279998_100000211751 [0,0,0,0,0,1|2,0,1]=4 2806 B10R0.3 CC(C)OCCC(=O)C=CI 1458a_100016256311_100000211751 [0,0,0,0,0,1|2,0,1]=4 2807 B10R0.3 CC(C)OCCC(=O)CC#N 1458a_100051588842_100000211751 [0,0,0,0,0,1|2,0,1]=4 2808 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,0,0,0,0,1|2,0,0]=3 2809 B10R0.3 CC(C)SCCC(=O)C=CBr 1458a_100016273825_100000730970 [0,0,0,0,0,1|2,0,1]=4 2810 B10R0.3 CC(C)SCCC(=O)C=CCl 1458a_200016279998_100000730970 [0,0,0,0,0,1|2,0,1]=4 2811 B10R0.3 CC(C)SCCC(=O)C=CI 1458a_100016256311_100000730970 [0,0,0,0,0,1|2,0,1]=4 2812 B10R0.3 CC(C)SCCC(=O)CC#N 1458a_100051588842_100000730970 [0,0,0,0,0,1|2,0,1]=4 2813 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,0,0,0,0,1|2,0,0]=3 2814 B10R0.3 CC(F)COCC(=O)NCO 34a_100015925927_100000185155 [0,0,0,0,0,1|3,0,0]=4 2815 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,0,0,0,0,1|3,0,0]=4 2816 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,0,0,0,0,1|3,0,0]=4 2817 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,0,0,0,0,1|3,0,0]=4 2818 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,0,0,0,0,1|3,0,0]=4 2819 B10R0.3 CC(O)CSCC(=O)NCO 62a_100000185155_100011218427 [0,0,0,0,0,1|3,0,0]=4 2820 B10R0.3 CC(O)CSCC(=O)NCO 62a_100011218427_100000185155 [0,0,0,0,0,1|3,0,0]=4 2821 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,0,0,0,0,1|1,0,2]=4 2822 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,0,0,0,0,1|1,0,1]=3 2823 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,0,0,0,0,1|2,0,1]=4 2824 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,0,0,0,0,1|2,0,1]=4 2825 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,0,0,0,0,1|1,0,1]=3 2826 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,0,0,0,0,1|1,0,1]=3 2827 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,0,0,0,0,1|1,0,1]=3 2828 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,0,0,0,0,1|1,0,1]=3 2829 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,0,0,0,0,1|1,0,1]=3 2830 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,0,0,0,0,1|2,0,1]=4 2831 B10R0.3 CC=CC(=O)NCCN(C)C 240690a_100000210585_100000210699 [0,0,0,0,0,1|2,0,1]=4 2832 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [0,0,0,0,0,1|2,0,1]=4 2833 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,0,0,0,0,1|1,0,1]=3 2834 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,0,0,0,0,1|2,0,1]=4 2835 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,1|1,0,1]=3 2836 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,0,0,0,0,1|2,0,1]=4 2837 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,0,0,0,0,1|1,0,0]=2 2838 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,0,0,0,0,1|1,0,0]=2 2839 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,0,0,0,0,1|2,0,0]=3 2840 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,0,0,0,0,1|2,0,0]=3 2841 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,0,0,0,0,1|2,0,1]=4 2842 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,0,0,0,0,1|2,0,1]=4 2843 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,0,0,0,0,1|2,0,1]=4 2844 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,1|1,0,0]=2 2845 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,0,0,0,0,1|2,0,1]=4 2846 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,0,0,0,0,1|1,0,0]=2 2847 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,0,0,0,0,1|1,0,0]=2 2848 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,0,0,0,0,1|2,0,0]=3 2849 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,0,0,0,0,1|1,0,0]=2 2850 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,0,0,0,0,1|1,0,0]=2 2851 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,0,0,0,0,1|1,0,0]=2 2852 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,0,0,0,0,1|2,0,0]=3 2853 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,0,0,0,0,1|2,0,0]=3 2854 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [0,0,0,0,0,1|3,0,0]=4 2855 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [0,0,0,0,0,1|3,0,0]=4 2856 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,0,0,0,0,1|2,0,0]=3 2857 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,0,0,0,0,1|2,0,0]=3 2858 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,1|1,0,2]=4 2859 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,1|1,0,2]=4 2860 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,1|1,0,2]=4 2861 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,0,0,0,0,1|1,0,0]=2 2862 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,0,0,0,0,1|1,0,0]=2 2863 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,0,0,0,0,1|1,0,0]=2 2864 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,0,0,0,0,1|1,0,0]=2 2865 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,0,0,0,0,1|2,0,0]=3 2866 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,0,0,0,0,1|2,0,0]=3 2867 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,0,0,0,0,1|2,0,0]=3 2868 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,0,0,0,0,1|2,0,0]=3 2869 B10R0.3 CCCC(=O)NN=CC(C)C 4a_100000189770_100000210432 [0,0,0,0,0,1|2,0,1]=4 2870 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,0,0,0,0,1|2,0,0]=3 2871 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,0,0,0,0,1|3,0,0]=4 2872 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,0,0,0,0,1|2,0,0]=3 2873 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,0,0,0,0,1|2,0,0]=3 2874 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,0,0,0,0,1|2,0,0]=3 2875 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,0,0,0,0,1|2,0,0]=3 2876 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,0,0,0,0,1|2,0,1]=4 2877 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,0,0,0,0,1|2,0,1]=4 2878 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,0,0,0,0,1|2,0,1]=4 2879 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,0,0,0,0,1|2,0,1]=4 2880 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,0,0,0,0,1|2,0,1]=4 2881 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,0,0,0,0,1|2,0,1]=4 2882 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,0,0,0,0,1|2,0,1]=4 2883 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,0,0,0,0,1|2,0,1]=4 2884 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,0,0,0,0,1|2,0,1]=4 2885 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,0,0,0,0,1|2,0,1]=4 2886 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,0,0,0,0,1|2,0,1]=4 2887 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,0,0,0,0,1|2,0,1]=4 2888 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,0,0,0,0,1|2,0,1]=4 2889 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,0,0,0,0,1|2,0,1]=4 2890 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,0,0,0,0,1|2,0,1]=4 2891 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,0,0,0,0,1|2,0,1]=4 2892 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,0,0,0,0,1|2,0,1]=4 2893 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,0,0,0,0,1|2,0,1]=4 2894 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,0,0,0,0,1|2,0,1]=4 2895 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,0,0,0,0,1|3,0,0]=4 2896 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,0,0,0,0,1|3,0,0]=4 2897 B10R0.3 CCCN(C)CCOC(C)C 2230a_100000747261_100000211751 [0,0,0,0,0,1|3,0,0]=4 2898 B10R0.3 CCCN(C)CCOC(C)C 269982a_100000747261_100000211751 [0,0,0,0,0,1|3,0,0]=4 2899 B10R0.3 CCCN(C)CCSC(C)C 2230a_100000747261_100000730970 [0,0,0,0,0,1|3,0,0]=4 2900 B10R0.3 CCCN(C)CCSC(C)C 269982a_100000747261_100000730970 [0,0,0,0,0,1|3,0,0]=4 2901 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,0,0,0,0,1|2,0,1]=4 2902 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,0,0,0,0,1|2,0,1]=4 2903 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,0,0,0,0,1|1,0,1]=3 2904 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,0,0,0,0,1|1,0,1]=3 2905 B10R0.3 CCNC(=O)C=CCN(C)C 240690a_100015525214_100000754359 [0,0,0,0,0,1|2,0,1]=4 2906 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,0,0,0,0,1|2,0,1]=4 2907 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,0,0,0,0,1|2,0,1]=4 2908 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,0,0,0,0,1|1,0,0]=2 2909 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,0,0,0,0,1|1,0,0]=2 2910 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,0,0,0,0,1|1,0,0]=2 2911 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,0,0,0,0,1|2,0,0]=3 2912 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,0,0,0,0,1|2,0,0]=3 2913 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,0,0,0,0,1|2,0,0]=3 2914 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,0,0,0,0,1|2,0,1]=4 2915 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,0,0,0,0,1|2,0,1]=4 2916 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,0,0,0,0,1|2,0,1]=4 2917 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,0,0,0,0,1|2,0,1]=4 2918 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,0,0,0,0,1|2,0,1]=4 2919 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,0,0,0,0,1|2,0,1]=4 2920 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,0,0,0,0,1|2,0,1]=4 2921 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,0,0,0,0,1|1,0,0]=2 2922 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,0,0,0,0,1|1,0,0]=2 2923 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,0,0,0,0,1|2,0,1]=4 2924 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,0,0,0,0,1|1,0,0]=2 2925 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,0,0,0,0,1|1,0,0]=2 2926 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,0,0,0,0,1|1,0,0]=2 2927 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,0,0,0,0,1|1,0,0]=2 2928 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,0,0,0,0,1|1,0,0]=2 2929 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,0,0,0,0,1|1,0,0]=2 2930 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,0,0,0,0,1|2,0,0]=3 2931 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,0,0,0,0,1|2,0,0]=3 2932 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,0,0,0,0,1|2,0,0]=3 2933 B10R0.3 CCNC(=O)CNCC(F)F 2230a_100016988866_100011934356 [0,0,0,0,0,1|3,0,0]=4 2934 B10R0.3 CCNC(=O)CNCC(F)F 34a_100000765723_100000183381 [0,0,0,0,0,1|3,0,0]=4 2935 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,0,0,0,0,1|2,0,0]=3 2936 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,0,0,0,0,1|2,0,1]=4 2937 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,0,0,0,0,1|2,0,0]=3 2938 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,0,0,0,0,1|1,0,0]=2 2939 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,0,0,0,0,1|1,0,0]=2 2940 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,0,0,0,0,1|1,0,0]=2 2941 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,0,0,0,0,1|1,0,0]=2 2942 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,0,0,0,0,1|2,0,0]=3 2943 B10R0.3 CCNC(=O)COCC(F)F 34a_100000743014_100000183381 [0,0,0,0,0,1|3,0,0]=4 2944 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,0,0,0,0,1|2,0,0]=3 2945 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,0,0,0,0,1|2,0,0]=3 2946 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,0,0,0,0,1|1,0,0]=2 2947 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,0,0,0,0,1|1,0,0]=2 2948 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,0,0,0,0,1|2,0,0]=3 2949 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,0,0,0,0,1|2,0,0]=3 2950 B10R0.3 CCNC(=O)CSCC(F)F 62a_100000183381_100011934356 [0,0,0,0,0,1|3,0,0]=4 2951 B10R0.3 CCNC(=O)CSCC(F)F 62a_100011934356_100000183381 [0,0,0,0,0,1|3,0,0]=4 2952 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,0,0,0,0,1|2,0,0]=3 2953 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,0,0,0,0,1|2,0,0]=3 2954 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,0,0,0,0,1|1,0,2]=4 2955 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,0,0,0,0,1|1,0,2]=4 2956 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,0,0,0,0,1|1,0,2]=4 2957 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,0,0,0,0,1|1,0,2]=4 2958 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,0,0,0,0,1|1,0,2]=4 2959 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,0,0,0,0,1|1,0,2]=4 2960 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,0,0,0,0,1|1,0,0]=2 2961 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,0,0,0,0,1|1,0,0]=2 2962 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,0,0,0,0,1|1,0,0]=2 2963 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,0,0,0,0,1|1,0,0]=2 2964 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,0,0,0,0,1|1,0,0]=2 2965 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,0,0,0,0,1|1,0,0]=2 2966 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,0,0,0,0,1|2,0,0]=3 2967 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,0,0,0,0,1|2,0,0]=3 2968 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,0,0,0,0,1|2,0,0]=3 2969 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,0,0,0,0,1|2,0,0]=3 2970 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,0,0,0,0,1|2,0,0]=3 2971 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,0,0,0,0,1|2,0,0]=3 2972 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,0,0,0,0,1|2,0,0]=3 2973 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,0,0,0,0,1|2,0,0]=3 2974 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,0,0,0,0,1|2,0,0]=3 2975 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,0,0,0,0,1|2,0,0]=3 2976 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,0,0,0,0,1|2,0,0]=3 2977 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,0,0,0,0,1|3,0,0]=4 2978 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,0,0,0,0,1|3,0,0]=4 2979 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,0,0,0,0,1|2,0,1]=4 2980 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,0,0,0,0,1|2,0,1]=4 2981 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,0,0,0,0,1|2,0,1]=4 2982 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,0,0,0,0,1|1,0,1]=3 2983 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,0,0,0,0,1|1,0,1]=3 2984 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,0,0,0,0,1|1,0,1]=3 2985 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,1|1,0,1]=3 2986 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,1|1,0,1]=3 2987 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,1|1,0,1]=3 2988 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,0,0,0,0,1|1,0,0]=2 2989 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,0,0,0,0,1|1,0,0]=2 2990 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,1|1,0,1]=3 2991 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,0,0,0,0,1|0,0,0]=1 2992 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,0,0,0,0,1|0,0,0]=1 2993 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,0,0,0,0,1|0,0,0]=1 2994 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,0,0,0,0,1|0,0,0]=1 2995 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,0,0,0,0,1|0,0,0]=1 2996 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,0,0,0,0,1|2,0,1]=4 2997 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,0,0,0,0,1|2,0,1]=4 2998 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,0,0,0,0,1|0,0,0]=1 2999 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,0,0,0,0,1|0,0,0]=1 3000 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,0,0,0,0,1|1,0,0]=2 3001 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,0,0,0,0,1|1,0,0]=2 3002 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,0,0,0,0,1|2,0,0]=3 3003 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,0,0,0,0,1|1,0,1]=3 3004 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,0,0,0,0,1|1,0,0]=2 3005 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,0,0,0,0,1|0,0,0]=1 3006 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,0,0,0,0,1|1,0,0]=2 3007 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,0,0,0,0,1|2,0,0]=3 3008 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,0,0,0,0,1|1,0,0]=2 3009 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,0,0,0,0,1|1,0,0]=2 3010 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,0,0,0,0,1|2,0,1]=4 3011 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,0,0,0,0,1|2,0,1]=4 3012 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,0,0,0,0,1|2,0,1]=4 3013 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,0,0,0,0,1|2,0,1]=4 3014 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,0,0,0,0,1|0,0,0]=1 3015 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,0,0,0,0,1|0,0,0]=1 3016 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,0,0,0,0,1|1,0,0]=2 3017 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,0,0,0,0,1|1,0,0]=2 3018 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,0,0,0,0,1|2,0,0]=3 3019 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,0,0,0,0,1|2,0,0]=3 3020 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,0,0,0,0,1|1,0,0]=2 3021 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,0,0,0,0,1|1,0,0]=2 3022 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,0,0,0,0,1|3,0,0]=4 3023 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,1|1,0,1]=3 3024 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,0,0,0,0,1|1,0,0]=2 3025 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,0,0,0,0,1|1,0,0]=2 3026 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,1|1,0,2]=4 3027 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,1|1,0,2]=4 3028 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,0,0,0,0,1|1,0,1]=3 3029 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,0,0,0,0,1|1,0,1]=3 3030 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,0,0,0,0,1|3,0,0]=4 3031 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,0,0,0,0,1|3,0,0]=4 3032 B10R0.3 CNNC(=O)C/C=C/C(C)C 22a_100016993582_100016292215 [0,0,0,0,0,1|2,0,1]=4 3033 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,0,0,0,0,1|2,0,0]=3 3034 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,0,0,0,0,1|3,0,0]=4 3035 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,0,0,0,0,1|3,0,0]=4 3036 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,0,0,0,0,1|2,0,0]=3 3037 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,0,0,0,0,1|2,0,0]=3 3038 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,0,0,0,0,1|2,0,0]=3 3039 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,0,0,0,0,1|2,0,0]=3 3040 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,0,0,0,0,1|3,0,0]=4 3041 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,0,0,0,0,1|3,0,0]=4 3042 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,0,0,0,0,1|3,0,0]=4 3043 B10R0.3 CNNC(=O)NCCN(C)C 273464a_100000210585_100016993582 [0,0,0,0,0,1|3,0,0]=4 3044 B10R0.3 CNNC(=O)NCCN(C)C 512a_100016993582_100000210585 [0,0,0,0,0,1|3,0,0]=4 3045 B10R0.3 CNNC(=O)NNCC(C)C 512a_100000696102_100016993582 [0,0,0,0,0,1|3,0,0]=4 3046 B10R0.3 CNNC(=O)NNCC(C)C 512a_100016993582_100000696102 [0,0,0,0,0,1|3,0,0]=4 3047 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,1|2,0,1]=4 3048 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,0,0,0,0,1|2,0,0]=3 3049 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,0,0,0,0,1|3,0,0]=4 3050 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,0,0,0,0,1|3,0,0]=4 3051 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,0,0,0,0,1|2,0,0]=3 3052 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,0,0,0,0,1|2,0,0]=3 3053 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,0,0,0,0,1|2,0,0]=3 3054 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,0,0,0,0,1|2,0,0]=3 3055 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,0,0,0,0,1|2,0,0]=3 3056 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,0,0,0,0,1|2,0,0]=3 3057 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,0,0,0,0,1|3,0,0]=4 3058 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,0,0,0,0,1|3,0,0]=4 3059 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,0,0,0,0,1|3,0,0]=4 3060 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,0,0,0,0,1|3,0,0]=4 3061 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,0,0,0,0,1|3,0,0]=4 3062 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,1|2,0,1]=4 3063 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,0,0,0,0,1|2,0,0]=3 3064 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,0,0,0,0,1|3,0,0]=4 3065 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,0,0,0,0,1|3,0,0]=4 3066 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,0,0,0,0,1|2,0,0]=3 3067 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,0,0,0,0,1|2,0,0]=3 3068 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,0,0,0,0,1|2,0,0]=3 3069 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,0,0,0,0,1|2,0,0]=3 3070 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,0,0,0,0,1|2,0,0]=3 3071 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,0,0,0,0,1|2,0,0]=3 3072 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,0,0,0,0,1|3,0,0]=4 3073 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,0,0,0,0,1|3,0,0]=4 3074 B10R0.3 CSCC(=O)NCCN(C)C 240690a_100000210585_100000184570 [0,0,0,0,0,1|3,0,0]=4 3075 B10R0.3 CSCC(=O)NCCN(C)C 527a_100000210585_100000184570 [0,0,0,0,0,1|3,0,0]=4 3076 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [0,0,0,0,0,1|3,0,0]=4 3077 B10R0.3 C[C@@H](Cl)COCC(=O)NCO 34a_100016084084_100000185155 [0,0,0,0,0,1|3,0,0]=4 3078 B10R0.3 C[C@@H](N)COCC(=O)NCO 34a_100000737577_100000185155 [0,0,0,0,0,1|3,0,0]=4 3079 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100000185155_100009817552 [0,0,0,0,0,1|3,0,0]=4 3080 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100009817552_100000185155 [0,0,0,0,0,1|3,0,0]=4 3081 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 3082 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|2,0,0]=4 3083 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 3084 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 3085 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|2,0,0]=4 3086 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|2,0,0]=4 3087 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 3088 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|2,0,0]=4 3089 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|2,0,0]=4 3090 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|2,0,0]=4 3091 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|2,0,0]=4 3092 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|2,0,0]=4 3093 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|2,0,0]=4 3094 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|2,0,0]=4 3095 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|2,0,0]=4 3096 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|2,0,0]=4 3097 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|2,0,0]=4 3098 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,1]=4 3099 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,1]=4 3100 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,1]=3 3101 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,1]=3 3102 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,1]=3 3103 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|1,0,1]=4 3104 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|1,0,1]=4 3105 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|0,1,1]=4 3106 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|0,1,1]=4 3107 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|2,0,0]=4 3108 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|2,0,0]=4 3109 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|2,0,0]=4 3110 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|2,0,0]=4 3111 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|2,0,0]=4 3112 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|2,0,0]=4 3113 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|2,0,0]=4 3114 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|1,0,1]=4 3115 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|1,0,1]=4 3116 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|1,0,1]=4 3117 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 3118 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 3119 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|1,0,1]=4 3120 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 3121 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 3122 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|1,0,1]=4 3123 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|1,0,1]=4 3124 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|1,0,1]=4 3125 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|1,0,1]=4 3126 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 3127 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,1]=4 3128 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 3129 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 3130 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,1]=4 3131 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,1]=4 3132 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,1]=4 3133 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,1]=4 3134 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 3135 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,1]=4 3136 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|1,0,1]=4 3137 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 3138 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|1,0,1]=4 3139 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|1,0,1]=4 3140 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|1,0,1]=4 3141 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 3142 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|1,0,1]=4 3143 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 3144 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|1,0,1]=4 3145 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|1,0,1]=4 3146 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|1,0,1]=4 3147 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|1,0,1]=4 3148 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|1,0,1]=4 3149 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 3150 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|1,0,1]=4 3151 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 3152 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 3153 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|1,0,1]=4 3154 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|1,0,1]=4 3155 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|1,0,1]=4 3156 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 3157 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [2,0,0,0,0,0|0,0,2]=4 3158 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 3159 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 3160 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 3161 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|0,0,2]=4 3162 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 3163 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 3164 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 3165 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 3166 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 3167 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 3168 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 3169 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 3170 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 3171 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 3172 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 3173 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 3174 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 3175 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 3176 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 3177 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 3178 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 3179 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 3180 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 3181 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 3182 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 3183 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 3184 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 3185 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,2]=4 3186 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,0]=2 3187 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,0]=2 3188 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,0]=3 3189 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,0]=3 3190 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,0]=3 3191 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 3192 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 3193 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 3194 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 3195 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [2,0,0,0,0,0|1,0,1]=4 3196 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 3197 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 3198 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 3199 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|2,0,0]=4 3200 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 3201 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 3202 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|2,0,0]=4 3203 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 3204 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 3205 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 3206 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 3207 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 3208 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 3209 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 3210 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 3211 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 3212 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 3213 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 3214 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 3215 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 3216 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 3217 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 3218 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 3219 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 3220 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 3221 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|1,0,0]=3 3222 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 3223 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 3224 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 3225 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 3226 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 3227 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 3228 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 3229 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 3230 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 3231 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 3232 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|1,0,0]=3 3233 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 3234 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 3235 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 3236 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 3237 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 3238 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 3239 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 3240 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 3241 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 3242 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 3243 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|1,0,0]=3 3244 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|1,0,0]=3 3245 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 3246 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 3247 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 3248 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 3249 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 3250 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 3251 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 3252 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 3253 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 3254 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 3255 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 3256 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 3257 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 3258 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 3259 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 3260 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 3261 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 3262 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 3263 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 3264 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 3265 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 3266 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 3267 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 3268 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|1,0,0]=3 3269 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 3270 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|1,0,0]=3 3271 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|1,0,0]=3 3272 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|1,0,0]=3 3273 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|1,0,0]=3 3274 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [2,0,0,0,0,0|2,0,0]=4 3275 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [2,0,0,0,0,0|2,0,0]=4 3276 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [2,0,0,0,0,0|2,0,0]=4 3277 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [2,0,0,0,0,0|2,0,0]=4 3278 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 3279 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|2,0,0]=4 3280 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|1,0,0]=3 3281 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 3282 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|2,0,0]=4 3283 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|2,0,0]=4 3284 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 3285 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 3286 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 3287 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 3288 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 3289 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|2,0,0]=4 3290 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|2,0,0]=4 3291 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 3292 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 3293 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 3294 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 3295 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 3296 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 3297 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 3298 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 3299 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 3300 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 3301 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 3302 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 3303 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 3304 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 3305 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 3306 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 3307 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 3308 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 3309 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 3310 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 3311 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 3312 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 3313 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 3314 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 3315 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 3316 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 3317 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 3318 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 3319 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 3320 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 3321 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 3322 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 3323 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 3324 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 3325 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 3326 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 3327 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 3328 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 3329 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 3330 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 3331 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 3332 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 3333 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 3334 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [2,0,0,0,0,0|1,0,1]=4 3335 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [2,0,0,0,0,0|1,0,1]=4 3336 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [2,0,0,0,0,0|1,0,1]=4 3337 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [2,0,0,0,0,0|1,0,1]=4 3338 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [2,0,0,0,0,0|1,0,1]=4 3339 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|0,0,2]=4 3340 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|0,0,2]=4 3341 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [2,0,0,0,0,0|2,0,0]=4 3342 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 3343 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|1,0,1]=4 3344 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|0,0,1]=3 3345 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|0,0,1]=3 3346 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|0,1,1]=4 3347 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|0,1,1]=4 3348 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [2,0,0,0,0,0|1,0,0]=3 3349 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [2,0,0,0,0,0|1,0,0]=3 3350 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [2,0,0,0,0,0|1,1,0]=4 3351 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [2,0,0,0,0,0|1,1,0]=4 3352 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [2,0,0,0,0,0|1,0,1]=4 3353 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [2,0,0,0,0,0|1,0,1]=4 3354 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [2,0,0,0,0,0|1,0,1]=4 3355 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [2,0,0,0,0,0|1,0,1]=4 3356 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [2,0,0,0,0,0|1,0,1]=4 3357 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [2,0,0,0,0,0|1,0,1]=4 3358 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [2,0,0,0,0,0|1,0,1]=4 3359 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [2,0,0,0,0,0|1,0,1]=4 3360 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [2,0,0,0,0,0|1,0,1]=4 3361 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [2,0,0,0,0,0|1,0,1]=4 3362 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [2,0,0,0,0,0|1,0,1]=4 3363 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [2,0,0,0,0,0|1,0,1]=4 3364 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [2,0,0,0,0,0|2,0,0]=4 3365 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 3366 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|1,0,1]=4 3367 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|1,0,1]=4 3368 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|1,0,1]=4 3369 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 3370 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|1,0,1]=4 3371 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|1,0,1]=4 3372 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|1,0,1]=4 3373 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|1,0,1]=4 3374 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|1,0,1]=4 3375 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 3376 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 3377 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 3378 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,0,1]=4 3379 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,0,1]=4 3380 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|1,0,1]=4 3381 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|1,0,1]=4 3382 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|1,0,1]=4 3383 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|1,0,1]=4 3384 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|1,0,1]=4 3385 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|1,0,1]=4 3386 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|1,0,1]=4 3387 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|1,0,0]=3 3388 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|1,0,0]=3 3389 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|2,0,0]=4 3390 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|2,0,0]=4 3391 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [2,0,0,0,0,0|2,0,0]=4 3392 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [2,0,0,0,0,0|0,0,2]=4 3393 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [2,0,0,0,0,0|0,0,2]=4 3394 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,1]=4 3395 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,1]=4 3396 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 3397 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 3398 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,1]=4 3399 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|1,0,0]=3 3400 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|0,0,0]=2 3401 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|0,0,0]=2 3402 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|0,0,0]=2 3403 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|1,0,0]=3 3404 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [2,0,0,0,0,0|2,0,0]=4 3405 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [2,0,0,0,0,0|1,0,0]=3 3406 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [2,0,0,0,0,0|1,0,0]=3 3407 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|1,0,0]=3 3408 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [2,0,0,0,0,0|1,0,0]=3 3409 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [2,0,0,0,0,0|1,0,0]=3 3410 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [2,0,0,0,0,0|1,0,0]=3 3411 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|0,1,0]=3 3412 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|0,1,0]=3 3413 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|1,1,0]=4 3414 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|1,1,0]=4 3415 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [2,0,0,0,0,0|1,1,0]=4 3416 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [2,0,0,0,0,0|1,1,0]=4 3417 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [2,0,0,0,0,0|1,1,0]=4 3418 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [2,0,0,0,0,0|1,1,0]=4 3419 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [2,0,0,0,0,0|1,1,0]=4 3420 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 3421 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 3422 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|1,0,1]=4 3423 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|1,0,1]=4 3424 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|1,0,1]=4 3425 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|0,0,1]=3 3426 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|0,0,1]=3 3427 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|0,0,1]=3 3428 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [2,0,0,0,0,0|1,0,1]=4 3429 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [2,0,0,0,0,0|1,0,1]=4 3430 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [2,0,0,0,0,0|1,0,1]=4 3431 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [2,0,0,0,0,0|1,0,1]=4 3432 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [2,0,0,0,0,0|1,0,1]=4 3433 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [2,0,0,0,0,0|1,0,1]=4 3434 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [2,0,0,0,0,0|1,0,1]=4 3435 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [2,0,0,0,0,0|1,0,1]=4 3436 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [2,0,0,0,0,0|1,0,1]=4 3437 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [2,0,0,0,0,0|1,0,1]=4 3438 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [2,0,0,0,0,0|1,0,1]=4 3439 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [2,0,0,0,0,0|1,0,1]=4 3440 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [2,0,0,0,0,0|1,0,1]=4 3441 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [2,0,0,0,0,0|1,0,1]=4 3442 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [2,0,0,0,0,0|1,0,1]=4 3443 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [2,0,0,0,0,0|1,0,1]=4 3444 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [2,0,0,0,0,0|1,0,1]=4 3445 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [2,0,0,0,0,0|1,0,1]=4 3446 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [2,0,0,0,0,0|1,0,1]=4 3447 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [2,0,0,0,0,0|1,0,1]=4 3448 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [2,0,0,0,0,0|1,0,1]=4 3449 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [2,0,0,0,0,0|1,0,1]=4 3450 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [2,0,0,0,0,0|1,0,1]=4 3451 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [2,0,0,0,0,0|1,0,1]=4 3452 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|0,1,1]=4 3453 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|0,1,1]=4 3454 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [2,0,0,0,0,0|2,0,0]=4 3455 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [2,0,0,0,0,0|0,0,2]=4 3456 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [2,0,0,0,0,0|0,0,2]=4 3457 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [2,0,0,0,0,0|0,0,2]=4 3458 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [2,0,0,0,0,0|2,0,0]=4 3459 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [2,0,0,0,0,0|2,0,0]=4 3460 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [2,0,0,0,0,0|2,0,0]=4 3461 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [2,0,0,0,0,0|2,0,0]=4 3462 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [2,0,0,0,0,0|2,0,0]=4 3463 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [2,0,0,0,0,0|2,0,0]=4 3464 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [2,0,0,0,0,0|2,0,0]=4 3465 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [2,0,0,0,0,0|2,0,0]=4 3466 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [2,0,0,0,0,0|0,0,2]=4 3467 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [2,0,0,0,0,0|0,0,2]=4 3468 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [2,0,0,0,0,0|0,0,2]=4 3469 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [2,0,0,0,0,0|0,0,2]=4 3470 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [2,0,0,0,0,0|0,0,0]=2 3471 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [2,0,0,0,0,0|0,0,0]=2 3472 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [2,0,0,0,0,0|1,0,0]=3 3473 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [2,0,0,0,0,0|1,0,0]=3 3474 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [2,0,0,0,0,0|1,0,0]=3 3475 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [2,0,0,0,0,0|1,0,0]=3 3476 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [2,0,0,0,0,0|1,0,0]=3 3477 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [2,0,0,0,0,0|1,0,0]=3 3478 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [2,0,0,0,0,0|1,0,0]=3 3479 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [2,0,0,0,0,0|1,0,0]=3 3480 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [2,0,0,0,0,0|1,0,0]=3 3481 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [2,0,0,0,0,0|1,0,0]=3 3482 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [2,0,0,0,0,0|2,0,0]=4 3483 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [2,0,0,0,0,0|2,0,0]=4 3484 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [2,0,0,0,0,0|2,0,0]=4 3485 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [2,0,0,0,0,0|2,0,0]=4 3486 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [2,0,0,0,0,0|2,0,0]=4 3487 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [2,0,0,0,0,0|0,0,2]=4 3488 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [2,0,0,0,0,0|0,0,0]=2 3489 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [2,0,0,0,0,0|2,0,0]=4 3490 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [2,0,0,0,0,0|2,0,0]=4 3491 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [2,0,0,0,0,0|2,0,0]=4 3492 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [2,0,0,0,0,0|2,0,0]=4 3493 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [2,0,0,0,0,0|2,0,0]=4 3494 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [2,0,0,0,0,0|2,0,0]=4 3495 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [2,0,0,0,0,0|2,0,0]=4 3496 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [2,0,0,0,0,0|2,0,0]=4 3497 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [2,0,0,0,0,0|2,0,0]=4 3498 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [2,0,0,0,0,0|1,0,0]=3 3499 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [2,0,0,0,0,0|1,0,1]=4 3500 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [2,0,0,0,0,0|2,0,0]=4 3501 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [2,0,0,0,0,0|1,0,0]=3 3502 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [2,0,0,0,0,0|1,0,1]=4 3503 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [2,0,0,0,0,0|2,0,0]=4 3504 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [2,0,0,0,0,0|2,0,0]=4 3505 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [2,0,0,0,0,0|1,0,0]=3 3506 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [2,0,0,0,0,0|1,0,1]=4 3507 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [2,0,0,0,0,0|1,0,1]=4 3508 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [2,0,0,0,0,0|2,0,0]=4 3509 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [2,0,0,0,0,0|2,0,0]=4 3510 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [2,0,0,0,0,0|2,0,0]=4 3511 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [2,0,0,0,0,0|2,0,0]=4 3512 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [2,0,0,0,0,0|1,0,0]=3 3513 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|1,0,1]=4 3514 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|2,0,0]=4 3515 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|2,0,0]=4 3516 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [1,1,0,0,0,0|2,0,0]=4 3517 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [1,1,0,0,0,0|2,0,0]=4 3518 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|1,0,0]=3 3519 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|1,0,0]=3 3520 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [1,1,0,0,0,0|2,0,0]=4 3521 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [1,1,0,0,0,0|2,0,0]=4 3522 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3523 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [1,1,0,0,0,0|2,0,0]=4 3524 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,1,0,0,0,0|1,0,1]=4 3525 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,1,0,0,0,0|1,0,1]=4 3526 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,1,0,0,0,0|1,0,1]=4 3527 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,0]=3 3528 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,0]=3 3529 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,0]=3 3530 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [1,1,0,0,0,0|2,0,0]=4 3531 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,1,0,0,0,0|2,0,0]=4 3532 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,0]=3 3533 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,1,0,0,0,0|2,0,0]=4 3534 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3535 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3536 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3537 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 3538 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,1,0,0,0,0|1,0,1]=4 3539 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,1,0,0,0,0|1,0,1]=4 3540 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,1,0,0,0,0|1,0,1]=4 3541 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3542 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3543 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3544 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 3545 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|2,0,0]=4 3546 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 3547 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 3548 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 3549 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 3550 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 3551 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [1,1,0,0,0,0|2,0,0]=4 3552 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [1,1,0,0,0,0|2,0,0]=4 3553 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|1,0,0]=3 3554 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|2,0,0]=4 3555 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|2,0,0]=4 3556 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3557 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3558 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3559 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,1,0,0,0,0|2,0,0]=4 3560 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 3561 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|1,0,0]=3 3562 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|2,0,0]=4 3563 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|2,0,0]=4 3564 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3565 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3566 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3567 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 3568 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [1,1,0,0,0,0|2,0,0]=4 3569 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [1,1,0,0,0,0|2,0,0]=4 3570 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|1,0,0]=3 3571 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|1,0,0]=3 3572 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 3573 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 3574 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 3575 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 3576 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|2,0,0]=4 3577 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|2,0,0]=4 3578 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|2,0,0]=4 3579 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|2,0,0]=4 3580 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3581 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3582 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3583 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 3584 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|2,0,0]=4 3585 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|2,0,0]=4 3586 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|2,0,0]=4 3587 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|2,0,0]=4 3588 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3589 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3590 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3591 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 3592 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [1,1,0,0,0,0|2,0,0]=4 3593 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [1,1,0,0,0,0|2,0,0]=4 3594 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|1,0,0]=3 3595 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|1,0,0]=3 3596 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3597 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [1,1,0,0,0,0|2,0,0]=4 3598 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|2,0,0]=4 3599 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|2,0,0]=4 3600 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,1,0,0,0,0|1,0,1]=4 3601 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,1,0,0,0,0|1,0,1]=4 3602 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 3603 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 3604 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,1,0,0,0,0|1,0,1]=4 3605 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [1,1,0,0,0,0|0,0,2]=4 3606 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [1,1,0,0,0,0|0,0,2]=4 3607 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [1,1,0,0,0,0|0,0,2]=4 3608 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|1,0,1]=4 3609 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|1,0,1]=4 3610 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 3611 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 3612 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 3613 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,1,0,0,0,0|0,0,2]=4 3614 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,1,0,0,0,0|0,0,2]=4 3615 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,1,0,0,0,0|0,0,2]=4 3616 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,1,0,0,0,0|0,0,2]=4 3617 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [1,1,0,0,0,0|0,0,2]=4 3618 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,1,0,0,0,0|0,0,2]=4 3619 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,1,0,0,0,0|0,0,2]=4 3620 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,1,0,0,0,0|1,0,1]=4 3621 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [1,1,0,0,0,0|1,0,1]=4 3622 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,1,0,0,0,0|1,0,1]=4 3623 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [1,1,0,0,0,0|1,0,1]=4 3624 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,1,0,0,0,0|1,0,1]=4 3625 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [1,1,0,0,0,0|1,0,1]=4 3626 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|1,0,1]=4 3627 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 3628 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 3629 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 3630 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|1,0,1]=4 3631 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|1,0,1]=4 3632 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,1,0,0,0,0|1,0,1]=4 3633 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|1,0,1]=4 3634 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,1,0,0,0,0|1,0,1]=4 3635 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|1,0,1]=4 3636 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,1,0,0,0,0|1,0,1]=4 3637 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3638 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3639 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 3640 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,1,0,0,0,0|1,0,1]=4 3641 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,1,0,0,0,0|1,0,1]=4 3642 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,1,0,0,0,0|1,0,1]=4 3643 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,1,0,0,0,0|1,0,1]=4 3644 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,1,0,0,0,0|1,0,1]=4 3645 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,0]=3 3646 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|1,0,0]=3 3647 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|1,0,0]=3 3648 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,0]=3 3649 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,0]=3 3650 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,0]=3 3651 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,0]=3 3652 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,0]=3 3653 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,0]=3 3654 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,0]=3 3655 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|2,0,0]=4 3656 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|2,0,0]=4 3657 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,1,0,0,0,0|2,0,0]=4 3658 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,1,0,0,0,0|2,0,0]=4 3659 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|2,0,0]=4 3660 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|2,0,0]=4 3661 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,1,0,0,0,0|2,0,0]=4 3662 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,1,0,0,0,0|2,0,0]=4 3663 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,1,0,0,0,0|2,0,0]=4 3664 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,1,0,0,0,0|2,0,0]=4 3665 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3666 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3667 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3668 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,1,0,0,0,0|2,0,0]=4 3669 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3670 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|2,0,0]=4 3671 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3672 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3673 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,1,0,0,0,0|2,0,0]=4 3674 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3675 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3676 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3677 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,1,0,0,0,0|2,0,0]=4 3678 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,1,0,0,0,0|2,0,0]=4 3679 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|2,0,0]=4 3680 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,1,0,0,0,0|2,0,0]=4 3681 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,1,0,0,0,0|1,0,1]=4 3682 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3683 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,1,0,0,0,0|1,0,1]=4 3684 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|1,0,0]=3 3685 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|1,0,0]=3 3686 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|2,0,0]=4 3687 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|2,0,0]=4 3688 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|2,0,0]=4 3689 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|2,0,0]=4 3690 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|2,0,0]=4 3691 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|2,0,0]=4 3692 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|2,0,0]=4 3693 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|2,0,0]=4 3694 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|2,0,0]=4 3695 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|2,0,0]=4 3696 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|2,0,0]=4 3697 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|2,0,0]=4 3698 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|2,0,0]=4 3699 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3700 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3701 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 3702 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,1,0,0,0,0|2,0,0]=4 3703 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 3704 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,1]=4 3705 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 3706 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3707 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3708 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3709 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,0]=3 3710 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|2,0,0]=4 3711 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,1,0,0,0,0|2,0,0]=4 3712 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,1,0,0,0,0|2,0,0]=4 3713 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,1,0,0,0,0|2,0,0]=4 3714 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3715 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3716 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3717 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,1,0,0,0,0|2,0,0]=4 3718 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,1,0,0,0,0|2,0,0]=4 3719 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3720 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3721 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3722 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,1,0,0,0,0|2,0,0]=4 3723 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,1,0,0,0,0|2,0,0]=4 3724 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,1,0,0,0,0|2,0,0]=4 3725 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,1,0,0,0,0|2,0,0]=4 3726 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,1,0,0,0,0|2,0,0]=4 3727 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3728 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3729 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3730 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3731 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|1,0,0]=3 3732 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|1,0,0]=3 3733 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3734 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,1,0,0,0,0|2,0,0]=4 3735 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,1,0,0,0,0|2,0,0]=4 3736 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,1,0,0,0,0|2,0,0]=4 3737 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,1,0,0,0,0|2,0,0]=4 3738 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,1,0,0,0,0|2,0,0]=4 3739 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,1,0,0,0,0|2,0,0]=4 3740 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,1,0,0,0,0|2,0,0]=4 3741 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,1,0,0,0,0|2,0,0]=4 3742 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,1,0,0,0,0|2,0,0]=4 3743 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,1,0,0,0,0|2,0,0]=4 3744 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|1,0,0]=3 3745 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,1,0,0,0,0|2,0,0]=4 3746 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3747 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,1,0,0,0,0|2,0,0]=4 3748 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 3749 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|1,0,0]=3 3750 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|2,0,0]=4 3751 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|2,0,0]=4 3752 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3753 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3754 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|1,0,0]=3 3755 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|1,0,0]=3 3756 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,1,0,0,0,0|2,0,0]=4 3757 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,1,0,0,0,0|2,0,0]=4 3758 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|0,0,0]=2 3759 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|1,0,0]=3 3760 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|1,0,0]=3 3761 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|1,0,0]=3 3762 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,1,0,0,0,0|2,0,0]=4 3763 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|2,0,0]=4 3764 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3765 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3766 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|1,0,0]=3 3767 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|1,0,0]=3 3768 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|1,0,0]=3 3769 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,1,0,0,0,0|2,0,0]=4 3770 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,1,0,0,0,0|2,0,0]=4 3771 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,1,0,0,0,0|2,0,0]=4 3772 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|0,0,0]=2 3773 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|0,0,0]=2 3774 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3775 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3776 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,1,0,0,0,0|1,0,1]=4 3777 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3778 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3779 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|1,0,0]=3 3780 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3781 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3782 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|1,0,0]=3 3783 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,1,0,0,0,0|2,0,0]=4 3784 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3785 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3786 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|1,0,0]=3 3787 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3788 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3789 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|1,0,0]=3 3790 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|1,0,0]=3 3791 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|1,0,0]=3 3792 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,1,0,0,0,0|2,0,0]=4 3793 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,1,0,0,0,0|2,0,0]=4 3794 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,1,0,0,0,0|2,0,0]=4 3795 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,1,0,0,0,0|2,0,0]=4 3796 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,1,0,0,0,0|2,0,0]=4 3797 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,1,0,0,0,0|2,0,0]=4 3798 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,1,0,0,0,0|2,0,0]=4 3799 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,1,0,0,0,0|2,0,0]=4 3800 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,1,0,0,0,0|2,0,0]=4 3801 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,1,0,0,0,0|2,0,0]=4 3802 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,1,0,0,0,0|2,0,0]=4 3803 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,1,0,0,0,0|2,0,0]=4 3804 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,1,0,0,0,0|2,0,0]=4 3805 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,1,0,0,0,0|2,0,0]=4 3806 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,1,0,0,0,0|2,0,0]=4 3807 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,1,0,0,0,0|2,0,0]=4 3808 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,1,0,0,0,0|2,0,0]=4 3809 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,1,0,0,0,0|2,0,0]=4 3810 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,1,0,0,0,0|2,0,0]=4 3811 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,1,0,0,0,0|2,0,0]=4 3812 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3813 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3814 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3815 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3816 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 3817 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 3818 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3819 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,1,0,0,0,0|2,0,0]=4 3820 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3821 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 3822 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3823 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,1,0,0,0,0|2,0,0]=4 3824 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 3825 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3826 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3827 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3828 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3829 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 3830 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 3831 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|1,0,0]=3 3832 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|1,0,0]=3 3833 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|0,0,0]=2 3834 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,1,0,0,0,0|1,0,1]=4 3835 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,1,0,0,0,0|0,0,2]=4 3836 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,1,0,0,0,0|0,0,2]=4 3837 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,1,0,0,0,0|0,0,2]=4 3838 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,1,0,0,0,0|0,0,2]=4 3839 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,1,0,0,0,0|0,0,2]=4 3840 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,1,0,0,0,0|0,0,2]=4 3841 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,1,0,0,0,0|0,0,2]=4 3842 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,1,0,0,0,0|0,0,2]=4 3843 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|0,0,0]=2 3844 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|0,0,0]=2 3845 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|0,0,0]=2 3846 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|0,0,0]=2 3847 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|0,0,0]=2 3848 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|0,0,0]=2 3849 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|0,0,0]=2 3850 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|0,0,0]=2 3851 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|0,0,0]=2 3852 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|0,0,0]=2 3853 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|0,0,0]=2 3854 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|0,0,0]=2 3855 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,1,0,0,0,0|1,0,0]=3 3856 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,1,0,0,0,0|1,0,0]=3 3857 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,1,0,0,0,0|1,0,0]=3 3858 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,1,0,0,0,0|1,0,0]=3 3859 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,1,0,0,0,0|1,0,0]=3 3860 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,1,0,0,0,0|1,0,0]=3 3861 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,1,0,0,0,0|1,0,0]=3 3862 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [1,1,0,0,0,0|1,0,1]=4 3863 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [1,1,0,0,0,0|1,0,1]=4 3864 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,1,0,0,0,0|1,0,1]=4 3865 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,1,0,0,0,0|1,0,1]=4 3866 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,1,0,0,0,0|1,0,0]=3 3867 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,1,0,0,0,0|1,0,0]=3 3868 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,1,0,0,0,0|1,0,0]=3 3869 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,1,0,0,0,0|1,0,0]=3 3870 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,1,0,0,0,0|1,0,0]=3 3871 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,1,0,0,0,0|1,0,0]=3 3872 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,1,0,0,0,0|1,0,0]=3 3873 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,1,0,0,0,0|1,0,0]=3 3874 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,1,0,0,0,0|1,0,0]=3 3875 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3876 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3877 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,1,0,0,0,0|1,0,0]=3 3878 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,1,0,0,0,0|1,0,0]=3 3879 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,1,0,0,0,0|1,0,0]=3 3880 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,1,0,0,0,0|2,0,0]=4 3881 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,1,0,0,0,0|1,0,1]=4 3882 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,1,0,0,0,0|1,0,1]=4 3883 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|2,0,0]=4 3884 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|2,0,0]=4 3885 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|2,0,0]=4 3886 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,1,0,0,0,0|2,0,0]=4 3887 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,1,0,0,0,0|2,0,0]=4 3888 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,1,0,0,0,0|2,0,0]=4 3889 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|0,0,0]=2 3890 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,1,0,0,0,0|2,0,0]=4 3891 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|2,0,0]=4 3892 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|2,0,0]=4 3893 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,1,0,0,0,0|2,0,0]=4 3894 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,1,0,0,0,0|2,0,0]=4 3895 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [1,1,0,0,0,0|2,0,0]=4 3896 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [1,1,0,0,0,0|2,0,0]=4 3897 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [1,1,0,0,0,0|2,0,0]=4 3898 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,1,0,0,0,0|2,0,0]=4 3899 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|2,0,0]=4 3900 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,1,0,0,0,0|2,0,0]=4 3901 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|2,0,0]=4 3902 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|2,0,0]=4 3903 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,1,0,0,0,0|2,0,0]=4 3904 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,1,0,0,0,0|2,0,0]=4 3905 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,1,0,0,0,0|2,0,0]=4 3906 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|2,0,0]=4 3907 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,1,0,0,0,0|2,0,0]=4 3908 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|2,0,0]=4 3909 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|2,0,0]=4 3910 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|2,0,0]=4 3911 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|2,0,0]=4 3912 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|2,0,0]=4 3913 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [1,1,0,0,0,0|1,0,1]=4 3914 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|2,0,0]=4 3915 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|2,0,0]=4 3916 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|2,0,0]=4 3917 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|2,0,0]=4 3918 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|2,0,0]=4 3919 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|2,0,0]=4 3920 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|2,0,0]=4 3921 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|2,0,0]=4 3922 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|2,0,0]=4 3923 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|2,0,0]=4 3924 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|2,0,0]=4 3925 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,0]=3 3926 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,0]=3 3927 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|2,0,0]=4 3928 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|2,0,0]=4 3929 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,0]=3 3930 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|2,0,0]=4 3931 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3932 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3933 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3934 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 3935 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|2,0,0]=4 3936 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3937 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3938 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3939 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 3940 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|2,0,0]=4 3941 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 3942 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 3943 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3944 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3945 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3946 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 3947 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3948 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3949 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3950 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 3951 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 3952 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|2,0,0]=4 3953 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3954 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3955 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3956 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|2,0,0]=4 3957 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 3958 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|2,0,0]=4 3959 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3960 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3961 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3962 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 3963 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|2,0,0]=4 3964 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|2,0,0]=4 3965 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [1,1,0,0,0,0|1,0,1]=4 3966 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [1,1,0,0,0,0|1,0,1]=4 3967 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [1,1,0,0,0,0|0,0,2]=4 3968 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3969 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3970 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3971 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 3972 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|1,0,1]=4 3973 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,2]=4 3974 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [1,1,0,0,0,0|2,0,0]=4 3975 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [1,1,0,0,0,0|2,0,0]=4 3976 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [1,1,0,0,0,0|2,0,0]=4 3977 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|1,0,1]=4 3978 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|1,0,1]=4 3979 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,1,0,0,0,0|0,0,2]=4 3980 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3981 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3982 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 3983 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,1,0,0,0,0|1,0,1]=4 3984 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,1,0,0,0,0|1,0,1]=4 3985 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,1,0,0,0,0|1,0,1]=4 3986 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,1,0,0,0,0|1,0,1]=4 3987 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [1,1,0,0,0,0|1,0,1]=4 3988 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [1,1,0,0,0,0|0,0,2]=4 3989 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|1,0,1]=4 3990 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|1,0,1]=4 3991 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,2]=4 3992 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [1,1,0,0,0,0|1,0,1]=4 3993 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|1,0,0]=3 3994 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [1,1,0,0,0,0|2,0,0]=4 3995 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [1,1,0,0,0,0|2,0,0]=4 3996 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [1,1,0,0,0,0|2,0,0]=4 3997 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [1,1,0,0,0,0|2,0,0]=4 3998 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|1,0,0]=3 3999 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|2,0,0]=4 4000 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|2,0,0]=4 4001 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|2,0,0]=4 4002 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|2,0,0]=4 4003 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 4004 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 4005 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 4006 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [1,1,0,0,0,0|2,0,0]=4 4007 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [1,1,0,0,0,0|1,0,1]=4 4008 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|1,0,1]=4 4009 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [1,1,0,0,0,0|1,0,1]=4 4010 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [1,1,0,0,0,0|1,0,1]=4 4011 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,0]=3 4012 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,0]=3 4013 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|1,0,0]=3 4014 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,0]=3 4015 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,0]=3 4016 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,0]=3 4017 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,0]=3 4018 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,0]=2 4019 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,1,0]=3 4020 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 4021 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 4022 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 4023 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 4024 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 4025 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 4026 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 4027 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 4028 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 4029 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 4030 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 4031 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 4032 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,0]=3 4033 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 4034 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 4035 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|1,0,1]=4 4036 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 4037 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 4038 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 4039 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|1,0,1]=4 4040 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|1,0,1]=4 4041 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|1,0,1]=4 4042 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 4043 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 4044 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [1,1,0,0,0,0|1,0,1]=4 4045 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 4046 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 4047 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 4048 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 4049 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 4050 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 4051 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 4052 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 4053 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 4054 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 4055 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [1,1,0,0,0,0|2,0,0]=4 4056 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [1,1,0,0,0,0|2,0,0]=4 4057 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 4058 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 4059 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 4060 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,0]=3 4061 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 4062 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 4063 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 4064 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 4065 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 4066 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [1,1,0,0,0,0|1,1,0]=4 4067 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [1,1,0,0,0,0|1,1,0]=4 4068 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 4069 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 4070 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 4071 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 4072 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [1,1,0,0,0,0|2,0,0]=4 4073 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 4074 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 4075 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 4076 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [1,1,0,0,0,0|2,0,0]=4 4077 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 4078 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 4079 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 4080 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [1,1,0,0,0,0|2,0,0]=4 4081 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 4082 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,0]=3 4083 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,0]=3 4084 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,0]=3 4085 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,0]=3 4086 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,1,0,0,0,0|2,0,0]=4 4087 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,1,0,0,0,0|2,0,0]=4 4088 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|1,0,0]=3 4089 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|1,0,0]=3 4090 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|1,0,0]=3 4091 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|1,0,0]=3 4092 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|1,0,0]=3 4093 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [1,1,0,0,0,0|2,0,0]=4 4094 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [1,1,0,0,0,0|2,0,0]=4 4095 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [1,1,0,0,0,0|2,0,0]=4 4096 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [1,1,0,0,0,0|2,0,0]=4 4097 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [1,1,0,0,0,0|2,0,0]=4 4098 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [1,1,0,0,0,0|1,0,1]=4 4099 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,0]=3 4100 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,0]=3 4101 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,0]=3 4102 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,0]=3 4103 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 4104 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 4105 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 4106 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 4107 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 4108 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 4109 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,1,0,0,0,0|1,1,0]=4 4110 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,1,0]=4 4111 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,1,0,0,0,0|1,1,0]=4 4112 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,1,0,0,0,0|1,1,0]=4 4113 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 4114 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 4115 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 4116 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 4117 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 4118 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 4119 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,1,0,0,0,0|2,0,0]=4 4120 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|2,0,0]=4 4121 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [1,1,0,0,0,0|2,0,0]=4 4122 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [1,1,0,0,0,0|2,0,0]=4 4123 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [1,1,0,0,0,0|2,0,0]=4 4124 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 4125 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 4126 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 4127 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 4128 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 4129 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 4130 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,1,0,0,0,0|2,0,0]=4 4131 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|2,0,0]=4 4132 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [1,1,0,0,0,0|2,0,0]=4 4133 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 4134 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 4135 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 4136 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 4137 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 4138 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 4139 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,1,0,0,0,0|1,0,1]=4 4140 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [1,1,0,0,0,0|1,0,1]=4 4141 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,1,0,0,0,0|1,0,1]=4 4142 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,1,0,0,0,0|1,0,1]=4 4143 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [1,1,0,0,0,0|1,0,1]=4 4144 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,1,0,0,0,0|1,0,1]=4 4145 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,1,0,0,0,0|2,0,0]=4 4146 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,1,0,0,0,0|2,0,0]=4 4147 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,1,0,0,0,0|2,0,0]=4 4148 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,1,0,0,0,0|2,0,0]=4 4149 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,1,0,0,0,0|2,0,0]=4 4150 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,1,0,0,0,0|2,0,0]=4 4151 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,1,0,0,0,0|2,0,0]=4 4152 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,1,0,0,0,0|2,0,0]=4 4153 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,1,0,0,0,0|2,0,0]=4 4154 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,1,0,0,0,0|2,0,0]=4 4155 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,1,0,0,0,0|2,0,0]=4 4156 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [1,1,0,0,0,0|2,0,0]=4 4157 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|1,0,1]=4 4158 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|1,0,1]=4 4159 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|1,0,0]=3 4160 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|1,0,0]=3 4161 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,0]=3 4162 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,0]=3 4163 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,1,0,0,0,0|2,0,0]=4 4164 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,1,0,0,0,0|2,0,0]=4 4165 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,1,0,0,0,0|2,0,0]=4 4166 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|1,0,0]=3 4167 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|2,0,0]=4 4168 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 4169 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 4170 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 4171 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 4172 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,1,0,0,0,0|1,0,1]=4 4173 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 4174 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 4175 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 4176 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,0]=3 4177 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 4178 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,1,0,0,0,0|2,0,0]=4 4179 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 4180 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 4181 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,1,0,0,0,0|2,0,0]=4 4182 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 4183 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 4184 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 4185 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 4186 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 4187 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 4188 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 4189 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|0,0,1]=3 4190 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|0,0,1]=3 4191 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,1,0,0,0,0|1,0,1]=4 4192 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,1,0,0,0,0|1,0,1]=4 4193 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,1,0,0,0,0|1,0,1]=4 4194 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 4195 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 4196 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|1,0,0]=3 4197 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|1,0,0]=3 4198 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|1,0,0]=3 4199 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|1,0,0]=3 4200 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|1,0,0]=3 4201 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|1,0,0]=3 4202 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|1,0,0]=3 4203 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|1,0,0]=3 4204 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|1,0,0]=3 4205 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|1,0,0]=3 4206 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|1,0,0]=3 4207 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|1,0,0]=3 4208 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|1,0,0]=3 4209 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,1,0,0,0,0|2,0,0]=4 4210 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,1,0,0,0,0|2,0,0]=4 4211 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,1,0,0,0,0|2,0,0]=4 4212 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,1,0,0,0,0|2,0,0]=4 4213 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,1,0,0,0,0|2,0,0]=4 4214 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,1,0,0,0,0|2,0,0]=4 4215 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,1,0,0,0,0|2,0,0]=4 4216 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|1,0,1]=4 4217 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|1,0,1]=4 4218 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|1,0,1]=4 4219 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|1,0,1]=4 4220 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|1,0,1]=4 4221 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|1,0,1]=4 4222 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|1,0,1]=4 4223 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [1,1,0,0,0,0|1,0,1]=4 4224 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [1,1,0,0,0,0|1,0,1]=4 4225 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [1,1,0,0,0,0|1,0,1]=4 4226 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,0]=3 4227 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,0]=3 4228 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [1,1,0,0,0,0|2,0,0]=4 4229 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [1,1,0,0,0,0|2,0,0]=4 4230 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [1,1,0,0,0,0|2,0,0]=4 4231 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [1,1,0,0,0,0|2,0,0]=4 4232 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [1,1,0,0,0,0|2,0,0]=4 4233 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [1,1,0,0,0,0|2,0,0]=4 4234 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 4235 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 4236 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 4237 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 4238 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|1,0,0]=3 4239 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [1,1,0,0,0,0|2,0,0]=4 4240 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [1,1,0,0,0,0|2,0,0]=4 4241 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [1,1,0,0,0,0|2,0,0]=4 4242 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [1,1,0,0,0,0|2,0,0]=4 4243 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [1,1,0,0,0,0|2,0,0]=4 4244 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 4245 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 4246 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 4247 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [1,1,0,0,0,0|2,0,0]=4 4248 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 4249 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 4250 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 4251 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 4252 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [1,1,0,0,0,0|2,0,0]=4 4253 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [1,1,0,0,0,0|2,0,0]=4 4254 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|1,0,0]=3 4255 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [1,1,0,0,0,0|2,0,0]=4 4256 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 4257 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 4258 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 4259 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 4260 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 4261 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 4262 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 4263 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 4264 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 4265 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [1,1,0,0,0,0|2,0,0]=4 4266 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 4267 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 4268 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 4269 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [1,1,0,0,0,0|2,0,0]=4 4270 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 4271 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 4272 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 4273 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 4274 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [1,1,0,0,0,0|2,0,0]=4 4275 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [1,1,0,0,0,0|2,0,0]=4 4276 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|1,0,0]=3 4277 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,0]=3 4278 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [1,1,0,0,0,0|1,1,0]=4 4279 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|1,0,1]=4 4280 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|1,0,1]=4 4281 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|1,0,1]=4 4282 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|1,0,1]=4 4283 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|1,0,0]=3 4284 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|1,0,0]=3 4285 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|1,0,0]=3 4286 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|2,0,0]=4 4287 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|2,0,0]=4 4288 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,0]=3 4289 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,0]=3 4290 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,0]=3 4291 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 4292 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 4293 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|1,0,0]=3 4294 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|2,0,0]=4 4295 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [1,1,0,0,0,0|1,0,1]=4 4296 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [1,1,0,0,0,0|1,0,1]=4 4297 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 4298 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 4299 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 4300 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [1,1,0,0,0,0|1,0,1]=4 4301 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 4302 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [1,1,0,0,0,0|1,0,1]=4 4303 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 4304 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 4305 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [1,1,0,0,0,0|2,0,0]=4 4306 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|1,0,1]=4 4307 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|1,0,1]=4 4308 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [1,1,0,0,0,0|2,0,0]=4 4309 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [1,1,0,0,0,0|2,0,0]=4 4310 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [1,1,0,0,0,0|2,0,0]=4 4311 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [1,1,0,0,0,0|2,0,0]=4 4312 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,1,0,0,0,0|2,0,0]=4 4313 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,1,0,0,0,0|2,0,0]=4 4314 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,1,0,0,0,0|2,0,0]=4 4315 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,1,0,0,0,0|2,0,0]=4 4316 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,1,0,0,0,0|2,0,0]=4 4317 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,1,0,0,0,0|2,0,0]=4 4318 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,1,0,0,0,0|2,0,0]=4 4319 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,1,0,0,0,0|1,0,1]=4 4320 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,1,0,0,0,0|1,0,1]=4 4321 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [1,1,0,0,0,0|0,0,2]=4 4322 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [1,1,0,0,0,0|0,0,2]=4 4323 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [1,1,0,0,0,0|0,0,2]=4 4324 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [1,1,0,0,0,0|0,0,2]=4 4325 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [1,1,0,0,0,0|0,0,2]=4 4326 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [1,1,0,0,0,0|0,0,2]=4 4327 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 4328 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 4329 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 4330 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 4331 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|1,0,1]=4 4332 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|1,0,1]=4 4333 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,1,0,0,0,0|1,0,1]=4 4334 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,1,0,0,0,0|1,0,1]=4 4335 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,1,0,0,0,0|1,0,1]=4 4336 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,1,0,0,0,0|1,0,1]=4 4337 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,1,0,0,0,0|1,0,1]=4 4338 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|1,0,1]=4 4339 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|1,0,1]=4 4340 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|1,0,1]=4 4341 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|1,0,1]=4 4342 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [1,1,0,0,0,0|0,0,2]=4 4343 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,1,0,0,0,0|0,0,2]=4 4344 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,1,0,0,0,0|0,0,2]=4 4345 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|0,0,1]=3 4346 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|0,0,1]=3 4347 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|0,0,1]=3 4348 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|0,0,1]=3 4349 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|0,0,1]=3 4350 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|0,0,1]=3 4351 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,1,0,0,0,0|0,1,1]=4 4352 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,1,0,0,0,0|0,1,1]=4 4353 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|0,1,1]=4 4354 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|0,1,1]=4 4355 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 4356 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,1,0,0,0,0|2,0,0]=4 4357 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 4358 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|2,0,0]=4 4359 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,1,0,0,0,0|2,0,0]=4 4360 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,1,0,0,0,0|2,0,0]=4 4361 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 4362 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,1,0,0,0,0|2,0,0]=4 4363 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,1,0,0,0,0|2,0,0]=4 4364 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,1,0,0,0,0|2,0,0]=4 4365 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|2,0,0]=4 4366 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|2,0,0]=4 4367 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,1,0,0,0,0|2,0,0]=4 4368 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,1,0,0,0,0|2,0,0]=4 4369 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|2,0,0]=4 4370 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|2,0,0]=4 4371 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [1,1,0,0,0,0|1,0,1]=4 4372 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [1,1,0,0,0,0|1,0,1]=4 4373 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [1,1,0,0,0,0|1,0,1]=4 4374 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [1,1,0,0,0,0|1,0,1]=4 4375 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [1,1,0,0,0,0|1,0,1]=4 4376 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [1,1,0,0,0,0|1,0,1]=4 4377 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [1,1,0,0,0,0|1,0,1]=4 4378 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|1,0,1]=4 4379 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|1,0,1]=4 4380 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|1,0,1]=4 4381 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|1,0,1]=4 4382 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|1,0,1]=4 4383 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [1,1,0,0,0,0|1,0,1]=4 4384 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [1,1,0,0,0,0|1,0,1]=4 4385 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [1,1,0,0,0,0|1,0,1]=4 4386 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [1,1,0,0,0,0|1,0,1]=4 4387 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [1,1,0,0,0,0|1,0,1]=4 4388 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [1,1,0,0,0,0|1,0,1]=4 4389 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [1,1,0,0,0,0|1,0,1]=4 4390 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [1,1,0,0,0,0|1,0,1]=4 4391 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [1,1,0,0,0,0|1,0,1]=4 4392 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [1,1,0,0,0,0|1,0,1]=4 4393 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [1,1,0,0,0,0|1,0,1]=4 4394 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [1,1,0,0,0,0|1,0,1]=4 4395 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [1,1,0,0,0,0|1,0,1]=4 4396 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|1,0,1]=4 4397 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|1,0,1]=4 4398 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|1,0,1]=4 4399 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [1,1,0,0,0,0|1,0,1]=4 4400 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [1,1,0,0,0,0|1,0,1]=4 4401 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [1,1,0,0,0,0|1,0,1]=4 4402 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [1,1,0,0,0,0|1,0,1]=4 4403 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|1,0,1]=4 4404 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|1,0,1]=4 4405 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|1,0,1]=4 4406 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|1,0,1]=4 4407 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,1,0,0,0,0|1,0,1]=4 4408 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|1,0,1]=4 4409 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4410 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4411 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|1,0,0]=3 4412 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4413 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4414 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|1,0,0]=3 4415 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|1,0,0]=3 4416 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4417 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4418 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 4419 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 4420 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|2,0,0]=4 4421 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|1,0,0]=3 4422 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|1,0,0]=3 4423 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|2,0,0]=4 4424 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|2,0,0]=4 4425 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|2,0,0]=4 4426 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|2,0,0]=4 4427 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|2,0,0]=4 4428 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|1,0,0]=3 4429 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|1,0,0]=3 4430 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|2,0,0]=4 4431 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|2,0,0]=4 4432 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|2,0,0]=4 4433 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|2,0,0]=4 4434 B9R0.2 CC=C=CCCOC(C)C 34a_100011020354_100000210206 [1,1,0,0,0,0|1,0,1]=4 4435 B9R0.2 CCC#CCCOC(C)C 34a_100000036655_100000210206 [1,1,0,0,0,0|1,0,1]=4 4436 B9R0.2 CCC#CCCOC(C)C 7a_100000036655_100000210206 [1,1,0,0,0,0|1,0,1]=4 4437 B9R0.2 CCC#CCNCC(C)C 2230a_100000210953_100009813939 [1,1,0,0,0,0|1,0,1]=4 4438 B9R0.2 CCC#CCNCC(C)C 34a_100000210953_100009813939 [1,1,0,0,0,0|1,0,1]=4 4439 B9R0.2 CCC#CCOCC(C)C 34a_100000032950_100000210624 [1,1,0,0,0,0|1,0,1]=4 4440 B9R0.2 CCC#CCOCC(C)C 34a_100000210257_100009813939 [1,1,0,0,0,0|1,0,1]=4 4441 B9R0.2 CCC#CCSCC(C)C 62a_100000210624_100009813939 [1,1,0,0,0,0|1,0,1]=4 4442 B9R0.2 CCC#CCSCC(C)C 62a_100009813939_100000210760 [1,1,0,0,0,0|1,0,1]=4 4443 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [1,1,0,0,0,0|1,0,1]=4 4444 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [1,1,0,0,0,0|1,0,1]=4 4445 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,1]=4 4446 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4447 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4448 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4449 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,1]=4 4450 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4451 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,1]=4 4452 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,1]=4 4453 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,1]=4 4454 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,1]=4 4455 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,1]=4 4456 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,1]=4 4457 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,1]=4 4458 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,1]=4 4459 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,1]=4 4460 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|1,0,1]=4 4461 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|1,0,1]=4 4462 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,1,0,0,0,0|1,0,1]=4 4463 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,1,0,0,0,0|1,0,1]=4 4464 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,1,0,0,0,0|1,0,1]=4 4465 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|1,0,1]=4 4466 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|1,0,1]=4 4467 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|1,0,1]=4 4468 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|1,0,1]=4 4469 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,1,0,0,0,0|1,0,1]=4 4470 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,1,0,0,0,0|1,0,1]=4 4471 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4472 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4473 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 4474 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 4475 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 4476 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 4477 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|0,0,1]=3 4478 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|0,0,1]=3 4479 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|0,0,1]=3 4480 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 4481 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,1,0,0,0,0|1,0,1]=4 4482 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,1,0,0,0,0|1,0,1]=4 4483 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,1,0,0,0,0|1,0,1]=4 4484 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,1,0,0,0,0|1,0,1]=4 4485 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,1,0,0,0,0|1,0,1]=4 4486 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,1,0,0,0,0|1,0,1]=4 4487 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,1,0,0,0,0|1,0,1]=4 4488 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,1,0,0,0,0|1,0,1]=4 4489 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,1,0,0,0,0|1,0,1]=4 4490 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,1,0,0,0,0|1,0,1]=4 4491 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,1,0,0,0,0|1,0,1]=4 4492 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,1,0,0,0,0|1,0,1]=4 4493 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,1,0,0,0,0|1,0,1]=4 4494 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,1,0,0,0,0|1,0,1]=4 4495 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,1,0,0,0,0|1,0,1]=4 4496 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,1,0,0,0,0|1,0,1]=4 4497 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|0,1,1]=4 4498 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|0,1,1]=4 4499 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,1,0,0,0,0|2,0,0]=4 4500 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,1,0,0,0,0|2,0,0]=4 4501 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,1,0,0,0,0|2,0,0]=4 4502 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,1,0,0,0,0|2,0,0]=4 4503 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,1,0,0,0,0|2,0,0]=4 4504 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,1,0,0,0,0|2,0,0]=4 4505 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,1,0,0,0,0|2,0,0]=4 4506 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,1]=4 4507 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,1,0,0,0,0|1,0,1]=4 4508 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,1,0,0,0,0|1,0,1]=4 4509 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|0,0,1]=3 4510 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|0,0,1]=3 4511 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|0,0,1]=3 4512 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,1,0,0,0,0|0,0,1]=3 4513 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,1,0,0,0,0|0,0,1]=3 4514 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,1,0,0,0,0|0,0,1]=3 4515 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,1,0,0,0,0|0,0,1]=3 4516 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,1,0,0,0,0|0,0,1]=3 4517 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,1,0,0,0,0|0,0,1]=3 4518 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,1,0,0,0,0|0,0,1]=3 4519 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,1,0,0,0,0|0,0,1]=3 4520 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,1,0,0,0,0|0,0,1]=3 4521 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,1,0,0,0,0|0,0,1]=3 4522 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,1,0,0,0,0|0,0,1]=3 4523 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,1,0,0,0,0|0,0,1]=3 4524 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,1,0,0,0,0|0,0,1]=3 4525 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,1,0,0,0,0|0,0,1]=3 4526 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,1,0,0,0,0|0,0,1]=3 4527 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,1,0,0,0,0|0,0,1]=3 4528 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|1,0,1]=4 4529 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|1,0,1]=4 4530 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|1,0,1]=4 4531 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|1,0,1]=4 4532 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|1,0,1]=4 4533 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|1,0,1]=4 4534 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,1,0,0,0,0|1,0,1]=4 4535 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|0,0,1]=3 4536 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|0,0,1]=3 4537 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|0,0,1]=3 4538 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|0,0,1]=3 4539 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|0,0,1]=3 4540 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,1,0,0,0,0|1,0,1]=4 4541 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|1,0,1]=4 4542 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|1,0,1]=4 4543 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,1,0,0,0,0|1,0,1]=4 4544 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,1,0,0,0,0|1,0,1]=4 4545 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|1,0,1]=4 4546 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|1,0,1]=4 4547 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,1,0,0,0,0|0,0,1]=3 4548 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,1,0,0,0,0|0,0,1]=3 4549 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,1,0,0,0,0|0,0,1]=3 4550 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,1,0,0,0,0|0,0,1]=3 4551 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|1,0,1]=4 4552 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|1,0,1]=4 4553 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|1,0,1]=4 4554 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|1,0,1]=4 4555 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,1,0,0,0,0|0,0,1]=3 4556 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,1,0,0,0,0|0,0,1]=3 4557 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|1,0,1]=4 4558 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|1,0,1]=4 4559 B9R0.2 CCOCSCCN(C)C 62a_100000739092_100000755713 [1,1,0,0,0,0|1,0,1]=4 4560 B9R0.2 CCOCSCOC(C)C 62a_100000709892_100000739092 [1,1,0,0,0,0|1,0,1]=4 4561 B9R0.2 CCOCSCOC(C)C 62a_100000739092_100000709892 [1,1,0,0,0,0|1,0,1]=4 4562 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|0,1,1]=4 4563 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|0,1,1]=4 4564 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,1,0,0,0,0|0,1,1]=4 4565 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,1,0,0,0,0|0,1,1]=4 4566 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,1,0,0,0,0|0,1,1]=4 4567 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,1,0,0,0,0|0,1,1]=4 4568 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,1,0,0,0,0|0,1,1]=4 4569 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,1,0,0,0,0|0,1,1]=4 4570 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,1,0,0,0,0|0,1,1]=4 4571 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,1,0,0,0,0|0,1,1]=4 4572 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,1,0,0,0,0|0,1,1]=4 4573 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,1,0,0,0,0|0,1,1]=4 4574 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,1,0,0,0,0|0,1,1]=4 4575 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4576 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 4577 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 4578 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|1,0,1]=4 4579 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 4580 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 4581 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|1,0,1]=4 4582 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 4583 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,1,0,0,0,0|2,0,0]=4 4584 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,1,0,0,0,0|2,0,0]=4 4585 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,1,0,0,0,0|2,0,0]=4 4586 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,1,0,0,0,0|2,0,0]=4 4587 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,1,0,0,0,0|2,0,0]=4 4588 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,1,0,0,0,0|2,0,0]=4 4589 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,1,0,0,0,0|2,0,0]=4 4590 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [1,1,0,0,0,0|1,0,1]=4 4591 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [1,1,0,0,0,0|0,1,1]=4 4592 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [1,1,0,0,0,0|0,1,1]=4 4593 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|1,0,1]=4 4594 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|1,0,1]=4 4595 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,1,0,0,0,0|2,0,0]=4 4596 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,1,0,0,0,0|2,0,0]=4 4597 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,1,0,0,0,0|2,0,0]=4 4598 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,1,0,0,0,0|2,0,0]=4 4599 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,1,0,0,0,0|2,0,0]=4 4600 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,1,0,0,0,0|2,0,0]=4 4601 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,1,0,0,0,0|2,0,0]=4 4602 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,1,0,0,0,0|2,0,0]=4 4603 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [1,1,0,0,0,0|1,0,1]=4 4604 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [1,1,0,0,0,0|1,0,1]=4 4605 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [1,1,0,0,0,0|0,0,1]=3 4606 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [1,1,0,0,0,0|1,0,1]=4 4607 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [1,1,0,0,0,0|1,0,1]=4 4608 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [1,1,0,0,0,0|1,0,1]=4 4609 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [1,1,0,0,0,0|0,1,1]=4 4610 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [1,1,0,0,0,0|0,1,1]=4 4611 B9R0.38 CC/C=C\CNC(C)(C)C 2230a_100000715429_100103147603 [1,1,0,0,0,0|2,0,0]=4 4612 B9R0.38 CC/C=C\COC(C)(C)C 34a_100015890283_100103147603 [1,1,0,0,0,0|2,0,0]=4 4613 B9R0.38 CC/C=C\COC(C)(C)C 34a_100016268518_100000210625 [1,1,0,0,0,0|2,0,0]=4 4614 B9R0.38 CC/C=C\COC(C)(C)C 7a_100015890283_100103147603 [1,1,0,0,0,0|2,0,0]=4 4615 B9R0.38 CC/C=C\CSC(C)(C)C 62a_100000211941_100103147603 [1,1,0,0,0,0|2,0,0]=4 4616 B9R0.38 CC/C=C\CSC(C)(C)C 62a_100103147603_100000211941 [1,1,0,0,0,0|2,0,0]=4 4617 B9R0.38 CCCNCCC(C)(C)C 2230a_100000738805_100000210303 [1,1,0,0,0,0|2,0,0]=4 4618 B9R0.38 CCCNCCC(C)(C)F 2230a_100016253952_100000210303 [1,1,0,0,0,0|2,0,0]=4 4619 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [1,1,0,0,0,0|2,0,0]=4 4620 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [1,1,0,0,0,0|2,0,0]=4 4621 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [1,1,0,0,0,0|2,0,0]=4 4622 B9R0.38 CCCSCCC(C)(C)C 62a_100000210303_100000755188 [1,1,0,0,0,0|2,0,0]=4 4623 B9R0.38 CCCSCCC(C)(C)C 62a_100000755188_100000210303 [1,1,0,0,0,0|2,0,0]=4 4624 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [1,1,0,0,0,0|2,0,0]=4 4625 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [1,1,0,0,0,0|2,0,0]=4 4626 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [1,1,0,0,0,0|1,0,1]=4 4627 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [1,1,0,0,0,0|0,0,1]=3 4628 B9R0.38 CCOCCC[N+](C)(C)C 34a_100121572206_100016990835 [1,1,0,0,0,0|1,0,1]=4 4629 B9R0.38 CCOCCC[Si](C)(C)C 34a_100121572206_100011219597 [1,1,0,0,0,0|0,1,1]=4 4630 B9R0.38 CCOCCC[Si](C)(C)C 7a_200011215415_100000210202 [1,1,0,0,0,0|0,1,1]=4 4631 B9R0.38 CCOCCNC(C)(C)C 2230a_100000715429_100011215890 [1,1,0,0,0,0|1,0,1]=4 4632 B9R0.38 CCOCCNC(C)(C)C 34a_102516460346_100000210625 [1,1,0,0,0,0|1,0,1]=4 4633 B9R0.38 CCOCCOC(C)(C)C 34a_100000210136_100000210625 [1,1,0,0,0,0|1,0,1]=4 4634 B9R0.38 CCOCCOC(C)(C)C 34a_100000693234_100000210202 [1,1,0,0,0,0|1,0,1]=4 4635 B9R0.38 CCOCCOC(C)(C)C 34a_100015890283_100000210147 [1,1,0,0,0,0|1,0,1]=4 4636 B9R0.38 CCOCCOC(C)(C)C 7a_100000693234_100000210202 [1,1,0,0,0,0|1,0,1]=4 4637 B9R0.38 CCOCCOC(C)(C)C 7a_100015890283_100011215890 [1,1,0,0,0,0|1,0,1]=4 4638 B9R0.38 CCOCCSC(C)(C)C 62a_100000210147_100000211941 [1,1,0,0,0,0|1,0,1]=4 4639 B9R0.38 CCOCCSC(C)(C)C 62a_100000211941_100011215890 [1,1,0,0,0,0|1,0,1]=4 4640 B9R0.38 CCOCSCC(C)(C)C 62a_100000739092_100011219605 [1,1,0,0,0,0|1,0,1]=4 4641 B9R0.38 CCOCSCC(C)(C)C 62a_100011219605_100000739092 [1,1,0,0,0,0|1,0,1]=4 4642 B9R0.38 CCOCSCC(C)(C)F 62a_100000739092_100011997219 [1,1,0,0,0,0|1,0,1]=4 4643 B9R0.38 CCOCSCC(C)(C)F 62a_100011997219_100000739092 [1,1,0,0,0,0|1,0,1]=4 4644 B9R0.38 CCOCSCC(C)(C)O 62a_100000739092_100000764493 [1,1,0,0,0,0|1,0,1]=4 4645 B9R0.38 CCOCSCC(C)(C)O 62a_100000764493_100000739092 [1,1,0,0,0,0|1,0,1]=4 4646 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [1,1,0,0,0,0|0,1,1]=4 4647 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [1,1,0,0,0,0|0,1,1]=4 4648 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 4649 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 4650 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|2,0,0]=4 4651 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [1,1,0,0,0,0|2,0,0]=4 4652 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|2,0,0]=4 4653 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|2,0,0]=4 4654 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 4655 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 4656 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 4657 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [1,1,0,0,0,0|2,0,0]=4 4658 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|2,0,0]=4 4659 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|2,0,0]=4 4660 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [1,1,0,0,0,0|2,0,0]=4 4661 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [1,1,0,0,0,0|2,0,0]=4 4662 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [1,1,0,0,0,0|2,0,0]=4 4663 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [1,1,0,0,0,0|2,0,0]=4 4664 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [1,1,0,0,0,0|2,0,0]=4 4665 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,1,0,0,0,0|1,0,1]=4 4666 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|1,0,1]=4 4667 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|1,0,1]=4 4668 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|1,0,1]=4 4669 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|1,0,1]=4 4670 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|1,0,1]=4 4671 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|1,0,1]=4 4672 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|1,0,1]=4 4673 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|1,0,1]=4 4674 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|1,0,1]=4 4675 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|1,0,1]=4 4676 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|1,0,1]=4 4677 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|1,0,1]=4 4678 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|1,0,1]=4 4679 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|1,0,1]=4 4680 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|1,0,1]=4 4681 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|1,0,1]=4 4682 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|1,0,1]=4 4683 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|2,0,0]=4 4684 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 4685 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 4686 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|2,0,0]=4 4687 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,1,0,0,0,0|2,0,0]=4 4688 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|0,0,1]=3 4689 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,1,0,0,0,0|1,0,1]=4 4690 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,1,0,0,0,0|1,0,1]=4 4691 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|0,0,1]=3 4692 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,1,0,0,0,0|1,0,1]=4 4693 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,1,0,0,0,0|1,0,1]=4 4694 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,1,0,0,0,0|1,0,1]=4 4695 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|1,0,1]=4 4696 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|1,0,1]=4 4697 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|1,0,1]=4 4698 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|1,0,1]=4 4699 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|1,0,1]=4 4700 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|1,0,1]=4 4701 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [1,1,0,0,0,0|1,0,1]=4 4702 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [1,1,0,0,0,0|1,0,1]=4 4703 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [1,1,0,0,0,0|1,0,1]=4 4704 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 4705 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|1,0,1]=4 4706 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,1,0,0,0,0|1,0,1]=4 4707 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,1,0,0,0,0|1,0,1]=4 4708 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|1,0,1]=4 4709 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [1,1,0,0,0,0|1,0,1]=4 4710 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [1,1,0,0,0,0|1,0,1]=4 4711 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|1,0,1]=4 4712 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|1,0,1]=4 4713 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [1,1,0,0,0,0|1,0,1]=4 4714 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [1,1,0,0,0,0|1,0,1]=4 4715 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [1,1,0,0,0,0|1,0,1]=4 4716 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [1,1,0,0,0,0|1,0,1]=4 4717 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|1,0,1]=4 4718 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|1,0,1]=4 4719 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [1,1,0,0,0,0|1,0,1]=4 4720 B9R0.47 CC(C)C(N)CCOCF 34a_100161115045_100015361967 [1,1,0,0,0,0|1,0,1]=4 4721 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [1,1,0,0,0,0|1,0,1]=4 4722 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [1,1,0,0,0,0|1,0,1]=4 4723 B9R0.47 CC/C=C\CN(C)C(C)C 269982a_200000211004_100103147603 [1,1,0,0,0,0|2,0,0]=4 4724 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [1,1,0,0,0,0|2,0,0]=4 4725 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [1,1,0,0,0,0|2,0,0]=4 4726 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [1,1,0,0,0,0|2,0,0]=4 4727 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [1,1,0,0,0,0|0,0,2]=4 4728 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [1,1,0,0,0,0|0,0,2]=4 4729 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [1,1,0,0,0,0|0,0,2]=4 4730 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [1,1,0,0,0,0|1,0,1]=4 4731 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [1,1,0,0,0,0|0,0,1]=3 4732 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [1,1,0,0,0,0|1,0,1]=4 4733 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [1,1,0,0,0,0|1,0,1]=4 4734 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [1,1,0,0,0,0|1,0,1]=4 4735 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [1,1,0,0,0,0|1,0,1]=4 4736 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [1,1,0,0,0,0|1,0,1]=4 4737 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [1,1,0,0,0,0|0,0,1]=3 4738 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [1,1,0,0,0,0|0,0,1]=3 4739 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [1,1,0,0,0,0|0,0,1]=3 4740 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [1,1,0,0,0,0|0,1,1]=4 4741 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [1,1,0,0,0,0|0,1,1]=4 4742 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [1,1,0,0,0,0|2,0,0]=4 4743 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [1,1,0,0,0,0|2,0,0]=4 4744 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [1,1,0,0,0,0|2,0,0]=4 4745 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [1,1,0,0,0,0|2,0,0]=4 4746 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [1,1,0,0,0,0|2,0,0]=4 4747 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [1,1,0,0,0,0|2,0,0]=4 4748 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [1,1,0,0,0,0|2,0,0]=4 4749 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,1,0,0,0,0|2,0,0]=4 4750 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,1,0,0,0,0|2,0,0]=4 4751 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,1,0,0,0,0|2,0,0]=4 4752 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,1,0,0,0,0|2,0,0]=4 4753 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,1,0,0,0,0|2,0,0]=4 4754 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,1,0,0,0,0|2,0,0]=4 4755 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,1,0,0,0,0|2,0,0]=4 4756 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,1,0,0,0,0|2,0,0]=4 4757 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,1,0,0,0,0|2,0,0]=4 4758 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,1,0,0,0,0|2,0,0]=4 4759 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,1,0,0,0,0|2,0,0]=4 4760 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [1,1,0,0,0,0|2,0,0]=4 4761 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [1,1,0,0,0,0|2,0,0]=4 4762 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,1,0,0,0,0|2,0,0]=4 4763 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,1,0,0,0,0|2,0,0]=4 4764 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,1,0,0,0,0|2,0,0]=4 4765 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,1,0,0,0,0|2,0,0]=4 4766 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [1,1,0,0,0,0|1,0,1]=4 4767 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [1,1,0,0,0,0|1,0,1]=4 4768 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [1,1,0,0,0,0|1,0,1]=4 4769 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [1,1,0,0,0,0|1,0,1]=4 4770 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [1,1,0,0,0,0|1,0,1]=4 4771 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [1,1,0,0,0,0|1,0,1]=4 4772 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [1,1,0,0,0,0|1,0,1]=4 4773 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [1,1,0,0,0,0|1,0,1]=4 4774 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [1,1,0,0,0,0|1,0,1]=4 4775 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [1,1,0,0,0,0|1,0,1]=4 4776 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [1,1,0,0,0,0|1,0,1]=4 4777 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [1,1,0,0,0,0|1,0,1]=4 4778 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [1,1,0,0,0,0|1,0,1]=4 4779 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [1,1,0,0,0,0|1,0,1]=4 4780 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [1,1,0,0,0,0|1,0,1]=4 4781 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [1,1,0,0,0,0|1,0,1]=4 4782 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [1,1,0,0,0,0|1,0,1]=4 4783 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [1,1,0,0,0,0|1,0,1]=4 4784 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [1,1,0,0,0,0|1,0,1]=4 4785 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [1,1,0,0,0,0|0,0,1]=3 4786 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [1,1,0,0,0,0|1,0,1]=4 4787 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [1,1,0,0,0,0|1,0,1]=4 4788 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [1,1,0,0,0,0|1,0,1]=4 4789 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [1,1,0,0,0,0|0,0,2]=4 4790 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [1,1,0,0,0,0|0,0,2]=4 4791 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [1,1,0,0,0,0|0,0,2]=4 4792 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [1,1,0,0,0,0|0,0,2]=4 4793 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [1,1,0,0,0,0|0,0,2]=4 4794 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [1,1,0,0,0,0|0,0,2]=4 4795 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [1,1,0,0,0,0|0,0,2]=4 4796 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [1,1,0,0,0,0|0,0,2]=4 4797 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [1,1,0,0,0,0|0,0,2]=4 4798 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [1,1,0,0,0,0|0,0,2]=4 4799 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [1,1,0,0,0,0|1,0,1]=4 4800 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [1,1,0,0,0,0|1,0,1]=4 4801 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [1,1,0,0,0,0|1,0,1]=4 4802 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [1,1,0,0,0,0|1,0,1]=4 4803 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [1,1,0,0,0,0|1,0,1]=4 4804 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [1,1,0,0,0,0|1,0,0]=3 4805 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [1,1,0,0,0,0|0,0,2]=4 4806 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [1,1,0,0,0,0|0,0,0]=2 4807 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [1,1,0,0,0,0|0,0,0]=2 4808 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [1,1,0,0,0,0|0,0,0]=2 4809 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [1,1,0,0,0,0|1,0,0]=3 4810 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 4811 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 4812 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 4813 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [1,1,0,0,0,0|1,0,0]=3 4814 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [1,1,0,0,0,0|0,0,0]=2 4815 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [1,1,0,0,0,0|0,0,0]=2 4816 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [1,1,0,0,0,0|2,0,0]=4 4817 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [1,1,0,0,0,0|2,0,0]=4 4818 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [1,1,0,0,0,0|2,0,0]=4 4819 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [1,1,0,0,0,0|1,0,1]=4 4820 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [1,1,0,0,0,0|1,0,0]=3 4821 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [1,1,0,0,0,0|1,0,0]=3 4822 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [1,1,0,0,0,0|1,0,0]=3 4823 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [1,1,0,0,0,0|1,0,0]=3 4824 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [1,1,0,0,0,0|1,0,0]=3 4825 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [1,1,0,0,0,0|1,0,0]=3 4826 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [1,1,0,0,0,0|1,0,0]=3 4827 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [1,1,0,0,0,0|1,0,0]=3 4828 B9R0.7 CC(C)CNC(=O)C(F)F 11a_100000210953_100000210393 [1,1,0,0,0,0|2,0,0]=4 4829 B9R0.7 CC(C)CNC(=O)C(F)F 1626a_100000210953_100000210393 [1,1,0,0,0,0|2,0,0]=4 4830 B9R0.7 CC(C)CNC(=O)C(F)F 240690a_100000210953_100000210393 [1,1,0,0,0,0|2,0,0]=4 4831 B9R0.7 CC(C)CNC(=O)C(F)F 527a_100000210953_100000210393 [1,1,0,0,0,0|2,0,0]=4 4832 B9R0.7 CC(C)CNC(=O)C(O)O 240690a_100000210953_100000233687 [1,1,0,0,0,0|2,0,0]=4 4833 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [1,1,0,0,0,0|2,0,0]=4 4834 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [1,1,0,0,0,0|1,0,0]=3 4835 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [1,1,0,0,0,0|1,0,0]=3 4836 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [1,1,0,0,0,0|1,0,0]=3 4837 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [1,1,0,0,0,0|1,0,0]=3 4838 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [1,1,0,0,0,0|1,0,0]=3 4839 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [1,1,0,0,0,0|2,0,0]=4 4840 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [1,1,0,0,0,0|2,0,0]=4 4841 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [1,1,0,0,0,0|2,0,0]=4 4842 B9R0.7 CC(C)NNC(=O)C(C)C 22a_100000741168_100000210198 [1,1,0,0,0,0|2,0,0]=4 4843 B9R0.7 CC(C)NNC(=O)C(C)F 22a_100000741168_100000062450 [1,1,0,0,0,0|2,0,0]=4 4844 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [1,1,0,0,0,0|2,0,0]=4 4845 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [1,1,0,0,0,0|2,0,0]=4 4846 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [1,1,0,0,0,0|1,0,0]=3 4847 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [1,1,0,0,0,0|1,0,0]=3 4848 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 4849 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 4850 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 4851 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [1,1,0,0,0,0|2,0,0]=4 4852 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [1,1,0,0,0,0|2,0,0]=4 4853 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [1,1,0,0,0,0|1,0,0]=3 4854 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [1,1,0,0,0,0|1,0,0]=3 4855 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [1,1,0,0,0,0|1,0,0]=3 4856 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 4857 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 4858 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 4859 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [1,1,0,0,0,0|2,0,0]=4 4860 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [1,1,0,0,0,0|2,0,0]=4 4861 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [1,1,0,0,0,0|2,0,0]=4 4862 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [1,1,0,0,0,0|1,0,0]=3 4863 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [1,1,0,0,0,0|1,0,0]=3 4864 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [1,1,0,0,0,0|2,0,0]=4 4865 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [1,1,0,0,0,0|2,0,0]=4 4866 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [1,1,0,0,0,0|1,0,0]=3 4867 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [1,1,0,0,0,0|1,0,0]=3 4868 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [1,1,0,0,0,0|2,0,0]=4 4869 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [1,1,0,0,0,0|2,0,0]=4 4870 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [1,1,0,0,0,0|2,0,0]=4 4871 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [1,1,0,0,0,0|2,0,0]=4 4872 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [1,1,0,0,0,0|2,0,0]=4 4873 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [1,1,0,0,0,0|2,0,0]=4 4874 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [1,1,0,0,0,0|2,0,0]=4 4875 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [1,1,0,0,0,0|2,0,0]=4 4876 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [1,1,0,0,0,0|2,0,0]=4 4877 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [1,1,0,0,0,0|2,0,0]=4 4878 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [1,1,0,0,0,0|2,0,0]=4 4879 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [1,1,0,0,0,0|2,0,0]=4 4880 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [1,1,0,0,0,0|2,0,0]=4 4881 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [1,1,0,0,0,0|2,0,0]=4 4882 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [1,1,0,0,0,0|2,0,0]=4 4883 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [1,1,0,0,0,0|2,0,0]=4 4884 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [1,1,0,0,0,0|0,0,2]=4 4885 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [1,1,0,0,0,0|0,0,2]=4 4886 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [1,1,0,0,0,0|1,0,0]=3 4887 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [1,1,0,0,0,0|1,0,0]=3 4888 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [1,1,0,0,0,0|2,0,0]=4 4889 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [1,1,0,0,0,0|2,0,0]=4 4890 B9R0.21 CC(C)(C)OCC(=O)CF 1458a_100000686494_100015361967 [1,1,0,0,0,0|2,0,0]=4 4891 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [1,1,0,0,0,0|2,0,0]=4 4892 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [1,1,0,0,0,0|2,0,0]=4 4893 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [1,1,0,0,0,0|2,0,0]=4 4894 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [1,1,0,0,0,0|2,0,0]=4 4895 B9R0.21 CC(F)(F)CCC(=O)CF 1458a_100000030992_100015361967 [1,1,0,0,0,0|2,0,0]=4 4896 B9R0.21 CCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210202 [1,1,0,0,0,0|0,0,2]=4 4897 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [1,1,0,0,0,0|0,0,0]=2 4898 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [1,1,0,0,0,0|0,0,0]=2 4899 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [1,1,0,0,0,0|1,0,0]=3 4900 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000210414_100011219754 [1,1,0,0,0,0|2,0,0]=4 4901 B9R0.21 CCC(=O)CCC(F)(F)F 1458a_100000755318_100000210202 [1,1,0,0,0,0|2,0,0]=4 4902 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [1,1,0,0,0,0|2,0,0]=4 4903 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [1,1,0,0,0,0|2,0,0]=4 4904 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [1,1,0,0,0,0|1,0,0]=3 4905 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [1,1,0,0,0,0|0,1,0]=3 4906 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [1,1,0,0,0,0|0,1,0]=3 4907 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [1,1,0,0,0,0|1,0,0]=3 4908 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [1,1,0,0,0,0|1,0,0]=3 4909 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [1,1,0,0,0,0|1,0,0]=3 4910 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [1,1,0,0,0,0|1,0,0]=3 4911 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [1,1,0,0,0,0|1,0,0]=3 4912 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [1,1,0,0,0,0|1,0,0]=3 4913 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [1,1,0,0,0,0|1,0,0]=3 4914 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [1,1,0,0,0,0|1,0,0]=3 4915 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [1,1,0,0,0,0|1,0,0]=3 4916 B9R0.21 CCC(=O)NCC(C)(C)F 11a_100020643315_100000210414 [1,1,0,0,0,0|1,0,0]=3 4917 B9R0.21 CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210414 [1,1,0,0,0,0|1,0,0]=3 4918 B9R0.21 CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210414 [1,1,0,0,0,0|1,0,0]=3 4919 B9R0.21 CCC(=O)NCC(C)(C)F 527a_100020643315_100000210414 [1,1,0,0,0,0|1,0,0]=3 4920 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [1,1,0,0,0,0|1,0,0]=3 4921 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [1,1,0,0,0,0|1,0,0]=3 4922 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [1,1,0,0,0,0|1,0,0]=3 4923 B9R0.21 CCC(=O)NCC(C)(F)F 11a_100000731000_100000210414 [1,1,0,0,0,0|2,0,0]=4 4924 B9R0.21 CCC(=O)NCC(C)(F)F 1626a_100000731000_100000210414 [1,1,0,0,0,0|2,0,0]=4 4925 B9R0.21 CCC(=O)NCC(C)(F)F 240690a_100000731000_100000210414 [1,1,0,0,0,0|2,0,0]=4 4926 B9R0.21 CCC(=O)NCC(C)(F)F 527a_100000731000_100000210414 [1,1,0,0,0,0|2,0,0]=4 4927 B9R0.21 CCC(=O)NC[Si](C)(C)C 11a_102516607284_100000210414 [1,1,0,0,0,0|1,1,0]=4 4928 B9R0.21 CCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210414 [1,1,0,0,0,0|1,1,0]=4 4929 B9R0.21 CCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210414 [1,1,0,0,0,0|1,1,0]=4 4930 B9R0.21 CCC(=O)NC[Si](C)(C)C 527a_102516607284_100000210414 [1,1,0,0,0,0|1,1,0]=4 4931 B9R0.21 CCC(=O)NNC(C)(C)C 22a_100000725372_100000210414 [1,1,0,0,0,0|2,0,0]=4 4932 B9R0.21 CCN(C)CCC(C)(C)C 2230a_100000225621_100000755188 [1,1,0,0,0,0|2,0,0]=4 4933 B9R0.21 CCN(C)CCC(C)(C)C 269982a_100000225621_100000755188 [1,1,0,0,0,0|2,0,0]=4 4934 B9R0.21 CCN(C)CCC(C)(C)O 2230a_100000225621_100000702414 [1,1,0,0,0,0|2,0,0]=4 4935 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [1,1,0,0,0,0|1,0,0]=3 4936 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [1,1,0,0,0,0|1,0,0]=3 4937 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [1,1,0,0,0,0|1,0,0]=3 4938 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [1,1,0,0,0,0|1,0,0]=3 4939 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [1,1,0,0,0,0|2,0,0]=4 4940 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [1,1,0,0,0,0|2,0,0]=4 4941 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [1,1,0,0,0,0|2,0,0]=4 4942 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [1,1,0,0,0,0|2,0,0]=4 4943 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [1,1,0,0,0,0|1,1,0]=4 4944 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [1,1,0,0,0,0|1,1,0]=4 4945 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [1,1,0,0,0,0|1,1,0]=4 4946 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [1,1,0,0,0,0|2,0,0]=4 4947 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [1,1,0,0,0,0|2,0,0]=4 4948 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [1,1,0,0,0,0|2,0,0]=4 4949 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [1,1,0,0,0,0|2,0,0]=4 4950 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [1,1,0,0,0,0|2,0,0]=4 4951 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [1,1,0,0,0,0|2,0,0]=4 4952 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [1,1,0,0,0,0|2,0,0]=4 4953 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [1,1,0,0,0,0|2,0,0]=4 4954 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [1,1,0,0,0,0|2,0,0]=4 4955 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [1,1,0,0,0,0|2,0,0]=4 4956 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [1,1,0,0,0,0|2,0,0]=4 4957 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [1,1,0,0,0,0|2,0,0]=4 4958 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [1,1,0,0,0,0|2,0,0]=4 4959 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [1,1,0,0,0,0|2,0,0]=4 4960 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [1,1,0,0,0,0|2,0,0]=4 4961 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [1,1,0,0,0,0|2,0,0]=4 4962 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100020643315_106832991635 [1,1,0,0,0,0|2,0,0]=4 4963 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100102657272_100020643315 [1,1,0,0,0,0|2,0,0]=4 4964 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100020643315_100102657272 [1,1,0,0,0,0|2,0,0]=4 4965 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100102657272_100020643315 [1,1,0,0,0,0|2,0,0]=4 4966 B9R0.21 CNC(=O)NCC(C)(C)F 512a_100020643315_100102657272 [1,1,0,0,0,0|2,0,0]=4 4967 B9R0.21 CNC(=O)NCC(C)(C)F 512a_106832991638_100020643315 [1,1,0,0,0,0|2,0,0]=4 4968 B9R0.21 CNC(=O)NCC(C)(C)O 2708a_100102657272_100000751335 [1,1,0,0,0,0|2,0,0]=4 4969 B9R0.21 CNC(=O)NCC(C)(C)O 273464a_100102657272_100000751335 [1,1,0,0,0,0|2,0,0]=4 4970 B9R0.21 CNC(=O)NCC(C)(C)O 512a_100000751335_100102657272 [1,1,0,0,0,0|2,0,0]=4 4971 B9R0.21 CNC(=O)NCC(C)(C)O 512a_106832991638_100000751335 [1,1,0,0,0,0|2,0,0]=4 4972 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [1,1,0,0,0,0|1,0,0]=3 4973 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [1,1,0,0,0,0|1,0,0]=3 4974 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [1,1,0,0,0,0|1,0,0]=3 4975 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [1,1,0,0,0,0|1,0,0]=3 4976 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [1,1,0,0,0,0|1,0,0]=3 4977 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [1,1,0,0,0,0|2,0,0]=4 4978 B9R0.21 C[Si](C)(C)CCC(=O)CF 1458a_100011215282_100015361967 [1,1,0,0,0,0|1,1,0]=4 4979 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [1,1,0,0,0,0|1,1,0]=4 4980 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [1,1,0,0,0,0|0,0,2]=4 4981 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [1,1,0,0,0,0|0,0,2]=4 4982 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [1,1,0,0,0,0|1,0,0]=3 4983 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [1,1,0,0,0,0|2,0,0]=4 4984 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [1,1,0,0,0,0|2,0,0]=4 4985 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [1,1,0,0,0,0|1,0,0]=3 4986 B9R0.23 CC(CN(C)C)C(=O)CF 1458a_200015186601_100015361967 [1,1,0,0,0,0|2,0,0]=4 4987 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [1,1,0,0,0,0|1,0,1]=4 4988 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [1,1,0,0,0,0|0,0,0]=2 4989 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [1,1,0,0,0,0|1,0,0]=3 4990 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [1,1,0,0,0,0|1,0,0]=3 4991 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [1,1,0,0,0,0|1,0,0]=3 4992 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [1,1,0,0,0,0|1,0,0]=3 4993 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [1,1,0,0,0,0|1,0,0]=3 4994 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [1,1,0,0,0,0|1,0,0]=3 4995 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [1,1,0,0,0,0|1,0,0]=3 4996 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [1,1,0,0,0,0|1,0,0]=3 4997 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4998 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [1,1,0,0,0,0|2,0,0]=4 4999 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [1,1,0,0,0,0|0,0,0]=2 5000 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [1,1,0,0,0,0|2,0,0]=4 5001 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [1,1,0,0,0,0|2,0,0]=4 5002 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [1,1,0,0,0,0|2,0,0]=4 5003 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [1,1,0,0,0,0|2,0,0]=4 5004 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [1,1,0,0,0,0|1,0,1]=4 5005 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [1,1,0,0,0,0|2,0,0]=4 5006 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [1,1,0,0,0,0|2,0,0]=4 5007 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [1,1,0,0,0,0|2,0,0]=4 5008 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [1,1,0,0,0,0|2,0,0]=4 5009 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [1,1,0,0,0,0|2,0,0]=4 5010 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [1,1,0,0,0,0|2,0,0]=4 5011 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [1,1,0,0,0,0|2,0,0]=4 5012 B9R0.23 CNC(=O)C(F)NC(C)C 2230a_100138425928_100009813575 [1,1,0,0,0,0|2,0,0]=4 5013 B9R0.23 CNC(=O)C(F)NC(C)C 34a_100138425928_100009813575 [1,1,0,0,0,0|2,0,0]=4 5014 B9R0.23 CNC(=O)C(F)OC(C)C 34a_100000212225_100009813575 [1,1,0,0,0,0|2,0,0]=4 5015 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100000210206_100009813575 [1,1,0,0,0,0|2,0,0]=4 5016 B9R0.23 CNC(=O)C(F)SC(C)C 62a_100009813575_100000210206 [1,1,0,0,0,0|2,0,0]=4 5017 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [1,1,0,0,0,0|2,0,0]=4 5018 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [1,1,0,0,0,0|2,0,0]=4 5019 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [1,1,0,0,0,0|2,0,0]=4 5020 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [1,1,0,0,0,0|2,0,0]=4 5021 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [1,1,0,0,0,0|1,0,0]=3 5022 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [1,1,0,0,0,0|1,0,0]=3 5023 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [1,1,0,0,0,0|1,0,1]=4 5024 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [1,1,0,0,0,0|1,0,1]=4 5025 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [1,1,0,0,0,0|1,0,1]=4 5026 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [1,1,0,0,0,0|1,0,1]=4 5027 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [1,1,0,0,0,0|1,0,0]=3 5028 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [1,1,0,0,0,0|1,0,0]=3 5029 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [1,1,0,0,0,0|1,0,0]=3 5030 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [1,1,0,0,0,0|1,0,0]=3 5031 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [1,1,0,0,0,0|1,0,0]=3 5032 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [1,1,0,0,0,0|1,0,0]=3 5033 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [1,1,0,0,0,0|1,0,0]=3 5034 B9R0.24 C#CC(C)NCC(=O)OC 2230a_100000707721_100000747449 [1,1,0,0,0,0|1,0,1]=4 5035 B9R0.24 C#CC(C)NCC(=O)OC 34a_100000707721_100000747449 [1,1,0,0,0,0|1,0,1]=4 5036 B9R0.24 C#CC(C)OCC(=O)CC 34a_100000725409_200000035995 [1,1,0,0,0,0|1,0,1]=4 5037 B9R0.24 C#CC(C)SCC(=O)CC 62a_200000035995_100000747405 [1,1,0,0,0,0|1,0,1]=4 5038 B9R0.24 C#CC(C)SCC(=O)OC 62a_200000035995_100000747449 [1,1,0,0,0,0|1,0,1]=4 5039 B9R0.24 C#C[C@@H](C)OCC(=O)CC 7a_100009815206_100000747405 [1,1,0,0,0,0|1,0,1]=4 5040 B9R0.24 C#C[C@@H](C)OCC(=O)OC 34a_100009815206_100000747449 [1,1,0,0,0,0|1,0,1]=4 5041 B9R0.24 C#C[C@@H](C)OCC(=O)OC 7a_100009815206_100000747449 [1,1,0,0,0,0|1,0,1]=4 5042 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [1,1,0,0,0,0|1,0,1]=4 5043 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [1,1,0,0,0,0|1,0,1]=4 5044 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [1,1,0,0,0,0|1,0,1]=4 5045 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [1,1,0,0,0,0|2,0,0]=4 5046 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [1,1,0,0,0,0|2,0,0]=4 5047 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [1,1,0,0,0,0|1,0,1]=4 5048 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|1,0,1]=4 5049 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|0,0,0]=2 5050 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,1,0,0,0,0|1,0,0]=3 5051 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [1,1,0,0,0,0|2,0,0]=4 5052 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [1,1,0,0,0,0|1,0,0]=3 5053 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [1,1,0,0,0,0|1,0,0]=3 5054 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [1,1,0,0,0,0|1,0,0]=3 5055 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [1,1,0,0,0,0|1,0,0]=3 5056 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000703298_100000747405 [1,1,0,0,0,0|1,0,1]=4 5057 B9R0.24 CCC(=O)CSC(C)C#N 62a_100000747405_100000703298 [1,1,0,0,0,0|1,0,1]=4 5058 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [1,1,0,0,0,0|1,0,0]=3 5059 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [1,1,0,0,0,0|1,0,0]=3 5060 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [1,1,0,0,0,0|1,0,0]=3 5061 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [1,1,0,0,0,0|1,0,0]=3 5062 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [1,1,0,0,0,0|1,0,0]=3 5063 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [1,1,0,0,0,0|1,0,0]=3 5064 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [1,1,0,0,0,0|1,0,0]=3 5065 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 5066 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 5067 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 5068 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 5069 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [1,1,0,0,0,0|1,0,0]=3 5070 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [1,1,0,0,0,0|1,0,0]=3 5071 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [1,1,0,0,0,0|2,0,0]=4 5072 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [1,1,0,0,0,0|2,0,0]=4 5073 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [1,1,0,0,0,0|2,0,0]=4 5074 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [1,1,0,0,0,0|1,0,0]=3 5075 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [1,1,0,0,0,0|1,0,0]=3 5076 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [1,1,0,0,0,0|1,0,0]=3 5077 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [1,1,0,0,0,0|1,0,0]=3 5078 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 5079 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 5080 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 5081 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 5082 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [1,1,0,0,0,0|2,0,0]=4 5083 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [1,1,0,0,0,0|1,0,0]=3 5084 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,1,0,0,0,0|1,0,0]=3 5085 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 5086 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 5087 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 5088 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [1,1,0,0,0,0|1,0,1]=4 5089 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [1,1,0,0,0,0|1,0,1]=4 5090 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 5091 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 5092 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [1,1,0,0,0,0|2,0,0]=4 5093 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 5094 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 5095 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 5096 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 5097 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [1,1,0,0,0,0|2,0,0]=4 5098 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [1,1,0,0,0,0|2,0,0]=4 5099 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [1,1,0,0,0,0|2,0,0]=4 5100 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [1,1,0,0,0,0|1,0,0]=3 5101 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [1,1,0,0,0,0|2,0,0]=4 5102 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [1,1,0,0,0,0|2,0,0]=4 5103 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [1,1,0,0,0,0|1,0,0]=3 5104 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [1,1,0,0,0,0|2,0,0]=4 5105 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [1,1,0,0,0,0|2,0,0]=4 5106 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [1,1,0,0,0,0|1,0,0]=3 5107 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [1,1,0,0,0,0|1,0,0]=3 5108 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,1,0,0,0,0|2,0,0]=4 5109 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,1,0,0,0,0|2,0,0]=4 5110 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [1,1,0,0,0,0|2,0,0]=4 5111 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 5112 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [1,1,0,0,0,0|2,0,0]=4 5113 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [1,1,0,0,0,0|2,0,0]=4 5114 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 5115 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [1,1,0,0,0,0|2,0,0]=4 5116 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [1,1,0,0,0,0|1,0,0]=3 5117 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [1,1,0,0,0,0|1,0,0]=3 5118 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [1,1,0,0,0,0|1,0,0]=3 5119 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [1,1,0,0,0,0|1,0,0]=3 5120 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [1,1,0,0,0,0|1,0,0]=3 5121 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [1,1,0,0,0,0|1,0,0]=3 5122 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [1,1,0,0,0,0|1,0,0]=3 5123 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [1,1,0,0,0,0|1,0,1]=4 5124 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 5125 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 5126 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 5127 B9R0.24 CNC(=O)CCN(C)CF 269982a_100000750875_100015361967 [1,1,0,0,0,0|2,0,0]=4 5128 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [1,1,0,0,0,0|2,0,0]=4 5129 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [1,1,0,0,0,0|2,0,0]=4 5130 B9R0.24 CNC(=O)COC(C)CF 34a_100016041109_100000183359 [1,1,0,0,0,0|2,0,0]=4 5131 B9R0.24 CNC(=O)COC(C)CF 7a_100016041109_100000183359 [1,1,0,0,0,0|2,0,0]=4 5132 B9R0.24 CNC(=O)COC(C)CN 34a_100000210904_100000183359 [1,1,0,0,0,0|2,0,0]=4 5133 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [1,1,0,0,0,0|2,0,0]=4 5134 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [1,1,0,0,0,0|2,0,0]=4 5135 B9R0.24 CNC(=O)CSC(C)OC 62a_100000183359_100009879195 [1,1,0,0,0,0|2,0,0]=4 5136 B9R0.24 CNC(=O)CSC(C)OC 62a_100009879195_100000183359 [1,1,0,0,0,0|2,0,0]=4 5137 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [1,1,0,0,0,0|2,0,0]=4 5138 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [1,1,0,0,0,0|2,0,0]=4 5139 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [1,1,0,0,0,0|2,0,0]=4 5140 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [1,1,0,0,0,0|2,0,0]=4 5141 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [1,1,0,0,0,0|2,0,0]=4 5142 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [1,1,0,0,0,0|2,0,0]=4 5143 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [1,1,0,0,0,0|2,0,0]=4 5144 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100020591295_106832991635 [1,1,0,0,0,0|2,0,0]=4 5145 B9R0.24 CNC(=O)NC[C@@H](C)OC 2708a_100102657272_100020591295 [1,1,0,0,0,0|2,0,0]=4 5146 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100020591295_100102657272 [1,1,0,0,0,0|2,0,0]=4 5147 B9R0.24 CNC(=O)NC[C@@H](C)OC 273464a_100102657272_100020591295 [1,1,0,0,0,0|2,0,0]=4 5148 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_100020591295_100102657272 [1,1,0,0,0,0|2,0,0]=4 5149 B9R0.24 CNC(=O)NC[C@@H](C)OC 512a_106832991638_100020591295 [1,1,0,0,0,0|2,0,0]=4 5150 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [1,1,0,0,0,0|1,0,1]=4 5151 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [1,1,0,0,0,0|1,0,0]=3 5152 B9R0.24 COC(=O)CNC(C)C#N 2230a_100000737613_100000747449 [1,1,0,0,0,0|1,0,1]=4 5153 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [1,1,0,0,0,0|1,0,0]=3 5154 B9R0.24 COC(=O)COC(C)C#N 34a_100011218135_100000747449 [1,1,0,0,0,0|1,0,1]=4 5155 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [1,1,0,0,0,0|1,0,0]=3 5156 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [1,1,0,0,0,0|1,0,0]=3 5157 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [1,1,0,0,0,0|1,0,0]=3 5158 B9R0.24 COC(=O)CSC(C)C#N 62a_100000703298_100000747449 [1,1,0,0,0,0|1,0,1]=4 5159 B9R0.24 COC(=O)CSC(C)C#N 62a_100000747449_100000703298 [1,1,0,0,0,0|1,0,1]=4 5160 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [1,1,0,0,0,0|1,0,0]=3 5161 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [1,1,0,0,0,0|1,0,0]=3 5162 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [1,1,0,0,0,0|1,0,0]=3 5163 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [1,1,0,0,0,0|1,0,0]=3 5164 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [1,1,0,0,0,0|1,0,0]=3 5165 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [1,1,0,0,0,0|2,0,0]=4 5166 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [1,1,0,0,0,0|2,0,0]=4 5167 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [1,1,0,0,0,0|1,0,1]=4 5168 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [1,1,0,0,0,0|2,0,0]=4 5169 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [1,1,0,0,0,0|2,0,0]=4 5170 B9R0.42 CC(C)N(C)CC(=O)CF 1458a_100000743827_100015361967 [1,1,0,0,0,0|2,0,0]=4 5171 B9R0.42 CC(CC(=O)CF)N(C)C 1458a_100011311895_100015361967 [1,1,0,0,0,0|2,0,0]=4 5172 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [1,1,0,0,0,0|0,0,1]=3 5173 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [1,1,0,0,0,0|0,0,1]=3 5174 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [1,1,0,0,0,0|1,0,1]=4 5175 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [1,1,0,0,0,0|1,0,1]=4 5176 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [1,1,0,0,0,0|1,0,1]=4 5177 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [1,1,0,0,0,0|1,0,1]=4 5178 B9R0.42 CCC(=O)CC(C)N(C)C 1458a_100011311895_100000210202 [1,1,0,0,0,0|1,0,0]=3 5179 B9R0.42 CCC(=O)CN(C)C(C)C 1458a_100000743827_100000210202 [1,1,0,0,0,0|1,0,0]=3 5180 B9R0.42 CCC(=O)CN(C)C(C)C 269982a_200000211004_100000747405 [1,1,0,0,0,0|1,0,0]=3 5181 B9R0.42 CCC(=O)NC(C)C(C)C 11a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 5182 B9R0.42 CCC(=O)NC(C)C(C)C 1626a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 5183 B9R0.42 CCC(=O)NC(C)C(C)C 240690a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 5184 B9R0.42 CCC(=O)NC(C)C(C)C 527a_100000211541_100000210414 [1,1,0,0,0,0|1,0,0]=3 5185 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [1,1,0,0,0,0|1,0,1]=4 5186 B9R0.42 CNC(=O)CC(C)N(C)C 1626a_100102657272_100011311895 [1,1,0,0,0,0|2,0,0]=4 5187 B9R0.42 CNC(=O)CC(C)N(C)C 2230a_100015186911_200000210301 [1,1,0,0,0,0|2,0,0]=4 5188 B9R0.42 CNC(=O)CC(C)N(C)C 240690a_100102657272_100011311895 [1,1,0,0,0,0|2,0,0]=4 5189 B9R0.42 CNC(=O)CC(C)N(C)C 269982a_100015186911_200000210301 [1,1,0,0,0,0|2,0,0]=4 5190 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 2230a_100015186911_200025704644 [1,1,0,0,0,0|2,0,0]=4 5191 B9R0.42 CNC(=O)CC(C)N(C)[13CH3] 269982a_100015186911_200025704644 [1,1,0,0,0,0|2,0,0]=4 5192 B9R0.42 CNC(=O)CN(C)C(C)C 11a_106832991635_100000743827 [1,1,0,0,0,0|2,0,0]=4 5193 B9R0.42 CNC(=O)CN(C)C(C)C 1626a_100102657272_100000743827 [1,1,0,0,0,0|2,0,0]=4 5194 B9R0.42 CNC(=O)CN(C)C(C)C 2230a_100000189611_100000210206 [1,1,0,0,0,0|2,0,0]=4 5195 B9R0.42 CNC(=O)CN(C)C(C)C 240690a_100102657272_100000743827 [1,1,0,0,0,0|2,0,0]=4 5196 B9R0.42 CNC(=O)CN(C)C(C)C 269982a_200000211004_100000183359 [1,1,0,0,0,0|2,0,0]=4 5197 B9R0.42 CNC(=O)CN(C)C(C)C 527a_100102657272_100000743827 [1,1,0,0,0,0|2,0,0]=4 5198 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100000211541_106832991635 [1,1,0,0,0,0|2,0,0]=4 5199 B9R0.42 CNC(=O)NC(C)C(C)C 2708a_100102657272_100000211541 [1,1,0,0,0,0|2,0,0]=4 5200 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100000211541_100102657272 [1,1,0,0,0,0|2,0,0]=4 5201 B9R0.42 CNC(=O)NC(C)C(C)C 273464a_100102657272_100000211541 [1,1,0,0,0,0|2,0,0]=4 5202 B9R0.42 CNC(=O)NC(C)C(C)C 512a_100000211541_100102657272 [1,1,0,0,0,0|2,0,0]=4 5203 B9R0.42 CNC(=O)NC(C)C(C)C 512a_106832991638_100000211541 [1,1,0,0,0,0|2,0,0]=4 5204 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [1,1,0,0,0,0|0,0,1]=3 5205 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [1,1,0,0,0,0|0,0,1]=3 5206 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [1,1,0,0,0,0|1,0,1]=4 5207 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [1,1,0,0,0,0|1,0,1]=4 5208 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [1,1,0,0,0,0|1,0,1]=4 5209 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [1,1,0,0,0,0|1,0,1]=4 5210 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [1,1,0,0,0,0|1,0,1]=4 5211 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [1,1,0,0,0,0|1,0,1]=4 5212 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [1,1,0,0,0,0|1,0,0]=3 5213 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [1,1,0,0,0,0|1,0,0]=3 5214 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [1,1,0,0,0,0|1,0,0]=3 5215 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [1,1,0,0,0,0|1,0,0]=3 5216 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [1,1,0,0,0,0|0,0,2]=4 5217 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [1,1,0,0,0,0|0,0,2]=4 5218 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [1,1,0,0,0,0|0,0,2]=4 5219 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [1,1,0,0,0,0|0,0,2]=4 5220 B9R0.43 CCN(CC)CCC(C)C 2230a_100000207693_100000210202 [1,1,0,0,0,0|2,0,0]=4 5221 B9R0.43 CCN(CC)CCC(C)C 2230a_100000724800_100000210312 [1,1,0,0,0,0|2,0,0]=4 5222 B9R0.43 CCN(CC)CCC(C)C 269956a_100000042499_100000210312 [1,1,0,0,0,0|2,0,0]=4 5223 B9R0.43 CCN(CC)CCC(C)C 269982a_100000207693_100000204670 [1,1,0,0,0,0|2,0,0]=4 5224 B9R0.43 CCN(CC)CCC(C)C 269982a_100000724800_100000210312 [1,1,0,0,0,0|2,0,0]=4 5225 B9R0.43 CCN(CF)CCC(C)C 269982a_100000207693_100015361967 [1,1,0,0,0,0|2,0,0]=4 5226 B9R0.64 CC(C)CCC(C)(C)O[13CH3] 7a_200011218267_200025704644 [1,1,0,0,0,0|1,0,1]=4 5227 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100000694288_200000210301 [1,1,0,0,0,0|2,0,0]=4 5228 B9R0.64 CCS(=O)(=O)CCN(C)C 2230a_100102631434_100000756660 [1,1,0,0,0,0|2,0,0]=4 5229 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100000694288_200000210301 [1,1,0,0,0,0|2,0,0]=4 5230 B9R0.64 CCS(=O)(=O)CCN(C)C 269982a_100102631434_100000756660 [1,1,0,0,0,0|2,0,0]=4 5231 B9R0.64 CCS(=O)(=O)CCN(C)C 34a_100000694288_200000210301 [1,1,0,0,0,0|2,0,0]=4 5232 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 2230a_100000694288_200025704644 [1,1,0,0,0,0|2,0,0]=4 5233 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 269982a_100000694288_200025704644 [1,1,0,0,0,0|2,0,0]=4 5234 B9R0.64 CCS(=O)(=O)CCN(C)[13CH3] 34a_100000694288_200025704644 [1,1,0,0,0,0|2,0,0]=4 5235 B9R0.64 CCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211323 [1,1,0,0,0,0|2,0,0]=4 5236 B9R0.64 CCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211323 [1,1,0,0,0,0|2,0,0]=4 5237 B9R0.64 CCS(=O)(=O)NCC(C)C 40a_100000210953_100000053943 [1,1,0,0,0,0|2,0,0]=4 5238 B9R0.64 CNS(=O)(=O)CCC(C)C 270084a_100102657272_100000750698 [1,1,0,0,0,0|2,0,0]=4 5239 B9R0.64 CNS(=O)(=O)CCC(C)C 274078a_100102657272_100000750698 [1,1,0,0,0,0|2,0,0]=4 5240 B9R0.64 COC(C)(C)CCC(C)C 34a_100138415774_200000037585 [1,1,0,0,0,0|1,0,1]=4 5241 B9R0.64 COC(C)(C)CCC(C)C 7a_200011218267_200000210301 [1,1,0,0,0,0|1,0,1]=4 5242 B9R0.6 CC(C)C(C)C(=O)CCF 1458a_100000755409_100011217306 [0,1,0,0,1,0|2,0,0]=4 5243 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,1,0,0,1,0|2,0,0]=4 5244 B9R0.6 CC(C)[C@@H](O)C(=O)CCF 1458a_100000691806_100011217306 [0,1,0,0,1,0|2,0,0]=4 5245 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,1,0,0,1,0|2,0,0]=4 5246 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,1,0|1,0,0]=3 5247 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,1,0,0,1,0|2,0,0]=4 5248 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,1,0,0,1,0|2,0,0]=4 5249 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,1,0,0,1,0|2,0,0]=4 5250 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,1,0,0,1,0|2,0,0]=4 5251 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,1,0,0,1,0|2,0,0]=4 5252 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,1,0|1,0,0]=3 5253 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,0,0,1,0|1,0,1]=4 5254 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,0,0,1,0|1,0,0]=3 5255 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,0,0,1,0|1,0,0]=3 5256 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,0,0,1,0|1,0,0]=3 5257 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,1,0,0,1,0|2,0,0]=4 5258 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,1,0,0,1,0|2,0,0]=4 5259 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [0,1,0,0,1,0|2,0,0]=4 5260 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [0,1,0,0,1,0|2,0,0]=4 5261 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,1,0,0,1,0|2,0,0]=4 5262 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,1,0,0,1,0|2,0,0]=4 5263 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,1,0,0,1,0|1,0,0]=3 5264 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,1,0|1,0,1]=4 5265 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,1,0|1,0,1]=4 5266 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,1,0|1,0,1]=4 5267 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,1,0|1,0,1]=4 5268 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,1,0|1,0,1]=4 5269 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,1,0|1,0,1]=4 5270 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,1,0|1,0,0]=3 5271 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,1,0|1,0,0]=3 5272 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,1,0|1,0,1]=4 5273 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,1,0|1,0,0]=3 5274 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,1,0|1,0,0]=3 5275 B9R0.6 CNNC(=O)C(C)C(C)C 22a_100016993582_100000755409 [0,1,0,0,1,0|2,0,0]=4 5276 B9R0.6 CNNC(=O)[C@H](O)C(C)C 22a_100016993582_100000691806 [0,1,0,0,1,0|2,0,0]=4 5277 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [0,1,0,0,1,0|1,0,1]=4 5278 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [0,1,0,0,1,0|1,0,1]=4 5279 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [0,1,0,0,1,0|1,0,1]=4 5280 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [0,1,0,0,1,0|1,0,1]=4 5281 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [0,1,0,0,1,0|1,0,1]=4 5282 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [0,1,0,0,1,0|1,0,1]=4 5283 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [0,1,0,0,1,0|2,0,0]=4 5284 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [0,1,0,0,1,0|2,0,0]=4 5285 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [0,1,0,0,1,0|2,0,0]=4 5286 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [0,1,0,0,1,0|2,0,0]=4 5287 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,1,0,0,1,0|1,0,0]=3 5288 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,1,0,0,1,0|1,0,0]=3 5289 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,1,0,0,1,0|2,0,0]=4 5290 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,1,0,0,1,0|1,1,0]=4 5291 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,1,0,0,1,0|1,1,0]=4 5292 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,1,0,0,1,0|2,0,0]=4 5293 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,1,0,0,1,0|2,0,0]=4 5294 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,1,0,0,1,0|2,0,0]=4 5295 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,1,0,0,1,0|2,0,0]=4 5296 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,1,0,0,1,0|1,0,0]=3 5297 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,1,0,0,1,0|1,0,0]=3 5298 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,1,0,0,1,0|1,0,0]=3 5299 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,1,0,0,1,0|1,0,0]=3 5300 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,1,0,0,1,0|2,0,0]=4 5301 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,1,0,0,1,0|2,0,0]=4 5302 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,1,0,0,1,0|2,0,0]=4 5303 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,1,0,0,1,0|1,1,0]=4 5304 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [0,1,0,0,1,0|2,0,0]=4 5305 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [0,1,0,0,1,0|2,0,0]=4 5306 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [0,1,0,0,1,0|2,0,0]=4 5307 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [0,1,0,0,1,0|2,0,0]=4 5308 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,1,0,0,1,0|1,0,1]=4 5309 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [0,1,0,0,1,0|2,0,0]=4 5310 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [0,1,0,0,1,0|2,0,0]=4 5311 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,1,0|1,0,1]=4 5312 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,1,0|1,0,1]=4 5313 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,1,0|1,0,1]=4 5314 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,1,0|1,0,1]=4 5315 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,1,0|1,0,1]=4 5316 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,1,0,0,1,0|1,0,0]=3 5317 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,1,0|1,0,0]=3 5318 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,1,0,0,1,0|2,0,0]=4 5319 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,1,0,0,1,0|2,0,0]=4 5320 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,1,0|1,0,0]=3 5321 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,1,0,0,1,0|2,0,0]=4 5322 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,1,0,0,1,0|1,0,0]=3 5323 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,1,0,0,1,0|1,0,0]=3 5324 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,1,0,0,1,0|1,0,0]=3 5325 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,1,0,0,1,0|1,0,0]=3 5326 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,0,0,1,0|1,0,1]=4 5327 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,0,0,1,0|1,0,1]=4 5328 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,0,0,1,0|1,0,1]=4 5329 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,1,0,0,1,0|2,0,0]=4 5330 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,1,0,0,1,0|2,0,0]=4 5331 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,1,0,0,1,0|2,0,0]=4 5332 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,1,0,0,1,0|2,0,0]=4 5333 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,1,0,0,1,0|2,0,0]=4 5334 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,1,0,0,1,0|2,0,0]=4 5335 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,1,0,0,1,0|2,0,0]=4 5336 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,1,0,0,1,0|2,0,0]=4 5337 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,1,0,0,1,0|2,0,0]=4 5338 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,1,0,0,1,0|2,0,0]=4 5339 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,1,0,0,1,0|2,0,0]=4 5340 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,1,0,0,1,0|2,0,0]=4 5341 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,1,0,0,1,0|2,0,0]=4 5342 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,1,0,0,1,0|2,0,0]=4 5343 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,1,0,0,1,0|2,0,0]=4 5344 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,1,0,0,1,0|2,0,0]=4 5345 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,1,0,0,1,0|1,0,0]=3 5346 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,1,0,0,1,0|1,0,0]=3 5347 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,1,0,0,1,0|2,0,0]=4 5348 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,1,0,0,1,0|2,0,0]=4 5349 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,1,0,0,1,0|2,0,0]=4 5350 B9R0.58 CCNS(=O)(=O)CC(C)C 270084a_100015525214_100000748289 [0,1,0,0,1,0|2,0,0]=4 5351 B9R0.58 CCNS(=O)(=O)CC(C)C 274078a_100015525214_100000748289 [0,1,0,0,1,0|2,0,0]=4 5352 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,1,0,0,0,1|0,0,2]=4 5353 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000220588_100000748629 [0,1,0,0,0,1|0,0,2]=4 5354 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000225649_100000188475 [0,1,0,0,0,1|0,0,2]=4 5355 B11R0.1 C=C(C)CN(C)CC(=O)OCC 269982a_100000225649_100000188475 [0,1,0,0,0,1|0,0,2]=4 5356 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,1|2,0,0]=4 5357 B11R0.1 C=COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000036128 [0,1,0,0,0,1|0,0,2]=4 5358 B11R0.1 C=COC(=O)CN(C)CC(C)C 2230a_100000747067_100000036128 [0,1,0,0,0,1|0,0,2]=4 5359 B11R0.1 C=COC(=O)CN(C)CC(C)C 269982a_100000747067_100000036128 [0,1,0,0,0,1|0,0,2]=4 5360 B11R0.1 CC(C)CC(=O)CC(=O)NCO 1458a_100000210554_100000185155 [0,1,0,0,0,1|2,0,0]=4 5361 B11R0.1 CC(C)CC(C)NC(=O)CCO 240690a_100000692259_100011216618 [0,1,0,0,0,1|2,0,0]=4 5362 B11R0.1 CC(C)CN(C)CC(=O)NCO 2230a_100000747067_100000185155 [0,1,0,0,0,1|2,0,0]=4 5363 B11R0.1 CC(C)CN(C)CC(=O)NCO 269982a_100000747067_100000185155 [0,1,0,0,0,1|2,0,0]=4 5364 B11R0.1 CC=CC(=O)NC(C)CC(C)C 11a_100000692259_100000210699 [0,1,0,0,0,1|1,0,1]=4 5365 B11R0.1 CC=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210699 [0,1,0,0,0,1|1,0,1]=4 5366 B11R0.1 CC=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210699 [0,1,0,0,0,1|1,0,1]=4 5367 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,1|1,0,0]=3 5368 B11R0.1 CCCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747444 [0,1,0,0,0,1|2,0,0]=4 5369 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,1|2,0,0]=4 5370 B11R0.1 CCCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747444 [0,1,0,0,0,1|2,0,0]=4 5371 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,0,1|1,0,1]=4 5372 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,0,1|1,0,1]=4 5373 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,1,0,0,0,1|1,0,0]=3 5374 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,1,0,0,0,1|1,0,0]=3 5375 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,1,0,0,0,1|2,0,0]=4 5376 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,1,0,0,0,1|2,0,0]=4 5377 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 5378 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 5379 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 5380 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,1,0,0,0,1|1,0,0]=3 5381 B11R0.1 CCCC(=O)NC(C)CN(C)C 11a_100016992788_100000211992 [0,1,0,0,0,1|2,0,0]=4 5382 B11R0.1 CCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000211992 [0,1,0,0,0,1|2,0,0]=4 5383 B11R0.1 CCCC(=O)NC(C)CN(C)C 527a_100016992788_100000211992 [0,1,0,0,0,1|2,0,0]=4 5384 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,1|2,0,0]=4 5385 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,0,1|1,0,0]=3 5386 B11R0.1 CCNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183381 [0,1,0,0,0,1|2,0,0]=4 5387 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,1,0,0,0,1|2,0,0]=4 5388 B11R0.1 CCNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183381 [0,1,0,0,0,1|2,0,0]=4 5389 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000741943_100000210760 [0,1,0,0,0,1|1,0,0]=3 5390 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183381 [0,1,0,0,0,1|1,0,0]=3 5391 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000741943_100000210624 [0,1,0,0,0,1|1,0,0]=3 5392 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183381 [0,1,0,0,0,1|1,0,0]=3 5393 B11R0.1 CCNC(=O)CN(C)CC(C)C 270004a_100000741943_100000210432 [0,1,0,0,0,1|1,0,0]=3 5394 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183381 [0,1,0,0,0,1|2,0,0]=4 5395 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000741943_100011218427 [0,1,0,0,0,1|2,0,0]=4 5396 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183381 [0,1,0,0,0,1|2,0,0]=4 5397 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000741943_100011218427 [0,1,0,0,0,1|2,0,0]=4 5398 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 2230a_100000741943_100009817552 [0,1,0,0,0,1|2,0,0]=4 5399 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 269982a_100000741943_100009817552 [0,1,0,0,0,1|2,0,0]=4 5400 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,1,0,0,0,1|1,0,0]=3 5401 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,1,0,0,0,1|1,0,0]=3 5402 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,1,0,0,0,1|1,0,0]=3 5403 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,1,0,0,0,1|1,0,0]=3 5404 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,1,0,0,0,1|1,0,0]=3 5405 B11R0.1 CCNC(=O)NC(C)CN(C)C 2708a_100015525214_100016992788 [0,1,0,0,0,1|2,0,0]=4 5406 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100015525214_100016992788 [0,1,0,0,0,1|2,0,0]=4 5407 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100016992788_100015525214 [0,1,0,0,0,1|2,0,0]=4 5408 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100015525214_100016992788 [0,1,0,0,0,1|2,0,0]=4 5409 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100016992788_100015525214 [0,1,0,0,0,1|2,0,0]=4 5410 B11R0.1 CCOC(=O)C=C(C)CN(C)C 2230a_100102631434_100135422193 [0,1,0,0,0,1|1,0,1]=4 5411 B11R0.1 CCOC(=O)C=C(C)CN(C)C 269982a_100102631434_100135422193 [0,1,0,0,0,1|1,0,1]=4 5412 B11R0.1 CCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000188475 [0,1,0,0,0,1|0,0,2]=4 5413 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,1|0,0,0]=2 5414 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,1|0,0,0]=2 5415 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,1,0,0,0,1|1,0,0]=3 5416 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,1,0,0,0,1|2,0,0]=4 5417 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,1,0,0,0,1|1,0,0]=3 5418 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,1,0,0,0,1|1,0,0]=3 5419 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,1,0,0,0,1|1,0,0]=3 5420 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,1,0,0,0,1|1,0,0]=3 5421 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,1,0,0,0,1|0,0,1]=3 5422 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,1,0,0,0,1|1,0,1]=4 5423 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,1,0,0,0,1|0,0,0]=2 5424 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,1,0,0,0,1|0,0,0]=2 5425 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,1,0,0,0,1|0,0,0]=2 5426 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,1,0,0,0,1|0,0,0]=2 5427 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,1,0,0,0,1|0,0,0]=2 5428 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,1,0,0,0,1|0,0,0]=2 5429 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,1,0,0,0,1|0,0,0]=2 5430 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,1,0,0,0,1|1,0,0]=3 5431 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,1,0,0,0,1|1,0,0]=3 5432 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,1,0,0,0,1|1,0,0]=3 5433 B11R0.1 CCOC(=O)CN(C)CC(F)F 2230a_100000220588_100011934356 [0,1,0,0,0,1|2,0,0]=4 5434 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,1,0,0,0,1|1,0,0]=3 5435 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,1,0,0,0,1|0,0,0]=2 5436 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,1,0,0,0,1|1,0,0]=3 5437 B11R0.1 CCOC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010344 [0,1,0,0,0,1|1,0,1]=4 5438 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [0,1,0,0,0,1|1,0,0]=3 5439 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [0,1,0,0,0,1|1,0,0]=3 5440 B11R0.1 CNNC(=O)NC(C)CC(C)C 273464a_100000692259_100016993582 [0,1,0,0,0,1|2,0,0]=4 5441 B11R0.1 CNNC(=O)NC(C)CC(C)C 512a_100000692259_100016993582 [0,1,0,0,0,1|2,0,0]=4 5442 B11R0.1 CNNC(=O)NC(C)CC(C)C 512a_100016993582_100000692259 [0,1,0,0,0,1|2,0,0]=4 5443 B11R0.1 COCC(=O)NC(C)CC(C)C 11a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 5444 B11R0.1 COCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 5445 B11R0.1 COCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 5446 B11R0.1 COCC(=O)NC(C)CC(C)C 527a_100000692259_100000210968 [0,1,0,0,0,1|2,0,0]=4 5447 B11R0.1 CSCC(=O)NC(C)CC(C)C 11a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 5448 B11R0.1 CSCC(=O)NC(C)CC(C)C 1626a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 5449 B11R0.1 CSCC(=O)NC(C)CC(C)C 240690a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 5450 B11R0.1 CSCC(=O)NC(C)CC(C)C 527a_100000692259_100000184570 [0,1,0,0,0,1|2,0,0]=4 5451 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,1,0,0,0,1|1,0,1]=4 5452 B11R0.6 C=C(C)CC(=O)COCC(C)C 1458a_100011223364_100000748629 [0,1,0,0,0,1|1,0,1]=4 5453 B11R0.6 C=C(C)COCC(=O)OC(C)C 34a_100000210245_100011215430 [0,1,0,0,0,1|0,0,2]=4 5454 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100000748629_100011215430 [0,1,0,0,0,1|0,0,2]=4 5455 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100011215430_100000211660 [0,1,0,0,0,1|0,0,2]=4 5456 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,1,0,0,0,1|1,0,1]=4 5457 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,1,0,0,0,1|1,0,1]=4 5458 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,1,0,0,0,1|1,0,1]=4 5459 B11R0.6 CC(=CC(=O)CCOC(C)C)C 1458a_100000211388_100000211751 [0,1,0,0,0,1|1,0,1]=4 5460 B11R0.6 CC(=CC(=O)CCOC(C)C)Cl 1458a_200042562850_100000211751 [0,1,0,0,0,1|1,0,1]=4 5461 B11R0.6 CC(=CC(=O)CCOC(C)C)I 1458a_100025716642_100000211751 [0,1,0,0,0,1|1,0,1]=4 5462 B11R0.6 CC(=CC(=O)CCSC(C)C)C 1458a_100000211388_100000730970 [0,1,0,0,0,1|1,0,1]=4 5463 B11R0.6 CC(=CC(=O)CCSC(C)C)Cl 1458a_200042562850_100000730970 [0,1,0,0,0,1|1,0,1]=4 5464 B11R0.6 CC(=CC(=O)CCSC(C)C)I 1458a_100025716642_100000730970 [0,1,0,0,0,1|1,0,1]=4 5465 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,1,0,0,0,1|1,0,1]=4 5466 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,1,0,0,0,1|1,0,1]=4 5467 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,1,0,0,0,1|1,0,1]=4 5468 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 11a_100000210545_200042562850 [0,1,0,0,0,1|1,0,1]=4 5469 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 1626a_100000210545_200042562850 [0,1,0,0,0,1|1,0,1]=4 5470 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 240690a_100000210545_200042562850 [0,1,0,0,0,1|1,0,1]=4 5471 B11R0.6 CC(=CC(=O)NCCC(C)C)I 11a_100000210545_100025716642 [0,1,0,0,0,1|1,0,1]=4 5472 B11R0.6 CC(=CC(=O)NCCC(C)C)I 1626a_100000210545_100025716642 [0,1,0,0,0,1|1,0,1]=4 5473 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,1,0,0,0,1|1,0,1]=4 5474 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,1,0,0,0,1|1,0,1]=4 5475 B11R0.6 CC(=O)COCC(=O)OC(C)C 34a_100000211253_100011215430 [0,1,0,0,0,1|1,0,1]=4 5476 B11R0.6 CC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000183797 [0,1,0,0,0,1|1,0,1]=4 5477 B11R0.6 CC(Br)COCC(=O)NC(C)C 34a_100012180447_100000183996 [0,1,0,0,0,1|2,0,0]=4 5478 B11R0.6 CC(Br)COCC(=O)OC(C)C 34a_100012180447_100011215430 [0,1,0,0,0,1|1,0,0]=3 5479 B11R0.6 CC(C)/C=C/CC(=O)CC(C)C 1458a_100016292215_100000210624 [0,1,0,0,0,1|1,0,1]=4 5480 B11R0.6 CC(C)/C=C/CC(=O)CC(C)O 1458a_100016292215_100011218427 [0,1,0,0,0,1|1,0,1]=4 5481 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 11a_100138425928_100016292215 [0,1,0,0,0,1|1,0,1]=4 5482 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 1626a_100138425928_100016292215 [0,1,0,0,0,1|1,0,1]=4 5483 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 240690a_100138425928_100016292215 [0,1,0,0,0,1|1,0,1]=4 5484 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,1,0,0,0,1|2,0,0]=4 5485 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,1,0,0,0,1|2,0,0]=4 5486 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,1,0,0,0,1|1,0,0]=3 5487 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,1,0,0,0,1|1,0,0]=3 5488 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,1,0,0,0,1|2,0,0]=4 5489 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,1,0,0,0,1|2,0,0]=4 5490 B11R0.6 CC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000210554 [0,1,0,0,0,1|2,0,0]=4 5491 B11R0.6 CC(C)CC(=O)NCCN(C)C 527a_100000210585_100000210554 [0,1,0,0,0,1|2,0,0]=4 5492 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,1,0,0,0,1|1,0,0]=3 5493 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,1,0,0,0,1|1,0,0]=3 5494 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,1,0,0,0,1|1,0,0]=3 5495 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,1,0,0,0,1|2,0,0]=4 5496 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,1,0,0,0,1|2,0,0]=4 5497 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,1,0,0,0,1|1,0,0]=3 5498 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,1,0,0,0,1|2,0,0]=4 5499 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,1,0,0,0,1|1,0,0]=3 5500 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,1,0,0,0,1|1,0,0]=3 5501 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,1,0,0,0,1|1,0,0]=3 5502 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,1,0,0,0,1|1,0,0]=3 5503 B11R0.6 CC(C)CCCC(C)OC(C)C 34a_200011218570_100000210206 [0,1,0,0,0,1|1,0,1]=4 5504 B11R0.6 CC(C)CCCC(C)OC(C)C 7a_200011218570_100000210206 [0,1,0,0,0,1|1,0,1]=4 5505 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,1,0,0,0,1|1,0,0]=3 5506 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,1,0,0,0,1|1,0,0]=3 5507 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,1,0,0,0,1|1,0,0]=3 5508 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,1,0,0,0,1|1,0,0]=3 5509 B11R0.6 CC(C)CCNC(=O)CN(C)C 11a_100000210545_100000750896 [0,1,0,0,0,1|2,0,0]=4 5510 B11R0.6 CC(C)CCNC(=O)CN(C)C 240690a_100000210545_100000750896 [0,1,0,0,0,1|2,0,0]=4 5511 B11R0.6 CC(C)CCNC(=O)CN(C)C 527a_100000210545_100000750896 [0,1,0,0,0,1|2,0,0]=4 5512 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,1,0,0,0,1|1,0,0]=3 5513 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 11a_100000210545_200159257847 [0,1,0,0,0,1|2,0,0]=4 5514 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 1626a_100000210545_200159257847 [0,1,0,0,0,1|2,0,0]=4 5515 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 240690a_100000210545_200159257847 [0,1,0,0,0,1|2,0,0]=4 5516 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 527a_100000210545_200159257847 [0,1,0,0,0,1|2,0,0]=4 5517 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,1,0,0,0,1|1,0,0]=3 5518 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,1,0,0,0,1|1,0,0]=3 5519 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,1,0,0,0,1|1,0,0]=3 5520 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,1,0,0,0,1|1,0,0]=3 5521 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,1,0,0,0,1|1,0,0]=3 5522 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000210760 [0,1,0,0,0,1|1,0,0]=3 5523 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000210953_100000183996 [0,1,0,0,0,1|1,0,0]=3 5524 B11R0.6 CC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000210432 [0,1,0,0,0,1|1,0,0]=3 5525 B11R0.6 CC(C)CNCC(=O)NC(C)C 34a_100000210953_100000183996 [0,1,0,0,0,1|1,0,0]=3 5526 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,1,0,0,0,1|0,0,0]=2 5527 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,1,0,0,0,1|0,0,0]=2 5528 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,1,0,0,0,1|2,0,0]=4 5529 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,1,0,0,0,1|2,0,0]=4 5530 B11R0.6 CC(C)CNNC(=O)NC(C)C 273464a_100138425928_100000696102 [0,1,0,0,0,1|2,0,0]=4 5531 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100000696102_100138425928 [0,1,0,0,0,1|2,0,0]=4 5532 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100138425928_100000696102 [0,1,0,0,0,1|2,0,0]=4 5533 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,1,0,0,0,1|1,0,0]=3 5534 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,1,0,0,0,1|1,0,0]=3 5535 B11R0.6 CC(C)COCC(=O)CC(F)F 1458a_100011223364_100011934356 [0,1,0,0,0,1|2,0,0]=4 5536 B11R0.6 CC(C)COCC(=O)NC(C)C 11a_100138425928_100011223364 [0,1,0,0,0,1|1,0,0]=3 5537 B11R0.6 CC(C)COCC(=O)NC(C)C 1626a_100138425928_100011223364 [0,1,0,0,0,1|1,0,0]=3 5538 B11R0.6 CC(C)COCC(=O)NC(C)C 240690a_100138425928_100011223364 [0,1,0,0,0,1|1,0,0]=3 5539 B11R0.6 CC(C)COCC(=O)NC(C)C 34a_100000210257_100000183996 [0,1,0,0,0,1|1,0,0]=3 5540 B11R0.6 CC(C)COCC(=O)NC(C)C 527a_100138425928_100011223364 [0,1,0,0,0,1|1,0,0]=3 5541 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,1,0,0,0,1|0,0,0]=2 5542 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000183996_100000210760 [0,1,0,0,0,1|1,0,0]=3 5543 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000210624_100000183996 [0,1,0,0,0,1|1,0,0]=3 5544 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,1,0,0,0,1|0,0,0]=2 5545 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,1,0,0,0,1|0,0,0]=2 5546 B11R0.6 CC(C)NC(=O)CCCN(C)C 11a_100138425928_100000740757 [0,1,0,0,0,1|2,0,0]=4 5547 B11R0.6 CC(C)NC(=O)CCCN(C)C 240690a_100138425928_100000740757 [0,1,0,0,0,1|2,0,0]=4 5548 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000210206_100000737564 [0,1,0,0,0,1|1,0,0]=3 5549 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000737564_100000210206 [0,1,0,0,0,1|1,0,0]=3 5550 B11R0.6 CC(C)NC(=O)CNC[C@@H](C)O 2230a_100000168517_100009817552 [0,1,0,0,0,1|2,0,0]=4 5551 B11R0.6 CC(C)NC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183996 [0,1,0,0,0,1|2,0,0]=4 5552 B11R0.6 CC(C)NC(=O)COC[C@@H](C)N 34a_100000737577_100000183996 [0,1,0,0,0,1|2,0,0]=4 5553 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100000183996_100009817552 [0,1,0,0,0,1|2,0,0]=4 5554 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000183996 [0,1,0,0,0,1|2,0,0]=4 5555 B11R0.6 CC(C)NC(=O)NCCN(C)C 2708a_100138425928_100000210585 [0,1,0,0,0,1|2,0,0]=4 5556 B11R0.6 CC(C)NC(=O)NCCN(C)C 273464a_100138425928_100000210585 [0,1,0,0,0,1|2,0,0]=4 5557 B11R0.6 CC(C)NC(=O)NCCN(C)C 512a_100138425928_100000210585 [0,1,0,0,0,1|2,0,0]=4 5558 B11R0.6 CC(C)NCCC(=O)NC(C)C 2230a_100138425928_100000737564 [0,1,0,0,0,1|1,0,0]=3 5559 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,1,0,0,0,1|0,0,0]=2 5560 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,1,0,0,0,1|0,0,0]=2 5561 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,1,0,0,0,1|0,0,0]=2 5562 B11R0.6 CC(C)OC(=O)CNCC(F)F 34a_100000765723_100011215430 [0,1,0,0,0,1|2,0,0]=4 5563 B11R0.6 CC(C)OC(=O)COCC(F)F 34a_100000743014_100011215430 [0,1,0,0,0,1|2,0,0]=4 5564 B11R0.6 CC(C)OC(=O)COC[C@@H](C)Cl 34a_100016084084_100011215430 [0,1,0,0,0,1|1,0,0]=3 5565 B11R0.6 CC(C)OC(=O)COC[C@@H](C)N 34a_100000737577_100011215430 [0,1,0,0,0,1|1,0,0]=3 5566 B11R0.6 CC(C)OC(=O)CSCC(F)F 62a_100011215430_100011934356 [0,1,0,0,0,1|2,0,0]=4 5567 B11R0.6 CC(C)OC(=O)CSCC(F)F 62a_100011934356_100011215430 [0,1,0,0,0,1|2,0,0]=4 5568 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100009817552_100011215430 [0,1,0,0,0,1|1,0,0]=3 5569 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100011215430_100009817552 [0,1,0,0,0,1|1,0,0]=3 5570 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,1,0,0,0,1|1,0,0]=3 5571 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,1,0,0,0,1|1,0,0]=3 5572 B11R0.6 CC(C)OCCC(=O)CN(C)C 1458a_100000750896_100000211751 [0,1,0,0,0,1|2,0,0]=4 5573 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,1,0,0,0,1|1,0,0]=3 5574 B11R0.6 CC(C)OCCC(=O)C[S+](C)C 1458a_200159257847_100000211751 [0,1,0,0,0,1|2,0,0]=4 5575 B11R0.6 CC(C)SCCC(=O)CN(C)C 1458a_100000750896_100000730970 [0,1,0,0,0,1|2,0,0]=4 5576 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,1,0,0,0,1|1,0,0]=3 5577 B11R0.6 CC(C)SCCC(=O)C[S+](C)C 1458a_200159257847_100000730970 [0,1,0,0,0,1|2,0,0]=4 5578 B11R0.6 CC(F)COCC(=O)NC(C)C 34a_100015925927_100000183996 [0,1,0,0,0,1|2,0,0]=4 5579 B11R0.6 CC(F)COCC(=O)OC(C)C 34a_100015925927_100011215430 [0,1,0,0,0,1|1,0,0]=3 5580 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,1,0,0,0,1|2,0,0]=4 5581 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,1,0,0,0,1|2,0,0]=4 5582 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,1,0,0,0,1|2,0,0]=4 5583 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,1,0,0,0,1|2,0,0]=4 5584 B11R0.6 CC(O)CCNC(=O)NC(C)C 2708a_100138425928_200000755665 [0,1,0,0,0,1|2,0,0]=4 5585 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_100138425928_200000755665 [0,1,0,0,0,1|2,0,0]=4 5586 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_200000755665_100138425928 [0,1,0,0,0,1|2,0,0]=4 5587 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000168517_100011218427 [0,1,0,0,0,1|2,0,0]=4 5588 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000210904_100000183996 [0,1,0,0,0,1|2,0,0]=4 5589 B11R0.6 CC(O)CNCC(=O)NC(C)C 34a_100000210904_100000183996 [0,1,0,0,0,1|2,0,0]=4 5590 B11R0.6 CC(O)CNCC(=O)OC(C)C 2230a_100000210904_100011215430 [0,1,0,0,0,1|1,0,0]=3 5591 B11R0.6 CC(O)CNCC(=O)OC(C)C 34a_100000210904_100011215430 [0,1,0,0,0,1|1,0,0]=3 5592 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100000183996_100011218427 [0,1,0,0,0,1|2,0,0]=4 5593 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100011218427_100000183996 [0,1,0,0,0,1|2,0,0]=4 5594 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218427 [0,1,0,0,0,1|1,0,0]=3 5595 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011218427_100011215430 [0,1,0,0,0,1|1,0,0]=3 5596 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,1,0,0,0,1|2,0,0]=4 5597 B11R0.6 C[C@@H](O)CC(=O)NCCN(C)C 240690a_100000210585_100011933948 [0,1,0,0,0,1|2,0,0]=4 5598 B11R0.45 CCOC(CC)CNCC(C)C 2230a_100015183923_100000210760 [0,1,0,0,0,1|1,0,1]=4 5599 B11R0.45 CCOC(CC)CNCC(C)C 270004a_100015183923_100000210432 [0,1,0,0,0,1|1,0,1]=4 5600 B11R0.45 CCOC(CC)CNCC(C)C 34a_100015183923_100000210624 [0,1,0,0,0,1|1,0,1]=4 5601 B11R0.59 C=C(C)COC(C)C(=O)OCC 34a_100000210245_100011216346 [0,1,0,0,0,1|0,0,2]=4 5602 B11R0.59 C=C(C)COC(F)C(=O)OCC 34a_100000210245_100000760018 [0,1,0,0,0,1|0,0,2]=4 5603 B11R0.59 C=C(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000748629 [0,1,0,0,0,1|0,0,2]=4 5604 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100000748629_100011216346 [0,1,0,0,0,1|0,0,2]=4 5605 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100011216346_100000211660 [0,1,0,0,0,1|0,0,2]=4 5606 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000748629_100000760018 [0,1,0,0,0,1|0,0,2]=4 5607 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000760018_100000211660 [0,1,0,0,0,1|0,0,2]=4 5608 B11R0.59 C=C(CNC(C)C)C(=O)OCC 34a_100138425928_100000755967 [0,1,0,0,0,1|0,0,1]=3 5609 B11R0.59 C=C(COC(C)C)C(=O)OCC 34a_100000212225_100000755967 [0,1,0,0,0,1|0,0,1]=3 5610 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000210206_100000755967 [0,1,0,0,0,1|0,0,1]=3 5611 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000755967_100000210206 [0,1,0,0,0,1|0,0,1]=3 5612 B11R0.59 CC#CC(=O)C(C)CCC(C)C 1458a_100000763181_100011261404 [0,1,0,0,0,1|1,0,1]=4 5613 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [0,1,0,0,0,1|2,0,0]=4 5614 B11R0.59 CC(C)CCN(C)C(=O)CCO 240690a_100000742789_100011216618 [0,1,0,0,0,1|2,0,0]=4 5615 B11R0.59 CC/C=C(\C)/C(=O)CCC(C)C 1458a_100016988807_100000210312 [0,1,0,0,0,1|2,0,0]=4 5616 B11R0.59 CC=CC(=O)C(C)CCC(C)C 1458a_100000210699_100011261404 [0,1,0,0,0,1|1,0,1]=4 5617 B11R0.59 CC=CC(=O)N(C)CCC(C)C 11a_100000742789_100000210699 [0,1,0,0,0,1|1,0,1]=4 5618 B11R0.59 CC=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000210699 [0,1,0,0,0,1|1,0,1]=4 5619 B11R0.59 CC=CC(=O)N(C)CCC(C)C 240690a_100000742789_100000210699 [0,1,0,0,0,1|1,0,1]=4 5620 B11R0.59 CCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210303 [0,1,0,0,0,1|1,0,1]=4 5621 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,1,0,0,0,1|1,0,0]=3 5622 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [0,1,0,0,0,1|1,0,0]=3 5623 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [0,1,0,0,0,1|1,0,0]=3 5624 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [0,1,0,0,0,1|1,0,0]=3 5625 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [0,1,0,0,0,1|1,0,0]=3 5626 B11R0.59 CCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000211992 [0,1,0,0,0,1|2,0,0]=4 5627 B11R0.59 CCCC(=O)N(C)CCN(C)C 527a_100000225618_100000211992 [0,1,0,0,0,1|2,0,0]=4 5628 B11R0.59 CCNC(=O)C(=O)CCC(C)C 1458a_200011297158_100000210312 [0,1,0,0,0,1|1,0,0]=3 5629 B11R0.59 CCNC(=O)C(=O)CCC(C)O 1458a_200011297158_100012276601 [0,1,0,0,0,1|2,0,0]=4 5630 B11R0.59 CCNC(=O)C(=O)NCC(C)C 1626a_100000210953_200011297158 [0,1,0,0,0,1|1,0,1]=4 5631 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100000210953_200011297158 [0,1,0,0,0,1|1,0,1]=4 5632 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100015525214_200011297155 [0,1,0,0,0,1|1,0,1]=4 5633 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100000210953_200011297158 [0,1,0,0,0,1|1,0,1]=4 5634 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100015525214_200011297155 [0,1,0,0,0,1|1,0,1]=4 5635 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230173 [0,1,0,0,0,1|1,0,0]=3 5636 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000736553_100000210760 [0,1,0,0,0,1|1,0,0]=3 5637 B11R0.59 CCNC(=O)C(C)NCC(C)C 270004a_100000736553_100000210432 [0,1,0,0,0,1|1,0,0]=3 5638 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230173 [0,1,0,0,0,1|1,0,0]=3 5639 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000736553_100000210624 [0,1,0,0,0,1|1,0,0]=3 5640 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230173 [0,1,0,0,0,1|2,0,0]=4 5641 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000736553_100011218427 [0,1,0,0,0,1|2,0,0]=4 5642 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000210904_100000230173 [0,1,0,0,0,1|2,0,0]=4 5643 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000736553_100011218427 [0,1,0,0,0,1|2,0,0]=4 5644 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 2230a_100000736553_100009817552 [0,1,0,0,0,1|2,0,0]=4 5645 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 34a_100000736553_100009817552 [0,1,0,0,0,1|2,0,0]=4 5646 B11R0.59 CCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000230173 [0,1,0,0,0,1|2,0,0]=4 5647 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [0,1,0,0,0,1|1,0,0]=3 5648 B11R0.59 CCNC(=O)C(C)OCC(C)F 34a_100015925927_100000230173 [0,1,0,0,0,1|2,0,0]=4 5649 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000230173 [0,1,0,0,0,1|2,0,0]=4 5650 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000230173 [0,1,0,0,0,1|2,0,0]=4 5651 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230173 [0,1,0,0,0,1|1,0,0]=3 5652 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000230173_100000210760 [0,1,0,0,0,1|1,0,0]=3 5653 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100000230173_100011218427 [0,1,0,0,0,1|2,0,0]=4 5654 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230173 [0,1,0,0,0,1|2,0,0]=4 5655 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100000230173_100009817552 [0,1,0,0,0,1|2,0,0]=4 5656 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230173 [0,1,0,0,0,1|2,0,0]=4 5657 B11R0.59 CCNC(=O)N(C)CCC(C)C 2708a_100015525214_100000742789 [0,1,0,0,0,1|1,0,0]=3 5658 B11R0.59 CCNC(=O)N(C)CCC(C)C 273464a_100015525214_100000742789 [0,1,0,0,0,1|1,0,0]=3 5659 B11R0.59 CCNC(=O)N(C)CCN(C)C 2708a_100015525214_100000225618 [0,1,0,0,0,1|2,0,0]=4 5660 B11R0.59 CCNC(=O)N(C)CCN(C)C 273464a_100015525214_100000225618 [0,1,0,0,0,1|2,0,0]=4 5661 B11R0.59 CCOC(=O)C(=NNC(C)C)C 4a_100000741168_100000209952 [0,1,0,0,0,1|1,0,1]=4 5662 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000210206_100000211299 [0,1,0,0,0,1|0,0,1]=3 5663 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000211299_100000210206 [0,1,0,0,0,1|0,0,1]=3 5664 B11R0.59 CCOC(=O)C(=O)NCC(C)C 11a_100000210953_100014798877 [0,1,0,0,0,1|0,0,1]=3 5665 B11R0.59 CCOC(=O)C(=O)NCC(C)C 1626a_100000210953_100014798877 [0,1,0,0,0,1|0,0,1]=3 5666 B11R0.59 CCOC(=O)C(=O)NCC(C)C 240690a_100000210953_100014798877 [0,1,0,0,0,1|0,0,1]=3 5667 B11R0.59 CCOC(=O)C(=O)NCC(C)O 11a_100000210904_100014798877 [0,1,0,0,0,1|1,0,1]=4 5668 B11R0.59 CCOC(=O)C(=O)NCC(C)O 240690a_100000210904_100014798877 [0,1,0,0,0,1|1,0,1]=4 5669 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,1,0,0,0,1|0,0,0]=2 5670 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,1,0,0,0,1|0,0,0]=2 5671 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [0,1,0,0,0,1|1,0,0]=3 5672 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [0,1,0,0,0,1|1,0,0]=3 5673 B11R0.59 CCOC(=O)C(C)NCC(F)F 34a_100000765723_100011216346 [0,1,0,0,0,1|2,0,0]=4 5674 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,1,0,0,0,1|1,0,1]=4 5675 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [0,1,0,0,0,1|1,0,0]=3 5676 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,1,0,0,0,1|0,0,0]=2 5677 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [0,1,0,0,0,1|1,0,0]=3 5678 B11R0.59 CCOC(=O)C(C)OCC(F)F 34a_100000743014_100011216346 [0,1,0,0,0,1|2,0,0]=4 5679 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [0,1,0,0,0,1|1,0,0]=3 5680 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [0,1,0,0,0,1|1,0,0]=3 5681 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,1,0,0,0,1|0,0,0]=2 5682 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,1,0,0,0,1|0,0,0]=2 5683 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [0,1,0,0,0,1|1,0,0]=3 5684 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [0,1,0,0,0,1|1,0,0]=3 5685 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011216346_100011934356 [0,1,0,0,0,1|2,0,0]=4 5686 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011934356_100011216346 [0,1,0,0,0,1|2,0,0]=4 5687 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [0,1,0,0,0,1|1,0,0]=3 5688 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [0,1,0,0,0,1|1,0,0]=3 5689 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,1,0,0,0,1|0,0,0]=2 5690 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,1,0,0,0,1|0,0,0]=2 5691 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [0,1,0,0,0,1|1,0,0]=3 5692 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [0,1,0,0,0,1|1,0,0]=3 5693 B11R0.59 CCOC(=O)C(F)NCC(F)F 34a_100000765723_100000760018 [0,1,0,0,0,1|2,0,0]=4 5694 B11R0.59 CCOC(=O)C(F)OCC(=O)C 34a_100000211253_100000760018 [0,1,0,0,0,1|1,0,1]=4 5695 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [0,1,0,0,0,1|1,0,0]=3 5696 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,1,0,0,0,1|0,0,0]=2 5697 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [0,1,0,0,0,1|1,0,0]=3 5698 B11R0.59 CCOC(=O)C(F)OCC(F)F 34a_100000743014_100000760018 [0,1,0,0,0,1|2,0,0]=4 5699 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [0,1,0,0,0,1|1,0,0]=3 5700 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [0,1,0,0,0,1|1,0,0]=3 5701 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,1,0,0,0,1|0,0,0]=2 5702 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,1,0,0,0,1|0,0,0]=2 5703 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [0,1,0,0,0,1|1,0,0]=3 5704 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [0,1,0,0,0,1|1,0,0]=3 5705 B11R0.59 CCOC(=O)C(F)SCC(F)F 62a_100000760018_100011934356 [0,1,0,0,0,1|2,0,0]=4 5706 B11R0.59 CCOC(=O)C(F)SCC(F)F 62a_100011934356_100000760018 [0,1,0,0,0,1|2,0,0]=4 5707 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [0,1,0,0,0,1|1,0,0]=3 5708 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [0,1,0,0,0,1|1,0,0]=3 5709 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,1,0,0,0,1|0,0,0]=2 5710 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [0,1,0,0,0,1|1,0,0]=3 5711 B11R0.59 CCOC(=O)[C@H](C)OCC(F)F 7a_100000751109_100011934356 [0,1,0,0,0,1|2,0,0]=4 5712 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [0,1,0,0,0,1|1,0,0]=3 5713 B11R0.59 CCOC(C)C(=O)CCC(C)C 1458a_100000739345_100000210312 [0,1,0,0,0,1|1,0,1]=4 5714 B11R0.59 CCSC(=O)[C@H](C)NCC(C)C 2230a_100103168634_100000210760 [0,1,0,0,0,1|0,1,0]=3 5715 B11R0.59 CCSC(=O)[C@H](C)NCC(C)O 2230a_100103168634_100011218427 [0,1,0,0,0,1|1,1,0]=4 5716 B11R0.59 CCSC(=O)[C@H](C)NC[C@@H](C)O 2230a_100103168634_100009817552 [0,1,0,0,0,1|1,1,0]=4 5717 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [0,1,0,0,0,1|2,0,0]=4 5718 B11R0.59 COCC(=O)N(C)CCC(C)C 11a_100000742789_100000210968 [0,1,0,0,0,1|2,0,0]=4 5719 B11R0.59 COCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210968 [0,1,0,0,0,1|2,0,0]=4 5720 B11R0.59 COCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210968 [0,1,0,0,0,1|2,0,0]=4 5721 B11R0.59 COCC(=O)N(C)CCC(C)C 527a_100000742789_100000210968 [0,1,0,0,0,1|2,0,0]=4 5722 B11R0.59 CSCC(=O)C(C)CCC(C)C 1458a_100000184570_100011261404 [0,1,0,0,0,1|2,0,0]=4 5723 B11R0.59 CSCC(=O)N(C)CCC(C)C 11a_100000742789_100000184570 [0,1,0,0,0,1|2,0,0]=4 5724 B11R0.59 CSCC(=O)N(C)CCC(C)C 1626a_100000742789_100000184570 [0,1,0,0,0,1|2,0,0]=4 5725 B11R0.59 CSCC(=O)N(C)CCC(C)C 240690a_100000742789_100000184570 [0,1,0,0,0,1|2,0,0]=4 5726 B11R0.59 CSCC(=O)N(C)CCC(C)C 527a_100000742789_100000184570 [0,1,0,0,0,1|2,0,0]=4 5727 B11R0.104 CCCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211391 [0,1,0,0,0,1|2,0,0]=4 5728 B11R0.104 CCCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211391 [0,1,0,0,0,1|2,0,0]=4 5729 B11R0.104 CCCS(=O)(=O)NCCC(C)C 40a_100000210545_100000054278 [0,1,0,0,0,1|2,0,0]=4 5730 B11R0.104 CCOC(C)(C)CCCC(C)C 7a_100011215742_100000210202 [0,1,0,0,0,1|1,0,1]=4 5731 B11R0.104 CCO[Si](C)(C)CSCC(C)C 62a_100000210624_200000065227 [0,1,0,0,0,1|1,1,0]=4 5732 B11R0.104 CCO[Si](C)(C)CSCC(C)C 62a_200000065227_100000210760 [0,1,0,0,0,1|1,1,0]=4 5733 B11R0.141 C=COC(=O)CNC(C)C(C)C 2230a_100000211541_100000036128 [0,1,0,0,0,1|0,0,2]=4 5734 B11R0.141 CC(C)C(C)NCC(=O)NCO 2230a_100000211541_100000185155 [0,1,0,0,0,1|2,0,0]=4 5735 B11R0.141 CC(C)C(C)OCC(=O)NCO 7a_100000748068_100000185155 [0,1,0,0,0,1|2,0,0]=4 5736 B11R0.141 CC(C)C(O)CNC(=O)CCO 240690a_100000759067_100011216618 [0,1,0,0,0,1|2,0,0]=4 5737 B11R0.141 CC(C)N(C)CCC(=O)CCF 1458a_100015184040_100011217306 [0,1,0,0,0,1|2,0,0]=4 5738 B11R0.141 CC(C)N(C)CCC(=O)CCO 1458a_100015184040_100000211926 [0,1,0,0,0,1|2,0,0]=4 5739 B11R0.141 CC=CC(=O)NCC(O)C(C)C 11a_100000759067_100000210699 [0,1,0,0,0,1|1,0,1]=4 5740 B11R0.141 CC=CC(=O)NCC(O)C(C)C 240690a_100000759067_100000210699 [0,1,0,0,0,1|1,0,1]=4 5741 B11R0.141 CCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210303 [0,1,0,0,0,1|2,0,0]=4 5742 B11R0.141 CCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210303 [0,1,0,0,0,1|1,0,0]=3 5743 B11R0.141 CCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210303 [0,1,0,0,0,1|1,0,1]=4 5744 B11R0.141 CCCC(=O)CNC(C)C(C)C 2230a_100000211541_100000747444 [0,1,0,0,0,1|1,0,0]=3 5745 B11R0.141 CCCC(=O)COC(=O)C(C)C 1458a_100000211992_100000139345 [0,1,0,0,0,1|1,0,1]=4 5746 B11R0.141 CCCC(=O)COC(C)C(C)C 7a_100000748068_100000747444 [0,1,0,0,0,1|1,0,0]=3 5747 B11R0.141 CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000211992 [0,1,0,0,0,1|1,0,0]=3 5748 B11R0.141 CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211992 [0,1,0,0,0,1|1,0,0]=3 5749 B11R0.141 CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000211992 [0,1,0,0,0,1|1,0,0]=3 5750 B11R0.141 CCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100000034017 [0,1,0,0,0,1|1,0,1]=4 5751 B11R0.141 CCCC(=O)OCN(C)C(C)C 269982a_200000211004_100000034017 [0,1,0,0,0,1|2,0,0]=4 5752 B11R0.141 CCNC(=O)CCC(=O)C(C)C 1458a_100000199579_100000210206 [0,1,0,0,0,1|1,0,0]=3 5753 B11R0.141 CCNC(=O)CCC(=O)N(C)C 11a_100015525214_100011200748 [0,1,0,0,0,1|2,0,0]=4 5754 B11R0.141 CCNC(=O)CCC(=O)N(C)C 11a_100102631434_100000199579 [0,1,0,0,0,1|2,0,0]=4 5755 B11R0.141 CCNC(=O)CCC(=O)N(C)C 1626a_100102631434_100000199579 [0,1,0,0,0,1|2,0,0]=4 5756 B11R0.141 CCNC(=O)CCC(=O)N(C)C 240690a_100015525214_100011200748 [0,1,0,0,0,1|2,0,0]=4 5757 B11R0.141 CCNC(=O)CCC(=O)N(C)C 240690a_100102631434_100000199579 [0,1,0,0,0,1|2,0,0]=4 5758 B11R0.141 CCNC(=O)CCC(=O)N(C)C 527a_100015525214_100011200748 [0,1,0,0,0,1|2,0,0]=4 5759 B11R0.141 CCNC(=O)CCN(C)C(C)C 240690a_100015525214_100015184040 [0,1,0,0,0,1|1,0,0]=3 5760 B11R0.141 CCNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737597 [0,1,0,0,0,1|1,0,0]=3 5761 B11R0.141 CCNC(=O)CNC(=O)C(C)C 11a_100015525214_100000194582 [0,1,0,0,0,1|1,0,1]=4 5762 B11R0.141 CCNC(=O)CNC(=O)C(C)C 11a_100016988866_100000210198 [0,1,0,0,0,1|1,0,1]=4 5763 B11R0.141 CCNC(=O)CNC(=O)C(C)C 1626a_100016988866_100000210198 [0,1,0,0,0,1|1,0,1]=4 5764 B11R0.141 CCNC(=O)CNC(=O)C(C)C 240690a_100015525214_100000194582 [0,1,0,0,0,1|1,0,1]=4 5765 B11R0.141 CCNC(=O)CNC(=O)C(C)C 240690a_100016988866_100000210198 [0,1,0,0,0,1|1,0,1]=4 5766 B11R0.141 CCNC(=O)CNC(=O)C(C)C 527a_100015525214_100000194582 [0,1,0,0,0,1|1,0,1]=4 5767 B11R0.141 CCNC(=O)CNC(=O)C(C)C 527a_100016988866_100000210198 [0,1,0,0,0,1|1,0,1]=4 5768 B11R0.141 CCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183381 [0,1,0,0,0,1|1,0,0]=3 5769 B11R0.141 CCNC(=O)COC(C)C(C)C 7a_100000748068_100000183381 [0,1,0,0,0,1|1,0,0]=3 5770 B11R0.141 CCNC(=O)NCC(O)C(C)C 2708a_100015525214_100000759067 [0,1,0,0,0,1|1,0,0]=3 5771 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100000759067_100015525214 [0,1,0,0,0,1|1,0,0]=3 5772 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100015525214_100000759067 [0,1,0,0,0,1|1,0,0]=3 5773 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100000759067_100015525214 [0,1,0,0,0,1|1,0,0]=3 5774 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100015525214_100000759067 [0,1,0,0,0,1|1,0,0]=3 5775 B11R0.141 CCOC(=O)C=CC(=O)C(C)C 1458a_100000210415_100000210206 [0,1,0,0,0,1|0,0,2]=4 5776 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,1,0,0,0,1|0,0,0]=2 5777 B11R0.141 CCOC(=O)CCC(=O)N(C)C 11a_100102631434_100000183558 [0,1,0,0,0,1|1,0,0]=3 5778 B11R0.141 CCOC(=O)CCC(=O)N(C)C 1626a_100102631434_100000183558 [0,1,0,0,0,1|1,0,0]=3 5779 B11R0.141 CCOC(=O)CCC(=O)N(C)C 240690a_100102631434_100000183558 [0,1,0,0,0,1|1,0,0]=3 5780 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,1,0,0,0,1|1,0,1]=4 5781 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,1,0,0,0,1|1,0,0]=3 5782 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,1,0,0,0,1|1,0,0]=3 5783 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,1,0,0,0,1|1,0,1]=4 5784 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,1,0,0,0,1|1,0,1]=4 5785 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,1,0,0,0,1|1,0,1]=4 5786 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,1,0,0,0,1|1,0,1]=4 5787 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,1,0,0,0,1|0,0,0]=2 5788 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,1,0,0,0,1|0,0,0]=2 5789 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,1,0,0,0,1|0,0,0]=2 5790 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,1,0,0,0,1|0,0,0]=2 5791 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,1,0,0,0,1|0,0,0]=2 5792 B11R0.141 CCOC(=O)CNC(=O)C(C)C 188690a_100000741813_100000210198 [0,1,0,0,0,1|0,0,1]=3 5793 B11R0.141 CCOC(=O)CNC(=O)C(C)F 188690a_100000741813_100000062450 [0,1,0,0,0,1|1,0,1]=4 5794 B11R0.141 CCOC(=O)CNC(=O)[C@@H](C)O 188690a_100000741813_100000717761 [0,1,0,0,0,1|1,0,1]=4 5795 B11R0.141 CCOC(=O)CNC(=O)[C@H](C)O 188690a_100000741813_217856618621 [0,1,0,0,0,1|1,0,1]=4 5796 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,1,0,0,0,1|0,0,0]=2 5797 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,1,0,0,0,1|1,0,1]=4 5798 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,1,0,0,0,1|0,0,0]=2 5799 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,1,0,0,0,1|1,0,1]=4 5800 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,1,0,0,0,1|1,0,1]=4 5801 B11R0.141 CCOC(=O)NCC(=O)C(C)C 1458a_100000190774_100000210206 [0,1,0,0,0,1|0,0,1]=3 5802 B11R0.141 CCOC(=O)NCC(=O)N(C)C 11a_100102631434_100000190774 [0,1,0,0,0,1|1,0,1]=4 5803 B11R0.141 CCOC(=O)NCC(=O)N(C)C 1626a_100102631434_100000190774 [0,1,0,0,0,1|1,0,1]=4 5804 B11R0.141 CCOC(=O)NCC(=O)N(C)C 240690a_100102631434_100000190774 [0,1,0,0,0,1|1,0,1]=4 5805 B11R0.141 CCOC(=O)NCC(=O)N(C)C 527a_100102631434_100000190774 [0,1,0,0,0,1|1,0,1]=4 5806 B11R0.141 CNNC(=O)CCN(C)C(C)C 22a_100016993582_100015184040 [0,1,0,0,0,1|2,0,0]=4 5807 B11R0.141 CNNC(=O)NCC(O)C(C)C 273464a_100000759067_100016993582 [0,1,0,0,0,1|2,0,0]=4 5808 B11R0.141 CNNC(=O)NCC(O)C(C)C 512a_100000759067_100016993582 [0,1,0,0,0,1|2,0,0]=4 5809 B11R0.141 CNNC(=O)NCC(O)C(C)C 512a_100016993582_100000759067 [0,1,0,0,0,1|2,0,0]=4 5810 B11R0.141 COCC(=O)NCC(O)C(C)C 11a_100000759067_100000210968 [0,1,0,0,0,1|2,0,0]=4 5811 B11R0.141 COCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210968 [0,1,0,0,0,1|2,0,0]=4 5812 B11R0.141 COCC(=O)NCC(O)C(C)C 527a_100000759067_100000210968 [0,1,0,0,0,1|2,0,0]=4 5813 B11R0.141 CSCC(=O)NCC(O)C(C)C 11a_100000759067_100000184570 [0,1,0,0,0,1|2,0,0]=4 5814 B11R0.141 CSCC(=O)NCC(O)C(C)C 240690a_100000759067_100000184570 [0,1,0,0,0,1|2,0,0]=4 5815 B11R0.141 CSCC(=O)NCC(O)C(C)C 527a_100000759067_100000184570 [0,1,0,0,0,1|2,0,0]=4 5816 B11R0.145 C/C=C(\C)/C(=O)CCCC(C)C 1458a_100020587367_100011214892 [0,1,0,0,0,1|1,0,1]=4 5817 B11R0.145 C/C=C(\C)/C(=O)CCOC(C)C 1458a_100020587367_100000211751 [0,1,0,0,0,1|1,0,1]=4 5818 B11R0.145 C/C=C(\C)/C(=O)CCSC(C)C 1458a_100020587367_100000730970 [0,1,0,0,0,1|1,0,1]=4 5819 B11R0.145 C/C=C(\C)/C(=O)NCCC(C)C 11a_100000210545_100020587367 [0,1,0,0,0,1|1,0,1]=4 5820 B11R0.145 C/C=C(\C)/C(=O)NCCC(C)C 1626a_100000210545_100020587367 [0,1,0,0,0,1|1,0,1]=4 5821 B11R0.145 CC(C)CCCC(=O)C(O)CO 1458a_100011215603_100011214892 [0,1,0,0,0,1|2,0,0]=4 5822 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_100000735922_200025704644 [0,1,0,0,0,1|2,0,0]=4 5823 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735922 [0,1,0,0,0,1|2,0,0]=4 5824 B11R0.145 CC(C)CCNC(=O)C(O)CO 240690a_100000210545_100011215603 [0,1,0,0,0,1|2,0,0]=4 5825 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 34a_200000034679_200025704644 [0,1,0,0,0,1|2,0,0]=4 5826 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 7a_200000034679_200025704644 [0,1,0,0,0,1|2,0,0]=4 5827 B11R0.145 CC(C)OCCC(=O)C(O)CO 1458a_100011215603_100000211751 [0,1,0,0,0,1|2,0,0]=4 5828 B11R0.145 CC(C)SCCC(=O)C(O)CO 1458a_100011215603_100000730970 [0,1,0,0,0,1|2,0,0]=4 5829 B11R0.145 CCC(C)C(=O)C/C=C/C(C)C 1458a_100016292215_100000758301 [0,1,0,0,0,1|1,0,1]=4 5830 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,1|1,0,1]=4 5831 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [0,1,0,0,0,1|1,0,0]=3 5832 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [0,1,0,0,0,1|1,0,0]=3 5833 B11R0.145 CCC(C)C(=O)CCCC(C)O 1458a_100011192722_200000718107 [0,1,0,0,0,1|2,0,0]=4 5834 B11R0.145 CCC(C)C(=O)CCCN(C)C 1458a_100011192722_100000695564 [0,1,0,0,0,1|2,0,0]=4 5835 B11R0.145 CCC(C)C(=O)CCOC(C)C 1458a_100011192722_100000211751 [0,1,0,0,0,1|1,0,0]=3 5836 B11R0.145 CCC(C)C(=O)CCSC(C)C 1458a_100011192722_100000730970 [0,1,0,0,0,1|1,0,0]=3 5837 B11R0.145 CCC(C)C(=O)COCC(C)C 1458a_100011223364_100000758301 [0,1,0,0,0,1|1,0,0]=3 5838 B11R0.145 CCC(C)C(=O)NCCC(C)C 11a_100000210545_100011192722 [0,1,0,0,0,1|1,0,0]=3 5839 B11R0.145 CCC(C)C(=O)NCCC(C)C 1626a_100000210545_100011192722 [0,1,0,0,0,1|1,0,0]=3 5840 B11R0.145 CCC(C)C(=O)NCCC(C)C 240690a_100000210545_100011192722 [0,1,0,0,0,1|1,0,0]=3 5841 B11R0.145 CCC(C)C(=O)NCCC(C)C 527a_100000210545_100011192722 [0,1,0,0,0,1|1,0,0]=3 5842 B11R0.145 CCC(C)C(=O)NCCC(C)O 240690a_200000755665_100011192722 [0,1,0,0,0,1|2,0,0]=4 5843 B11R0.145 CCC(C)C(=O)NCCC(C)O 527a_200000755665_100011192722 [0,1,0,0,0,1|2,0,0]=4 5844 B11R0.145 CCC(C)C(=O)NCCN(C)C 240690a_100000210585_100011192722 [0,1,0,0,0,1|2,0,0]=4 5845 B11R0.145 CCC(C)C(=O)NCCN(C)C 527a_100000210585_100011192722 [0,1,0,0,0,1|2,0,0]=4 5846 B11R0.145 CCC(C)C(=O)NNCC(C)C 22a_100000696102_100011192722 [0,1,0,0,0,1|2,0,0]=4 5847 B11R0.145 CCC(O)C(=O)CCC=C(C)C 1458a_100011196387_100011217483 [0,1,0,0,0,1|1,0,1]=4 5848 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,1,0,0,0,1|1,0,0]=3 5849 B11R0.145 CCC(O)C(=O)CCCC(C)O 1458a_100011196387_200000718107 [0,1,0,0,0,1|2,0,0]=4 5850 B11R0.145 CCC(O)C(=O)CCCN(C)C 1458a_100011196387_100000695564 [0,1,0,0,0,1|2,0,0]=4 5851 B11R0.145 CCC(O)C(=O)CCOC(C)C 1458a_100011196387_100000211751 [0,1,0,0,0,1|1,0,0]=3 5852 B11R0.145 CCC(O)C(=O)CCSC(C)C 1458a_100011196387_100000730970 [0,1,0,0,0,1|1,0,0]=3 5853 B11R0.145 CCC(O)C(=O)NCCC(C)C 240690a_100000210545_100011196387 [0,1,0,0,0,1|1,0,0]=3 5854 B11R0.145 CCC(O)C(=O)NCCC(C)O 240690a_200000755665_100011196387 [0,1,0,0,0,1|2,0,0]=4 5855 B11R0.145 CCC(O)C(=O)NCCN(C)C 240690a_100000210585_100011196387 [0,1,0,0,0,1|2,0,0]=4 5856 B11R0.145 CCC(O)C(=O)NNCC(C)C 22a_100000696102_100011196387 [0,1,0,0,0,1|2,0,0]=4 5857 B11R0.145 CCN(C)C(=O)C/C=C/C(C)C 11a_100000225621_100016292215 [0,1,0,0,0,1|1,0,1]=4 5858 B11R0.145 CCN(C)C(=O)C/C=C/C(C)C 1626a_100000225621_100016292215 [0,1,0,0,0,1|1,0,1]=4 5859 B11R0.145 CCN(C)C(=O)C/C=C/C(C)C 240690a_100000225621_100016292215 [0,1,0,0,0,1|1,0,1]=4 5860 B11R0.145 CCN(C)C(=O)CCCC(C)C 11a_100000225621_100011216857 [0,1,0,0,0,1|1,0,0]=3 5861 B11R0.145 CCN(C)C(=O)CCCC(C)C 1626a_100000225621_100011216857 [0,1,0,0,0,1|1,0,0]=3 5862 B11R0.145 CCN(C)C(=O)CCCC(C)C 240690a_100000225621_100011216857 [0,1,0,0,0,1|1,0,0]=3 5863 B11R0.145 CCN(C)C(=O)CCCC(C)C 527a_100000225621_100011216857 [0,1,0,0,0,1|1,0,0]=3 5864 B11R0.145 CCN(C)C(=O)CCCC(C)O 1626a_100000225621_100000761597 [0,1,0,0,0,1|2,0,0]=4 5865 B11R0.145 CCN(C)C(=O)CCCC(C)O 527a_100000225621_100000761597 [0,1,0,0,0,1|2,0,0]=4 5866 B11R0.145 CCN(C)C(=O)CCCN(C)C 11a_100000225621_100000740757 [0,1,0,0,0,1|2,0,0]=4 5867 B11R0.145 CCN(C)C(=O)CCCN(C)C 240690a_100000225621_100000740757 [0,1,0,0,0,1|2,0,0]=4 5868 B11R0.145 CCN(C)C(=O)CNCC(C)C 2230a_100000210953_100000738999 [0,1,0,0,0,1|1,0,0]=3 5869 B11R0.145 CCN(C)C(=O)CNCC(C)C 34a_100000210953_100000738999 [0,1,0,0,0,1|1,0,0]=3 5870 B11R0.145 CCN(C)C(=O)CNCC(C)O 2230a_100000210904_100000738999 [0,1,0,0,0,1|2,0,0]=4 5871 B11R0.145 CCN(C)C(=O)CNCC(C)O 34a_100000210904_100000738999 [0,1,0,0,0,1|2,0,0]=4 5872 B11R0.145 CCN(C)C(=O)COCC(C)Br 34a_100012180447_100000738999 [0,1,0,0,0,1|2,0,0]=4 5873 B11R0.145 CCN(C)C(=O)COCC(C)C 11a_100000225621_100011223364 [0,1,0,0,0,1|1,0,0]=3 5874 B11R0.145 CCN(C)C(=O)COCC(C)C 1626a_100000225621_100011223364 [0,1,0,0,0,1|1,0,0]=3 5875 B11R0.145 CCN(C)C(=O)COCC(C)C 240690a_100000225621_100011223364 [0,1,0,0,0,1|1,0,0]=3 5876 B11R0.145 CCN(C)C(=O)COCC(C)C 34a_100000210257_100000738999 [0,1,0,0,0,1|1,0,0]=3 5877 B11R0.145 CCN(C)C(=O)COCC(C)C 527a_100000225621_100011223364 [0,1,0,0,0,1|1,0,0]=3 5878 B11R0.145 CCN(C)C(=O)COCC(C)F 34a_100015925927_100000738999 [0,1,0,0,0,1|2,0,0]=4 5879 B11R0.145 CCN(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000738999 [0,1,0,0,0,1|2,0,0]=4 5880 B11R0.145 CCN(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000738999 [0,1,0,0,0,1|2,0,0]=4 5881 B11R0.145 CCN(C)C(=O)CSCC(C)C 62a_100000210624_100000738999 [0,1,0,0,0,1|1,0,0]=3 5882 B11R0.145 CCN(C)C(=O)CSCC(C)C 62a_100000738999_100000210760 [0,1,0,0,0,1|1,0,0]=3 5883 B11R0.145 CCN(C)C(=O)CSCC(C)O 62a_100000738999_100011218427 [0,1,0,0,0,1|2,0,0]=4 5884 B11R0.145 CCN(C)C(=O)CSCC(C)O 62a_100011218427_100000738999 [0,1,0,0,0,1|2,0,0]=4 5885 B11R0.145 CCN(C)C(=O)CSC[C@@H](C)O 62a_100000738999_100009817552 [0,1,0,0,0,1|2,0,0]=4 5886 B11R0.145 CCN(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000738999 [0,1,0,0,0,1|2,0,0]=4 5887 B11R0.145 CCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000225621 [0,1,0,0,0,1|1,0,0]=3 5888 B11R0.145 CCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000225621 [0,1,0,0,0,1|1,0,0]=3 5889 B11R0.145 CCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000225621 [0,1,0,0,0,1|2,0,0]=4 5890 B11R0.145 CCN(C)C(=O)NCCN(C)C 273464a_100000210585_100000225621 [0,1,0,0,0,1|2,0,0]=4 5891 B11R0.145 CNC(=O)C(=O)CCCC(C)C 1458a_100011218921_100011214892 [0,1,0,0,0,1|2,0,0]=4 5892 B11R0.145 CNC(=O)C(=O)CCOC(C)C 1458a_100011218921_100000211751 [0,1,0,0,0,1|2,0,0]=4 5893 B11R0.145 CNC(=O)C(=O)CCSC(C)C 1458a_100011218921_100000730970 [0,1,0,0,0,1|2,0,0]=4 5894 B11R0.145 CNC(=O)C(=O)NCCC(C)C 1626a_100000210545_100011218921 [0,1,0,0,0,1|2,0,0]=4 5895 B11R0.145 CNC(=O)C(=O)NCCC(C)C 240690a_100000210545_100011218921 [0,1,0,0,0,1|2,0,0]=4 5896 B11R0.145 CNC(=O)C(=O)NCCC(C)C 527a_100000210545_100011218921 [0,1,0,0,0,1|2,0,0]=4 5897 B11R0.145 CNC(C)C(=O)NCCC(C)C 2230a_106832991635_100000735922 [0,1,0,0,0,1|2,0,0]=4 5898 B11R0.145 CNC(C)C(=O)NCCC(C)C 34a_100102657272_100000735922 [0,1,0,0,0,1|2,0,0]=4 5899 B11R0.145 CNC(C)C(=O)NCCC(C)C 7a_106832991635_100000735922 [0,1,0,0,0,1|2,0,0]=4 5900 B11R0.145 COC(=O)C(=O)CNCC(C)C 34a_100000210953_100011610305 [0,1,0,0,0,1|2,0,0]=4 5901 B11R0.145 COC(=O)C(=O)COCC(C)C 34a_100000210257_100011610305 [0,1,0,0,0,1|2,0,0]=4 5902 B11R0.145 COC(=O)C(=O)CSCC(C)C 62a_100000210624_100011610305 [0,1,0,0,0,1|2,0,0]=4 5903 B11R0.145 COC(=O)C(=O)CSCC(C)C 62a_100011610305_100000210760 [0,1,0,0,0,1|2,0,0]=4 5904 B11R0.145 COC(=O)C(=O)NCCC(C)C 11a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5905 B11R0.145 COC(=O)C(=O)NCCC(C)C 1626a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5906 B11R0.145 COC(=O)C(=O)NCCC(C)C 240690a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5907 B11R0.145 COC(=O)C(=O)NCCC(C)C 527a_100000210545_100000024059 [0,1,0,0,0,1|2,0,0]=4 5908 B11R0.145 COC(C)C(=O)CCCC(C)C 1458a_100000743197_100011214892 [0,1,0,0,0,1|2,0,0]=4 5909 B11R0.145 COC(C)C(=O)CCOC(C)C 1458a_100000743197_100000211751 [0,1,0,0,0,1|2,0,0]=4 5910 B11R0.145 COC(C)C(=O)CCSC(C)C 1458a_100000743197_100000730970 [0,1,0,0,0,1|2,0,0]=4 5911 B11R0.145 COC(C)C(=O)NCCC(C)C 11a_100000210545_100000743197 [0,1,0,0,0,1|2,0,0]=4 5912 B11R0.145 COC(C)C(=O)NCCC(C)C 1626a_100000210545_100000743197 [0,1,0,0,0,1|2,0,0]=4 5913 B11R0.145 COC(C)C(=O)NCCC(C)C 240690a_100000210545_100000743197 [0,1,0,0,0,1|2,0,0]=4 5914 B11R0.145 COC(C)C(=O)NCCC(C)C 34a_100138415774_100000735922 [0,1,0,0,0,1|2,0,0]=4 5915 B11R0.145 COC(C)C(=O)NCCC(C)C 527a_100000210545_100000743197 [0,1,0,0,0,1|2,0,0]=4 5916 B11R0.145 COC(C)C(=O)OCCC(C)C 34a_200000034679_200000210301 [0,1,0,0,0,1|2,0,0]=4 5917 B11R0.145 COC(C)C(=O)OCCC(C)C 7a_200000034679_200000210301 [0,1,0,0,0,1|2,0,0]=4 5918 B11R0.145 CON(C)C(=O)CNCC(C)C 2230a_100000210953_100000764215 [0,1,0,0,0,1|2,0,0]=4 5919 B11R0.145 CON(C)C(=O)CNCC(C)C 2230a_100015207273_100000210760 [0,1,0,0,0,1|2,0,0]=4 5920 B11R0.145 CON(C)C(=O)CNCC(C)C 270004a_100015207273_100000210432 [0,1,0,0,0,1|2,0,0]=4 5921 B11R0.145 CON(C)C(=O)CSCC(C)C 62a_100000210624_100000764215 [0,1,0,0,0,1|2,0,0]=4 5922 B11R0.145 CON(C)C(=O)CSCC(C)C 62a_100000764215_100000210760 [0,1,0,0,0,1|2,0,0]=4 5923 B11R0.145 CSC(C)C(=O)CCCC(C)C 1458a_100000149566_100011214892 [0,1,0,0,0,1|2,0,0]=4 5924 B11R0.145 CSC(C)C(=O)CCOC(C)C 1458a_100000149566_100000211751 [0,1,0,0,0,1|2,0,0]=4 5925 B11R0.145 CSC(C)C(=O)CCSC(C)C 1458a_100000149566_100000730970 [0,1,0,0,0,1|2,0,0]=4 5926 B11R0.145 CSC(C)C(=O)NCCC(C)C 11a_100000210545_100000149566 [0,1,0,0,0,1|2,0,0]=4 5927 B11R0.145 CSC(C)C(=O)NCCC(C)C 1626a_100000210545_100000149566 [0,1,0,0,0,1|2,0,0]=4 5928 B11R0.145 CSC(C)C(=O)NCCC(C)C 240690a_100000210545_100000149566 [0,1,0,0,0,1|2,0,0]=4 5929 B11R0.145 CSC(C)C(=O)NCCC(C)C 527a_100000210545_100000149566 [0,1,0,0,0,1|2,0,0]=4 5930 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_100000735922_200000210301 [0,1,0,0,0,1|2,0,0]=4 5931 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_200000210301_100000735922 [0,1,0,0,0,1|2,0,0]=4 5932 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [0,1,0,0,0,1|1,0,1]=4 5933 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [0,1,0,0,0,1|1,0,1]=4 5934 B11R0.147 C#CCCC(=O)CCOC(C)C 1458a_100000692101_100000211751 [0,1,0,0,0,1|1,0,1]=4 5935 B11R0.147 C#CCCC(=O)CCOC(C)C 34a_100011064465_100000210206 [0,1,0,0,0,1|1,0,1]=4 5936 B11R0.147 C#CCCC(=O)CCOC(C)C 7a_100011064465_100000210206 [0,1,0,0,0,1|1,0,1]=4 5937 B11R0.147 C#CCCC(=O)CCSC(C)C 1458a_100000692101_100000730970 [0,1,0,0,0,1|1,0,1]=4 5938 B11R0.147 C#CCCC(=O)COCC(C)C 1458a_100011223364_100000753159 [0,1,0,0,0,1|1,0,1]=4 5939 B11R0.147 C#CCCC(=O)NCCC(C)C 11a_100000210545_100000692101 [0,1,0,0,0,1|1,0,1]=4 5940 B11R0.147 C#CCCC(=O)NCCC(C)C 1626a_100000210545_100000692101 [0,1,0,0,0,1|1,0,1]=4 5941 B11R0.147 C#CCCC(=O)NCCC(C)C 240690a_100000210545_100000692101 [0,1,0,0,0,1|1,0,1]=4 5942 B11R0.147 C#CCCC(=O)NCCC(C)C 527a_100000210545_100000692101 [0,1,0,0,0,1|1,0,1]=4 5943 B11R0.147 C#CCNC(=O)CCCC(C)C 11a_100000212058_100011216857 [0,1,0,0,0,1|1,0,1]=4 5944 B11R0.147 C#CCNC(=O)CCCC(C)C 1626a_100000212058_100011216857 [0,1,0,0,0,1|1,0,1]=4 5945 B11R0.147 C#CCNC(=O)CCCC(C)C 240690a_100000212058_100011216857 [0,1,0,0,0,1|1,0,1]=4 5946 B11R0.147 C#CCNC(=O)CCCC(C)C 527a_100000212058_100011216857 [0,1,0,0,0,1|1,0,1]=4 5947 B11R0.147 C#CCNC(=O)CNCC(C)C 2230a_100000747989_100000210760 [0,1,0,0,0,1|1,0,1]=4 5948 B11R0.147 C#CCNC(=O)CNCC(C)C 34a_100000747989_100000210624 [0,1,0,0,0,1|1,0,1]=4 5949 B11R0.147 C#CCNC(=O)COCC(C)C 11a_100000212058_100011223364 [0,1,0,0,0,1|1,0,1]=4 5950 B11R0.147 C#CCNC(=O)COCC(C)C 1626a_100000212058_100011223364 [0,1,0,0,0,1|1,0,1]=4 5951 B11R0.147 C#CCNC(=O)COCC(C)C 240690a_100000212058_100011223364 [0,1,0,0,0,1|1,0,1]=4 5952 B11R0.147 C#CCNC(=O)COCC(C)C 527a_100000212058_100011223364 [0,1,0,0,0,1|1,0,1]=4 5953 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000210545_100000212058 [0,1,0,0,0,1|1,0,1]=4 5954 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000212058_100000210545 [0,1,0,0,0,1|1,0,1]=4 5955 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000210545_100000212058 [0,1,0,0,0,1|1,0,1]=4 5956 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000212058_100000210545 [0,1,0,0,0,1|1,0,1]=4 5957 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000210545_100000212058 [0,1,0,0,0,1|1,0,1]=4 5958 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000212058_100000210545 [0,1,0,0,0,1|1,0,1]=4 5959 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [0,1,0,0,0,1|1,0,1]=4 5960 B11R0.147 C/C=C/CC(=O)COCC(C)C 1458a_100011223364_100102629194 [0,1,0,0,0,1|1,0,1]=4 5961 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [0,1,0,0,0,1|0,0,2]=4 5962 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_100000748629_200011215008 [0,1,0,0,0,1|0,0,2]=4 5963 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_200011215008_100000211660 [0,1,0,0,0,1|0,0,2]=4 5964 B11R0.147 C=C(CNCC(C)C)OCOC 34a_100000210953_100000042856 [0,1,0,0,0,1|1,0,0]=3 5965 B11R0.147 C=C(CNCC(C)O)OCOC 34a_100000210904_100000042856 [0,1,0,0,0,1|2,0,0]=4 5966 B11R0.147 C=C(COCC(C)Br)OCOC 34a_100012180447_100000042856 [0,1,0,0,0,1|2,0,0]=4 5967 B11R0.147 C=C(COCC(C)C)OCOC 34a_100000210257_100000042856 [0,1,0,0,0,1|1,0,0]=3 5968 B11R0.147 C=C(COCC(C)F)OCOC 34a_100015925927_100000042856 [0,1,0,0,0,1|2,0,0]=4 5969 B11R0.147 C=C(COC[C@@H](C)Cl)OCOC 34a_100016084084_100000042856 [0,1,0,0,0,1|2,0,0]=4 5970 B11R0.147 C=C(COC[C@@H](C)N)OCOC 34a_100000737577_100000042856 [0,1,0,0,0,1|2,0,0]=4 5971 B11R0.147 C=C(CSCC(C)C)OCOC 62a_100000042856_100000210760 [0,1,0,0,0,1|1,0,0]=3 5972 B11R0.147 C=C(CSCC(C)C)OCOC 62a_100000210624_100000042856 [0,1,0,0,0,1|1,0,0]=3 5973 B11R0.147 C=C(CSCC(C)O)OCOC 62a_100000042856_100011218427 [0,1,0,0,0,1|2,0,0]=4 5974 B11R0.147 C=C(CSCC(C)O)OCOC 62a_100011218427_100000042856 [0,1,0,0,0,1|2,0,0]=4 5975 B11R0.147 C=C(CSC[C@@H](C)O)OCOC 62a_100000042856_100009817552 [0,1,0,0,0,1|2,0,0]=4 5976 B11R0.147 C=C(CSC[C@@H](C)O)OCOC 62a_100009817552_100000042856 [0,1,0,0,0,1|2,0,0]=4 5977 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,1,0,0,0,1|1,0,1]=4 5978 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,1,0,0,0,1|1,0,1]=4 5979 B11R0.147 C=CCCC(=O)CCOC(C)C 1458a_100000749702_100000211751 [0,1,0,0,0,1|1,0,1]=4 5980 B11R0.147 C=CCCC(=O)CCSC(C)C 1458a_100000749702_100000730970 [0,1,0,0,0,1|1,0,1]=4 5981 B11R0.147 C=CCCC(=O)COCC(C)C 1458a_100011223364_100000754431 [0,1,0,0,0,1|1,0,1]=4 5982 B11R0.147 C=CCCC(=O)NCCC(C)C 11a_100000210545_100000749702 [0,1,0,0,0,1|1,0,1]=4 5983 B11R0.147 C=CCCC(=O)NCCC(C)C 1626a_100000210545_100000749702 [0,1,0,0,0,1|1,0,1]=4 5984 B11R0.147 C=CCCC(=O)NCCC(C)C 240690a_100000210545_100000749702 [0,1,0,0,0,1|1,0,1]=4 5985 B11R0.147 C=CCCC(=O)NCCC(C)C 527a_100000210545_100000749702 [0,1,0,0,0,1|1,0,1]=4 5986 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [0,1,0,0,0,1|1,0,1]=4 5987 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [0,1,0,0,0,1|1,0,1]=4 5988 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [0,1,0,0,0,1|1,0,1]=4 5989 B11R0.147 C=CCNC(=O)CCNC(C)C 2230a_100138425928_100011222895 [0,1,0,0,0,1|1,0,1]=4 5990 B11R0.147 C=CCNC(=O)CCSC(C)C 62a_100000210206_100011222895 [0,1,0,0,0,1|1,0,1]=4 5991 B11R0.147 C=CCNC(=O)CCSC(C)C 62a_100011222895_100000210206 [0,1,0,0,0,1|1,0,1]=4 5992 B11R0.147 C=CCNC(=O)CNCC(C)C 2230a_100000210953_100000183597 [0,1,0,0,0,1|1,0,1]=4 5993 B11R0.147 C=CCNC(=O)COCC(C)C 1626a_100020586998_100011223364 [0,1,0,0,0,1|1,0,1]=4 5994 B11R0.147 C=CCNC(=O)COCC(C)C 240690a_100020586998_100011223364 [0,1,0,0,0,1|1,0,1]=4 5995 B11R0.147 C=CCNC(=O)COCC(C)C 527a_100020586998_100011223364 [0,1,0,0,0,1|1,0,1]=4 5996 B11R0.147 C=CCNC(=O)CSCC(C)C 62a_100000183597_100000210760 [0,1,0,0,0,1|1,0,1]=4 5997 B11R0.147 C=CCNC(=O)CSCC(C)C 62a_100000210624_100000183597 [0,1,0,0,0,1|1,0,1]=4 5998 B11R0.147 C=CCNC(=O)NCCC(C)C 2708a_100000210545_100020586998 [0,1,0,0,0,1|1,0,1]=4 5999 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100000210545_100020586998 [0,1,0,0,0,1|1,0,1]=4 6000 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100020586998_100000210545 [0,1,0,0,0,1|1,0,1]=4 6001 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100000210545_100020586998 [0,1,0,0,0,1|1,0,1]=4 6002 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100020586998_100000210545 [0,1,0,0,0,1|1,0,1]=4 6003 B11R0.147 C=CCOC(=O)CNCC(C)C 2230a_100000210953_100000033060 [0,1,0,0,0,1|0,0,1]=3 6004 B11R0.147 C=CCOC(=O)CNCC(C)C 34a_100000210953_100000033060 [0,1,0,0,0,1|0,0,1]=3 6005 B11R0.147 C=CCOC(=O)CNCC(C)O 2230a_100000210904_100000033060 [0,1,0,0,0,1|1,0,1]=4 6006 B11R0.147 C=CCOC(=O)CNCC(C)O 34a_100000210904_100000033060 [0,1,0,0,0,1|1,0,1]=4 6007 B11R0.147 C=CCOC(=O)COCC(C)Br 34a_100012180447_100000033060 [0,1,0,0,0,1|1,0,1]=4 6008 B11R0.147 C=CCOC(=O)COCC(C)C 34a_100000210257_100000033060 [0,1,0,0,0,1|0,0,1]=3 6009 B11R0.147 C=CCOC(=O)COCC(C)F 34a_100015925927_100000033060 [0,1,0,0,0,1|1,0,1]=4 6010 B11R0.147 C=CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000033060 [0,1,0,0,0,1|1,0,1]=4 6011 B11R0.147 C=CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000033060 [0,1,0,0,0,1|1,0,1]=4 6012 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000033060_100000210760 [0,1,0,0,0,1|0,0,1]=3 6013 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000210624_100000033060 [0,1,0,0,0,1|0,0,1]=3 6014 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100000033060_100011218427 [0,1,0,0,0,1|1,0,1]=4 6015 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100011218427_100000033060 [0,1,0,0,0,1|1,0,1]=4 6016 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100000033060_100009817552 [0,1,0,0,0,1|1,0,1]=4 6017 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000033060 [0,1,0,0,0,1|1,0,1]=4 6018 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [0,1,0,0,0,1|1,0,1]=4 6019 B11R0.147 CC#CCC(=O)COCC(C)C 1458a_100011223364_100000748600 [0,1,0,0,0,1|1,0,1]=4 6020 B11R0.147 CC(C)/C=C/CC(=O)CCCF 1458a_100016292215_100011934791 [0,1,0,0,0,1|1,0,1]=4 6021 B11R0.147 CC(C)/C=C/CC(=O)CCCO 1458a_100016292215_100011215043 [0,1,0,0,0,1|1,0,1]=4 6022 B11R0.147 CC(C)/C=C/CC(=O)NCCF 11a_100000724931_100016292215 [0,1,0,0,0,1|1,0,1]=4 6023 B11R0.147 CC(C)/C=C/CC(=O)NCCF 1626a_100000724931_100016292215 [0,1,0,0,0,1|1,0,1]=4 6024 B11R0.147 CC(C)/C=C/CC(=O)NCCF 240690a_100000724931_100016292215 [0,1,0,0,0,1|1,0,1]=4 6025 B11R0.147 CC(C)/C=C/CC(=O)NCCO 240690a_100000210304_100016292215 [0,1,0,0,0,1|1,0,1]=4 6026 B11R0.147 CC(C)CCCC(=O)C#CCO 1458a_100000049017_100011214892 [0,1,0,0,0,1|1,0,1]=4 6027 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [0,1,0,0,0,1|1,0,1]=4 6028 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [0,1,0,0,0,1|1,0,1]=4 6029 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,1,0,0,0,1|1,0,0]=3 6030 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,1,0,0,0,1|1,0,0]=3 6031 B11R0.147 CC(C)CCCC(=O)NCC#N 1626a_100000734998_100011216857 [0,1,0,0,0,1|1,0,1]=4 6032 B11R0.147 CC(C)CCCC(=O)NCC#N 527a_100000734998_100011216857 [0,1,0,0,0,1|1,0,1]=4 6033 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,1,0,0,0,1|1,0,0]=3 6034 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,1,0,0,0,1|1,0,0]=3 6035 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,1,0,0,0,1|1,0,0]=3 6036 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,1,0,0,0,1|1,0,0]=3 6037 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,1,0,0,0,1|1,0,0]=3 6038 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,1,0,0,0,1|1,0,0]=3 6039 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [0,1,0,0,0,1|1,0,1]=4 6040 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [0,1,0,0,0,1|1,0,1]=4 6041 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,1,0,0,0,1|1,0,1]=4 6042 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,1,0,0,0,1|1,0,1]=4 6043 B11R0.147 CC(C)CCNC(=O)CCC#N 11a_100000210545_100011934036 [0,1,0,0,0,1|1,0,1]=4 6044 B11R0.147 CC(C)CCNC(=O)CCC#N 1626a_100000210545_100011934036 [0,1,0,0,0,1|1,0,1]=4 6045 B11R0.147 CC(C)CCNC(=O)CCC#N 240690a_100000210545_100011934036 [0,1,0,0,0,1|1,0,1]=4 6046 B11R0.147 CC(C)CCNC(=O)CCC#N 527a_100000210545_100011934036 [0,1,0,0,0,1|1,0,1]=4 6047 B11R0.147 CC(C)CCNC(=O)NCC#N 2708a_100000734998_100000210545 [0,1,0,0,0,1|1,0,1]=4 6048 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000210545_100000734998 [0,1,0,0,0,1|1,0,1]=4 6049 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000734998_100000210545 [0,1,0,0,0,1|1,0,1]=4 6050 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000210545_100000734998 [0,1,0,0,0,1|1,0,1]=4 6051 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000734998_100000210545 [0,1,0,0,0,1|1,0,1]=4 6052 B11R0.147 CC(C)CCNC(=O)NCCF 2708a_100000210545_100000724931 [0,1,0,0,0,1|1,0,0]=3 6053 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000210545_100000724931 [0,1,0,0,0,1|1,0,0]=3 6054 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000724931_100000210545 [0,1,0,0,0,1|1,0,0]=3 6055 B11R0.147 CC(C)CCNC(=O)NCCF 512a_100000210545_100000724931 [0,1,0,0,0,1|1,0,0]=3 6056 B11R0.147 CC(C)CCNC(=O)NCCO 2708a_100000210545_100000210304 [0,1,0,0,0,1|1,0,0]=3 6057 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210304_100000210545 [0,1,0,0,0,1|1,0,0]=3 6058 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210545_100000210304 [0,1,0,0,0,1|1,0,0]=3 6059 B11R0.147 CC(C)CCNC(=O)NCCO 512a_100000210545_100000210304 [0,1,0,0,0,1|1,0,0]=3 6060 B11R0.147 CC(C)CNCC(=O)NCC#N 2230a_100000210953_100000736037 [0,1,0,0,0,1|1,0,1]=4 6061 B11R0.147 CC(C)CNCC(=O)NCCF 2230a_100000725713_100000210760 [0,1,0,0,0,1|1,0,0]=3 6062 B11R0.147 CC(C)CNCC(=O)NCCF 270004a_100000725713_100000210432 [0,1,0,0,0,1|1,0,0]=3 6063 B11R0.147 CC(C)CNNC(=O)NCCF 273464a_100000724931_100000696102 [0,1,0,0,0,1|2,0,0]=4 6064 B11R0.147 CC(C)CNNC(=O)NCCF 512a_100000696102_100000724931 [0,1,0,0,0,1|2,0,0]=4 6065 B11R0.147 CC(C)CNNC(=O)NCCO 273464a_100000210304_100000696102 [0,1,0,0,0,1|2,0,0]=4 6066 B11R0.147 CC(C)CNNC(=O)NCCO 512a_100000696102_100000210304 [0,1,0,0,0,1|2,0,0]=4 6067 B11R0.147 CC(C)COCC(=O)CCC#N 1458a_100011223364_100011215226 [0,1,0,0,0,1|1,0,1]=4 6068 B11R0.147 CC(C)COCC(=O)CCCF 1458a_100011223364_100011934791 [0,1,0,0,0,1|1,0,0]=3 6069 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,1,0,0,0,1|1,0,0]=3 6070 B11R0.147 CC(C)COCC(=O)NCC#N 1626a_100000734998_100011223364 [0,1,0,0,0,1|1,0,1]=4 6071 B11R0.147 CC(C)COCC(=O)NCC#N 527a_100000734998_100011223364 [0,1,0,0,0,1|1,0,1]=4 6072 B11R0.147 CC(C)COCC(=O)NCCF 11a_100000724931_100011223364 [0,1,0,0,0,1|1,0,0]=3 6073 B11R0.147 CC(C)COCC(=O)NCCF 1626a_100000724931_100011223364 [0,1,0,0,0,1|1,0,0]=3 6074 B11R0.147 CC(C)COCC(=O)NCCF 240690a_100000724931_100011223364 [0,1,0,0,0,1|1,0,0]=3 6075 B11R0.147 CC(C)COCC(=O)NCCF 527a_100000724931_100011223364 [0,1,0,0,0,1|1,0,0]=3 6076 B11R0.147 CC(C)COCC(=O)NCCO 240690a_100000210304_100011223364 [0,1,0,0,0,1|1,0,0]=3 6077 B11R0.147 CC(C)COCC(=O)NCCO 527a_100000210304_100011223364 [0,1,0,0,0,1|1,0,0]=3 6078 B11R0.147 CC(C)CSCC(=O)NCC#N 62a_100000210624_100000736037 [0,1,0,0,0,1|1,0,1]=4 6079 B11R0.147 CC(C)CSCC(=O)NCC#N 62a_100000736037_100000210760 [0,1,0,0,0,1|1,0,1]=4 6080 B11R0.147 CC(C)OCCC(=O)C#CCO 1458a_100000049017_100000211751 [0,1,0,0,0,1|1,0,1]=4 6081 B11R0.147 CC(C)OCCC(=O)CCC#N 1458a_100011934036_100000211751 [0,1,0,0,0,1|1,0,1]=4 6082 B11R0.147 CC(C)SCCC(=O)C#CCO 1458a_100000049017_100000730970 [0,1,0,0,0,1|1,0,1]=4 6083 B11R0.147 CC(C)SCCC(=O)CCC#N 1458a_100011934036_100000730970 [0,1,0,0,0,1|1,0,1]=4 6084 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,1,0,0,0,1|2,0,0]=4 6085 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,1,0,0,0,1|2,0,0]=4 6086 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,1,0,0,0,1|2,0,0]=4 6087 B11R0.147 CC(O)CCNC(=O)NCCF 273464a_200000755665_100000724931 [0,1,0,0,0,1|2,0,0]=4 6088 B11R0.147 CC(O)CCNC(=O)NCCF 512a_200000755665_100000724931 [0,1,0,0,0,1|2,0,0]=4 6089 B11R0.147 CC(O)CCNC(=O)NCCO 273464a_200000755665_100000210304 [0,1,0,0,0,1|2,0,0]=4 6090 B11R0.147 CC(O)CCNC(=O)NCCO 512a_200000755665_100000210304 [0,1,0,0,0,1|2,0,0]=4 6091 B11R0.147 CC(O)CNCC(=O)NCCF 2230a_100000725713_100011218427 [0,1,0,0,0,1|2,0,0]=4 6092 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [0,1,0,0,0,1|1,0,1]=4 6093 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [0,1,0,0,0,1|1,0,1]=4 6094 B11R0.147 CC=CCC(=O)CCOC(C)C 1458a_100121576822_100000211751 [0,1,0,0,0,1|1,0,1]=4 6095 B11R0.147 CC=CCC(=O)CCSC(C)C 1458a_100121576822_100000730970 [0,1,0,0,0,1|1,0,1]=4 6096 B11R0.147 CC=CCC(=O)COCC(C)C 1458a_100011223364_100000070051 [0,1,0,0,0,1|1,0,1]=4 6097 B11R0.147 CC=CCC(=O)NCCC(C)C 11a_100000210545_100121576822 [0,1,0,0,0,1|1,0,1]=4 6098 B11R0.147 CC=CCC(=O)NCCC(C)C 1626a_100000210545_100121576822 [0,1,0,0,0,1|1,0,1]=4 6099 B11R0.147 CC=CCC(=O)NCCC(C)C 240690a_100000210545_100121576822 [0,1,0,0,0,1|1,0,1]=4 6100 B11R0.147 CC=CCC(=O)NCCC(C)C 527a_100000210545_100121576822 [0,1,0,0,0,1|1,0,1]=4 6101 B11R0.147 CCC#CC(=O)CCC=C(C)C 1458a_100011827653_100011217483 [0,1,0,0,0,1|1,0,1]=4 6102 B11R0.147 CCC#CC(=O)CCCC(C)C 1458a_100011827653_100011214892 [0,1,0,0,0,1|1,0,0]=3 6103 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [0,1,0,0,0,1|2,0,0]=4 6104 B11R0.147 CCC#CC(=O)CCCN(C)C 1458a_100011827653_100000695564 [0,1,0,0,0,1|2,0,0]=4 6105 B11R0.147 CCC#CC(=O)CCOC(C)C 1458a_100011827653_100000211751 [0,1,0,0,0,1|1,0,0]=3 6106 B11R0.147 CCC#CC(=O)CCSC(C)C 1458a_100011827653_100000730970 [0,1,0,0,0,1|1,0,0]=3 6107 B11R0.147 CCC#CC(=O)NNCC(C)C 22a_100000696102_100011827653 [0,1,0,0,0,1|2,0,0]=4 6108 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [0,1,0,0,0,1|1,0,1]=4 6109 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [0,1,0,0,0,1|1,0,0]=3 6110 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,1,0,0,0,1|2,0,0]=4 6111 B11R0.147 CCC=CC(=O)CCCN(C)C 1458a_100000212282_100000695564 [0,1,0,0,0,1|2,0,0]=4 6112 B11R0.147 CCC=CC(=O)CCOC(C)C 1458a_100000212282_100000211751 [0,1,0,0,0,1|1,0,0]=3 6113 B11R0.147 CCC=CC(=O)CCSC(C)C 1458a_100000212282_100000730970 [0,1,0,0,0,1|1,0,0]=3 6114 B11R0.147 CCC=CC(=O)NCCC(C)C 11a_100000210545_100000212282 [0,1,0,0,0,1|1,0,0]=3 6115 B11R0.147 CCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212282 [0,1,0,0,0,1|1,0,0]=3 6116 B11R0.147 CCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212282 [0,1,0,0,0,1|1,0,0]=3 6117 B11R0.147 CCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212282 [0,1,0,0,0,1|2,0,0]=4 6118 B11R0.147 CCC=CC(=O)NCCN(C)C 240690a_100000210585_100000212282 [0,1,0,0,0,1|2,0,0]=4 6119 B11R0.147 CCC=CC(=O)NNCC(C)C 22a_100000696102_100000212282 [0,1,0,0,0,1|2,0,0]=4 6120 B11R0.147 CCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210211 [0,1,0,0,0,1|1,0,1]=4 6121 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,1|1,0,1]=4 6122 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,1,0,0,0,1|1,0,0]=3 6123 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,1,0,0,0,1|1,0,0]=3 6124 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,1,0,0,0,1|2,0,0]=4 6125 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,1,0,0,0,1|2,0,0]=4 6126 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,1,0,0,0,1|1,0,0]=3 6127 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [0,1,0,0,0,1|1,0,0]=3 6128 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [0,1,0,0,0,1|1,0,0]=3 6129 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [0,1,0,0,0,1|1,0,0]=3 6130 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [0,1,0,0,0,1|1,0,0]=3 6131 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [0,1,0,0,0,1|1,0,0]=3 6132 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [0,1,0,0,0,1|1,0,0]=3 6133 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,1,0,0,0,1|2,0,0]=4 6134 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,1,0,0,0,1|2,0,0]=4 6135 B11R0.147 CCCCC(=O)NCCN(C)C 240690a_100000210585_100000210183 [0,1,0,0,0,1|2,0,0]=4 6136 B11R0.147 CCCCC(=O)NCCN(C)C 527a_100000210585_100000210183 [0,1,0,0,0,1|2,0,0]=4 6137 B11R0.147 CCCCC(=O)NNCC(C)C 22a_100000696102_100000210183 [0,1,0,0,0,1|2,0,0]=4 6138 B11R0.147 CCCNC(=O)C/C=C/C(C)C 11a_100020643023_100016292215 [0,1,0,0,0,1|1,0,1]=4 6139 B11R0.147 CCCNC(=O)C/C=C/C(C)C 1626a_100020643023_100016292215 [0,1,0,0,0,1|1,0,1]=4 6140 B11R0.147 CCCNC(=O)C/C=C/C(C)C 240690a_100020643023_100016292215 [0,1,0,0,0,1|1,0,1]=4 6141 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,1,0,0,0,1|1,0,0]=3 6142 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,1,0,0,0,1|1,0,0]=3 6143 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,1,0,0,0,1|1,0,0]=3 6144 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,1,0,0,0,1|1,0,0]=3 6145 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,1,0,0,0,1|2,0,0]=4 6146 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,1,0,0,0,1|2,0,0]=4 6147 B11R0.147 CCCNC(=O)CCCN(C)C 11a_100020643023_100000740757 [0,1,0,0,0,1|2,0,0]=4 6148 B11R0.147 CCCNC(=O)CCCN(C)C 2230a_100102631434_100011194427 [0,1,0,0,0,1|2,0,0]=4 6149 B11R0.147 CCCNC(=O)CCCN(C)C 240690a_100020643023_100000740757 [0,1,0,0,0,1|2,0,0]=4 6150 B11R0.147 CCCNC(=O)CCCN(C)C 269982a_100102631434_100011194427 [0,1,0,0,0,1|2,0,0]=4 6151 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000174927_100000210760 [0,1,0,0,0,1|1,0,0]=3 6152 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000210953_100000183358 [0,1,0,0,0,1|1,0,0]=3 6153 B11R0.147 CCCNC(=O)CNCC(C)C 270004a_100000174927_100000210432 [0,1,0,0,0,1|1,0,0]=3 6154 B11R0.147 CCCNC(=O)CNCC(C)C 34a_100000210953_100000183358 [0,1,0,0,0,1|1,0,0]=3 6155 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000174927_100011218427 [0,1,0,0,0,1|2,0,0]=4 6156 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000210904_100000183358 [0,1,0,0,0,1|2,0,0]=4 6157 B11R0.147 CCCNC(=O)CNCC(C)O 34a_100000210904_100000183358 [0,1,0,0,0,1|2,0,0]=4 6158 B11R0.147 CCCNC(=O)CNC[C@@H](C)O 2230a_100000174927_100009817552 [0,1,0,0,0,1|2,0,0]=4 6159 B11R0.147 CCCNC(=O)COCC(C)Br 34a_100012180447_100000183358 [0,1,0,0,0,1|2,0,0]=4 6160 B11R0.147 CCCNC(=O)COCC(C)C 11a_100020643023_100011223364 [0,1,0,0,0,1|1,0,0]=3 6161 B11R0.147 CCCNC(=O)COCC(C)C 1626a_100020643023_100011223364 [0,1,0,0,0,1|1,0,0]=3 6162 B11R0.147 CCCNC(=O)COCC(C)C 240690a_100020643023_100011223364 [0,1,0,0,0,1|1,0,0]=3 6163 B11R0.147 CCCNC(=O)COCC(C)C 34a_100000210257_100000183358 [0,1,0,0,0,1|1,0,0]=3 6164 B11R0.147 CCCNC(=O)COCC(C)C 527a_100020643023_100011223364 [0,1,0,0,0,1|1,0,0]=3 6165 B11R0.147 CCCNC(=O)COCC(C)F 34a_100015925927_100000183358 [0,1,0,0,0,1|2,0,0]=4 6166 B11R0.147 CCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183358 [0,1,0,0,0,1|2,0,0]=4 6167 B11R0.147 CCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183358 [0,1,0,0,0,1|2,0,0]=4 6168 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000183358_100000210760 [0,1,0,0,0,1|1,0,0]=3 6169 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000210624_100000183358 [0,1,0,0,0,1|1,0,0]=3 6170 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100000183358_100011218427 [0,1,0,0,0,1|2,0,0]=4 6171 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100011218427_100000183358 [0,1,0,0,0,1|2,0,0]=4 6172 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100000183358_100009817552 [0,1,0,0,0,1|2,0,0]=4 6173 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183358 [0,1,0,0,0,1|2,0,0]=4 6174 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100000210545_100020643023 [0,1,0,0,0,1|1,0,0]=3 6175 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100020643023_100000210545 [0,1,0,0,0,1|1,0,0]=3 6176 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100000210545_100020643023 [0,1,0,0,0,1|1,0,0]=3 6177 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100020643023_100000210545 [0,1,0,0,0,1|1,0,0]=3 6178 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100000210545_100020643023 [0,1,0,0,0,1|1,0,0]=3 6179 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100020643023_100000210545 [0,1,0,0,0,1|1,0,0]=3 6180 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [0,1,0,0,0,1|2,0,0]=4 6181 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [0,1,0,0,0,1|2,0,0]=4 6182 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [0,1,0,0,0,1|2,0,0]=4 6183 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [0,1,0,0,0,1|2,0,0]=4 6184 B11R0.147 CCCNC(=O)NCCN(C)C 2708a_100020643023_100000210585 [0,1,0,0,0,1|2,0,0]=4 6185 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100000210585_100020643023 [0,1,0,0,0,1|2,0,0]=4 6186 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100020643023_100000210585 [0,1,0,0,0,1|2,0,0]=4 6187 B11R0.147 CCCNC(=O)NCCN(C)C 512a_100020643023_100000210585 [0,1,0,0,0,1|2,0,0]=4 6188 B11R0.147 CCCNC(=O)NNCC(C)C 273464a_100020643023_100000696102 [0,1,0,0,0,1|2,0,0]=4 6189 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100000696102_100020643023 [0,1,0,0,0,1|2,0,0]=4 6190 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100020643023_100000696102 [0,1,0,0,0,1|2,0,0]=4 6191 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,1,0,0,0,1|0,0,0]=2 6192 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,1,0,0,0,1|0,0,0]=2 6193 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,1,0,0,0,1|1,0,0]=3 6194 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,1,0,0,0,1|1,0,0]=3 6195 B11R0.147 CCCOC(=O)CNCC(F)F 34a_100000765723_200011215008 [0,1,0,0,0,1|2,0,0]=4 6196 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,1,0,0,0,1|1,0,1]=4 6197 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [0,1,0,0,0,1|1,0,0]=3 6198 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,1,0,0,0,1|0,0,0]=2 6199 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [0,1,0,0,0,1|1,0,0]=3 6200 B11R0.147 CCCOC(=O)COCC(F)F 34a_100000743014_200011215008 [0,1,0,0,0,1|2,0,0]=4 6201 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [0,1,0,0,0,1|1,0,0]=3 6202 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [0,1,0,0,0,1|1,0,0]=3 6203 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,1,0,0,0,1|0,0,0]=2 6204 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,1,0,0,0,1|0,0,0]=2 6205 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,1,0,0,0,1|1,0,0]=3 6206 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,1,0,0,0,1|1,0,0]=3 6207 B11R0.147 CCCOC(=O)CSCC(F)F 62a_100011934356_200011215008 [0,1,0,0,0,1|2,0,0]=4 6208 B11R0.147 CCCOC(=O)CSCC(F)F 62a_200011215008_100011934356 [0,1,0,0,0,1|2,0,0]=4 6209 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,1,0,0,0,1|1,0,0]=3 6210 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,1,0,0,0,1|1,0,0]=3 6211 B11R0.147 CCCOC(=O)OCNC(C)C 34a_100138425928_200000139673 [0,1,0,0,0,1|1,0,0]=3 6212 B11R0.147 CCCOC(=O)OCOC(C)C 34a_100000212225_200000139673 [0,1,0,0,0,1|1,0,0]=3 6213 B11R0.147 CCCOC(=O)OCSC(C)C 62a_100000210206_200000139673 [0,1,0,0,0,1|1,0,0]=3 6214 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,1,0,0,0,1|1,0,1]=4 6215 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,1,0,0,0,1|1,0,1]=4 6216 B11R0.147 CCCOC(C)CNCC(C)C 2230a_100015185124_100000210760 [0,1,0,0,0,1|1,0,1]=4 6217 B11R0.147 CCCOC(C)CNCC(C)C 270004a_100015185124_100000210432 [0,1,0,0,0,1|1,0,1]=4 6218 B11R0.147 CCCOC(C)CNCC(C)C 34a_100015185124_100000210624 [0,1,0,0,0,1|1,0,1]=4 6219 B11R0.147 CCNN=C(C)CCCC(C)C 4a_100000756455_100000753411 [0,1,0,0,0,1|2,0,0]=4 6220 B11R0.147 CCNN=C(C)CCOC(C)C 4a_100000756455_200011219172 [0,1,0,0,0,1|2,0,0]=4 6221 B11R0.147 CCNNC(=O)C/C=C/C(C)C 22a_100000756455_100016292215 [0,1,0,0,0,1|1,0,1]=4 6222 B11R0.147 CCNNC(=O)CCCC(C)C 22a_100000756455_100011216857 [0,1,0,0,0,1|1,0,0]=3 6223 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [0,1,0,0,0,1|2,0,0]=4 6224 B11R0.147 CCNNC(=O)CCCN(C)C 22a_100000756455_100000740757 [0,1,0,0,0,1|2,0,0]=4 6225 B11R0.147 CCNNC(=O)COCC(C)C 22a_100000756455_100011223364 [0,1,0,0,0,1|1,0,0]=3 6226 B11R0.147 CCNNC(=O)NCCC(C)C 273464a_100000210545_100000756455 [0,1,0,0,0,1|1,0,0]=3 6227 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000210545_100000756455 [0,1,0,0,0,1|1,0,0]=3 6228 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000756455_100000210545 [0,1,0,0,0,1|1,0,0]=3 6229 B11R0.147 CCNNC(=O)NCCC(C)O 273464a_200000755665_100000756455 [0,1,0,0,0,1|2,0,0]=4 6230 B11R0.147 CCNNC(=O)NCCC(C)O 512a_100000756455_200000755665 [0,1,0,0,0,1|2,0,0]=4 6231 B11R0.147 CCNNC(=O)NCCC(C)O 512a_200000755665_100000756455 [0,1,0,0,0,1|2,0,0]=4 6232 B11R0.147 CCNNC(=O)NCCN(C)C 273464a_100000210585_100000756455 [0,1,0,0,0,1|2,0,0]=4 6233 B11R0.147 CCNNC(=O)NCCN(C)C 512a_100000756455_100000210585 [0,1,0,0,0,1|2,0,0]=4 6234 B11R0.147 CCNNC(=O)NNCC(C)C 512a_100000696102_100000756455 [0,1,0,0,0,1|2,0,0]=4 6235 B11R0.147 CCNNC(=O)NNCC(C)C 512a_100000756455_100000696102 [0,1,0,0,0,1|2,0,0]=4 6236 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,1,0,0,0,1|0,0,1]=3 6237 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,1|1,0,1]=4 6238 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,1,0,0,0,1|0,0,0]=2 6239 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,1,0,0,0,1|1,0,0]=3 6240 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,1,0,0,0,1|1,0,0]=3 6241 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,1,0,0,0,1|1,0,1]=4 6242 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,1,0,0,0,1|1,0,1]=4 6243 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [0,1,0,0,0,1|0,0,0]=2 6244 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [0,1,0,0,0,1|0,0,0]=2 6245 B11R0.147 CCOCC(=O)NCC=C(C)C 11a_100000718196_100000211967 [0,1,0,0,0,1|0,0,2]=4 6246 B11R0.147 CCOCC(=O)NCC=C(C)C 1626a_100000718196_100000211967 [0,1,0,0,0,1|0,0,2]=4 6247 B11R0.147 CCOCC(=O)NCC=C(C)C 527a_100000718196_100000211967 [0,1,0,0,0,1|0,0,2]=4 6248 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [0,1,0,0,0,1|0,0,0]=2 6249 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [0,1,0,0,0,1|0,0,0]=2 6250 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [0,1,0,0,0,1|0,0,0]=2 6251 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [0,1,0,0,0,1|0,0,0]=2 6252 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,1,0,0,0,1|1,0,0]=3 6253 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,1,0,0,0,1|1,0,0]=3 6254 B11R0.147 CCOCC(=O)NCCN(C)C 240690a_100000210585_100000211967 [0,1,0,0,0,1|1,0,0]=3 6255 B11R0.147 CCOCC(=O)NCCN(C)C 527a_100000210585_100000211967 [0,1,0,0,0,1|1,0,0]=3 6256 B11R0.147 CCOCC(=O)NN=CC(C)C 4a_100000216846_100000210432 [0,1,0,0,0,1|1,0,1]=4 6257 B11R0.147 CCOCC(=O)NNCC(C)C 22a_100000696102_100000211967 [0,1,0,0,0,1|1,0,0]=3 6258 B11R0.147 CCOCC(=O)NNCC(C)O 22a_200000730056_100000211967 [0,1,0,0,0,1|2,0,0]=4 6259 B11R0.147 CCOCC(C)OCCC(C)C 34a_100000718985_100000210312 [0,1,0,0,0,1|1,0,1]=4 6260 B11R0.147 CCOCC(C)OCCC(C)C 7a_100000718985_100000210626 [0,1,0,0,0,1|1,0,1]=4 6261 B11R0.147 CCOCC(O)CNCC(C)C 2230a_102515437182_100000210760 [0,1,0,0,0,1|0,0,2]=4 6262 B11R0.147 CCOCC(O)CNCC(C)C 270004a_102515437182_100000210432 [0,1,0,0,0,1|0,0,2]=4 6263 B11R0.147 CCOCC(O)CNCC(C)C 34a_102515437182_100000210624 [0,1,0,0,0,1|0,0,2]=4 6264 B11R0.147 CCSCC(=O)CCC=C(C)C 1458a_100000230394_100011217483 [0,1,0,0,0,1|0,1,1]=4 6265 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,1,0,0,0,1|0,1,0]=3 6266 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,1,0,0,0,1|1,1,0]=4 6267 B11R0.147 CCSCC(=O)CCCN(C)C 1458a_100000230394_100000695564 [0,1,0,0,0,1|1,1,0]=4 6268 B11R0.147 CCSCC(=O)CCOC(C)C 1458a_100000230394_100000211751 [0,1,0,0,0,1|0,1,0]=3 6269 B11R0.147 CCSCC(=O)CCSC(C)C 1458a_100000230394_100000730970 [0,1,0,0,0,1|0,1,0]=3 6270 B11R0.147 CCSCC(=O)NCCC(C)C 11a_100000210545_100000230394 [0,1,0,0,0,1|0,1,0]=3 6271 B11R0.147 CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230394 [0,1,0,0,0,1|0,1,0]=3 6272 B11R0.147 CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230394 [0,1,0,0,0,1|0,1,0]=3 6273 B11R0.147 CCSCC(=O)NCCC(C)C 527a_100000210545_100000230394 [0,1,0,0,0,1|0,1,0]=3 6274 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [0,1,0,0,0,1|1,1,0]=4 6275 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [0,1,0,0,0,1|1,1,0]=4 6276 B11R0.147 CCSCC(=O)NCCN(C)C 240690a_100000210585_100000230394 [0,1,0,0,0,1|1,1,0]=4 6277 B11R0.147 CCSCC(=O)NCCN(C)C 527a_100000210585_100000230394 [0,1,0,0,0,1|1,1,0]=4 6278 B11R0.147 CCSCC(=O)NNCC(C)C 22a_100000696102_100000230394 [0,1,0,0,0,1|1,1,0]=4 6279 B11R0.147 CN(C)CCCC(=O)NCCF 11a_100000724931_100000740757 [0,1,0,0,0,1|2,0,0]=4 6280 B11R0.147 CN(C)CCCC(=O)NCCF 240690a_100000724931_100000740757 [0,1,0,0,0,1|2,0,0]=4 6281 B11R0.147 CN(C)CCCC(=O)NCCO 240690a_100000210304_100000740757 [0,1,0,0,0,1|2,0,0]=4 6282 B11R0.147 CN(C)CCNC(=O)NCCF 273464a_100000210585_100000724931 [0,1,0,0,0,1|2,0,0]=4 6283 B11R0.147 CN(C)CCNC(=O)NCCF 273464a_100000724931_100000210585 [0,1,0,0,0,1|2,0,0]=4 6284 B11R0.147 CN(C)CCNC(=O)NCCO 273464a_100000210304_100000210585 [0,1,0,0,0,1|2,0,0]=4 6285 B11R0.147 CN(C)CCNC(=O)NCCO 273464a_100000210585_100000210304 [0,1,0,0,0,1|2,0,0]=4 6286 B11R0.147 COC=CC(=O)CCCC(C)C 1458a_100016268678_100011214892 [0,1,0,0,0,1|1,0,1]=4 6287 B11R0.147 COC=CC(=O)CCOC(C)C 1458a_100016268678_100000211751 [0,1,0,0,0,1|1,0,1]=4 6288 B11R0.147 COC=CC(=O)CCSC(C)C 1458a_100016268678_100000730970 [0,1,0,0,0,1|1,0,1]=4 6289 B11R0.147 COC=CC(=O)NCCC(C)C 1626a_100000210545_100016268678 [0,1,0,0,0,1|1,0,1]=4 6290 B11R0.147 COC=CC(=O)NCCC(C)C 240690a_100000210545_100016268678 [0,1,0,0,0,1|1,0,1]=4 6291 B11R0.147 COCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000233755 [0,1,0,0,0,1|1,0,1]=4 6292 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [0,1,0,0,0,1|1,0,1]=4 6293 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,1,0,0,0,1|1,0,0]=3 6294 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,1,0,0,0,1|1,0,0]=3 6295 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,1,0,0,0,1|2,0,0]=4 6296 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [0,1,0,0,0,1|2,0,0]=4 6297 B11R0.147 COCCC(=O)CCOC(C)C 1458a_100000749529_100000211751 [0,1,0,0,0,1|1,0,0]=3 6298 B11R0.147 COCCC(=O)CCSC(C)C 1458a_100000749529_100000730970 [0,1,0,0,0,1|1,0,0]=3 6299 B11R0.147 COCCC(=O)COCC(C)C 1458a_100011223364_100000233755 [0,1,0,0,0,1|1,0,0]=3 6300 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [0,1,0,0,0,1|1,0,0]=3 6301 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [0,1,0,0,0,1|1,0,0]=3 6302 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [0,1,0,0,0,1|1,0,0]=3 6303 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [0,1,0,0,0,1|1,0,0]=3 6304 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [0,1,0,0,0,1|2,0,0]=4 6305 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [0,1,0,0,0,1|2,0,0]=4 6306 B11R0.147 COCCC(=O)NCCN(C)C 240690a_100000210585_100000749529 [0,1,0,0,0,1|2,0,0]=4 6307 B11R0.147 COCCC(=O)NCCN(C)C 527a_100000210585_100000749529 [0,1,0,0,0,1|2,0,0]=4 6308 B11R0.147 COCCC(=O)NNCC(C)C 22a_100000696102_100000749529 [0,1,0,0,0,1|2,0,0]=4 6309 B11R0.147 COCO[C@H](C)COCC(C)C 34a_100016172286_100000210624 [0,1,0,0,0,1|1,0,1]=4 6310 B11R0.147 COCO[C@H](C)COCC(C)C 7a_100016172286_100000210760 [0,1,0,0,0,1|1,0,1]=4 6311 B11R0.147 CSCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000751147 [0,1,0,0,0,1|1,0,1]=4 6312 B11R0.147 CSCCC(=O)CCC=C(C)C 1458a_100000174002_100011217483 [0,1,0,0,0,1|1,0,1]=4 6313 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,1,0,0,0,1|1,0,0]=3 6314 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,1,0,0,0,1|1,0,0]=3 6315 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,1,0,0,0,1|2,0,0]=4 6316 B11R0.147 CSCCC(=O)CCCN(C)C 1458a_100000174002_100000695564 [0,1,0,0,0,1|2,0,0]=4 6317 B11R0.147 CSCCC(=O)CCOC(C)C 1458a_100000174002_100000211751 [0,1,0,0,0,1|1,0,0]=3 6318 B11R0.147 CSCCC(=O)CCSC(C)C 1458a_100000174002_100000730970 [0,1,0,0,0,1|1,0,0]=3 6319 B11R0.147 CSCCC(=O)COCC(C)C 1458a_100011223364_100000751147 [0,1,0,0,0,1|1,0,0]=3 6320 B11R0.147 CSCCC(=O)NCCC(C)C 11a_100000210545_100000174002 [0,1,0,0,0,1|1,0,0]=3 6321 B11R0.147 CSCCC(=O)NCCC(C)C 1626a_100000210545_100000174002 [0,1,0,0,0,1|1,0,0]=3 6322 B11R0.147 CSCCC(=O)NCCC(C)C 240690a_100000210545_100000174002 [0,1,0,0,0,1|1,0,0]=3 6323 B11R0.147 CSCCC(=O)NCCC(C)C 527a_100000210545_100000174002 [0,1,0,0,0,1|1,0,0]=3 6324 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [0,1,0,0,0,1|2,0,0]=4 6325 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [0,1,0,0,0,1|2,0,0]=4 6326 B11R0.147 CSCCC(=O)NCCN(C)C 240690a_100000210585_100000174002 [0,1,0,0,0,1|2,0,0]=4 6327 B11R0.147 CSCCC(=O)NCCN(C)C 527a_100000210585_100000174002 [0,1,0,0,0,1|2,0,0]=4 6328 B11R0.147 CSCCC(=O)NNCC(C)C 22a_100000696102_100000174002 [0,1,0,0,0,1|2,0,0]=4 6329 B11R0.147 CSCOC(C)CCCC(C)C 34a_200011218570_100011218213 [0,1,0,0,0,1|1,0,1]=4 6330 B11R0.147 C[C@@H](O)CNCC(=O)NCCF 2230a_100000725713_100009817552 [0,1,0,0,0,1|2,0,0]=4 6331 B11R0.174 C#CC(C)NCCC(=O)NCC 2230a_100000707721_100000737597 [0,1,0,0,0,1|1,0,1]=4 6332 B11R0.174 C#CC(C)NCCC(=O)NCC 34a_100025743525_200000035995 [0,1,0,0,0,1|1,0,1]=4 6333 B11R0.174 C#CC(C)NCCC(=O)OCC 2230a_100000707721_100011206558 [0,1,0,0,0,1|0,0,1]=3 6334 B11R0.174 C#CC(C)NCCC(=O)OCC 34a_100000707721_100000765890 [0,1,0,0,0,1|0,0,1]=3 6335 B11R0.174 C#CC(C)SCCC(=O)NCC 62a_200000035995_100000737597 [0,1,0,0,0,1|1,0,1]=4 6336 B11R0.174 C#CC(C)SCCC(=O)OCC 62a_200000035995_100000765890 [0,1,0,0,0,1|0,0,1]=3 6337 B11R0.174 C#CC(C)SCOC(=O)OCC 62a_200000035995_100000075025 [0,1,0,0,0,1|1,0,1]=4 6338 B11R0.174 C#C[C@@H](C)OCCC(=O)NCC 7a_100009815206_100000737597 [0,1,0,0,0,1|1,0,1]=4 6339 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [0,1,0,0,0,1|0,0,1]=3 6340 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [0,1,0,0,0,1|0,0,1]=3 6341 B11R0.174 C=CC(C)COCC(=O)CCC 7a_100011215527_100000747444 [0,1,0,0,0,1|1,0,1]=4 6342 B11R0.174 C=CC(C)COCC(=O)NCC 34a_100011215527_100000183381 [0,1,0,0,0,1|1,0,1]=4 6343 B11R0.174 C=CC(C)COCC(=O)NCC 7a_100011215527_100000183381 [0,1,0,0,0,1|1,0,1]=4 6344 B11R0.174 C=CC(C)COCC(=O)OCC 34a_100011215527_100000188475 [0,1,0,0,0,1|0,0,1]=3 6345 B11R0.174 C=CC(C)COCC(=O)OCC 7a_100011215527_100000188475 [0,1,0,0,0,1|0,0,1]=3 6346 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [0,1,0,0,0,1|0,0,1]=3 6347 B11R0.174 C=CC(C)SCCC(=O)NCC 62a_100011215867_100000737597 [0,1,0,0,0,1|1,0,1]=4 6348 B11R0.174 C=CC(C)SCCC(=O)OCC 62a_100011215867_100000765890 [0,1,0,0,0,1|0,0,1]=3 6349 B11R0.174 C=CC(C)SCOC(=O)OCC 62a_100011215867_100000075025 [0,1,0,0,0,1|1,0,1]=4 6350 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000188475_100000730141 [0,1,0,0,0,1|1,0,1]=4 6351 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000730141_100000188475 [0,1,0,0,0,1|1,0,1]=4 6352 B11R0.174 C=COC(=O)CNCC(C)CC 2230a_100020588543_100000036128 [0,1,0,0,0,1|0,0,2]=4 6353 B11R0.174 C=COC(=O)CNCC(C)CO 34a_100000744482_100000036128 [0,1,0,0,0,1|0,0,2]=4 6354 B11R0.174 C=COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000036128 [0,1,0,0,0,1|0,0,2]=4 6355 B11R0.174 C=COC(=O)COCC(C)CN 34a_100000744482_100000036128 [0,1,0,0,0,1|0,0,2]=4 6356 B11R0.174 C=COC(=O)COCC(C)OC 34a_100000690652_100000036128 [0,1,0,0,0,1|0,0,2]=4 6357 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000036128_100000748023 [0,1,0,0,0,1|0,0,2]=4 6358 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000748023_100000036128 [0,1,0,0,0,1|0,0,2]=4 6359 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100000036128_100009816398 [0,1,0,0,0,1|0,0,2]=4 6360 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100009816398_100000036128 [0,1,0,0,0,1|0,0,2]=4 6361 B11R0.174 C=COC(=O)CSC[C@@H](C)CO 62a_100000036128_100000059175 [0,1,0,0,0,1|0,0,2]=4 6362 B11R0.174 C=COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000036128 [0,1,0,0,0,1|0,0,2]=4 6363 B11R0.174 C=C[C@H](N)COCC(=O)OCC 34a_100016989147_100000188475 [0,1,0,0,0,1|1,0,1]=4 6364 B11R0.174 CC(CN)COCC(=O)NCO 34a_100000744482_100000185155 [0,1,0,0,0,1|2,0,0]=4 6365 B11R0.174 CC(CO)CCNC(=O)CCO 240690a_106354213184_100011216618 [0,1,0,0,0,1|2,0,0]=4 6366 B11R0.174 CC(CO)CNCC(=O)NCO 34a_100000744482_100000185155 [0,1,0,0,0,1|2,0,0]=4 6367 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,1,0,0,0,1|1,0,1]=4 6368 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,1,0,0,0,1|1,0,1]=4 6369 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,1,0,0,0,1|1,0,1]=4 6370 B11R0.174 CC=CC(=O)NCCC(C)CO 240690a_106354213184_100000210699 [0,1,0,0,0,1|1,0,1]=4 6371 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,1,0,0,0,1|2,0,0]=4 6372 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,1,0,0,0,1|2,0,0]=4 6373 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,1,0,0,0,1|2,0,0]=4 6374 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,1,0,0,0,1|2,0,0]=4 6375 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,1,0,0,0,1|2,0,0]=4 6376 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,1,0,0,0,1|2,0,0]=4 6377 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,1,0,0,0,1|2,0,0]=4 6378 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,1,0,0,0,1|2,0,0]=4 6379 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,1,0,0,0,1|2,0,0]=4 6380 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,1,0,0,0,1|2,0,0]=4 6381 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,1,0,0,0,1|2,0,0]=4 6382 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,1,0,0,0,1|2,0,0]=4 6383 B11R0.174 CCC(C)CNCC(=O)NCO 2230a_100020588543_100000185155 [0,1,0,0,0,1|2,0,0]=4 6384 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000185155_100000748023 [0,1,0,0,0,1|2,0,0]=4 6385 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000748023_100000185155 [0,1,0,0,0,1|2,0,0]=4 6386 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,0,0,0,1|2,0,0]=4 6387 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,1,0,0,0,1|1,0,0]=3 6388 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,1,0,0,0,1|2,0,0]=4 6389 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,1,0,0,0,1|1,0,0]=3 6390 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,1,0,0,0,1|2,0,0]=4 6391 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,1,0,0,0,1|1,0,0]=3 6392 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,1,0,0,0,1|1,0,0]=3 6393 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,1,0,0,0,1|1,0,0]=3 6394 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,1,0,0,0,1|2,0,0]=4 6395 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,1,0,0,0,1|2,0,0]=4 6396 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,1,0,0,0,1|2,0,0]=4 6397 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,1,0,0,0,1|2,0,0]=4 6398 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,1,0,0,0,1|1,0,0]=3 6399 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,1,0,0,0,1|1,0,0]=3 6400 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,1,0,0,0,1|1,0,0]=3 6401 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,1,0,0,0,1|1,0,0]=3 6402 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,1,0,0,0,1|2,0,0]=4 6403 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,1,0,0,0,1|2,0,0]=4 6404 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,1,0,0,0,1|2,0,0]=4 6405 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,1,0,0,0,1|2,0,0]=4 6406 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,1,0,0,0,1|1,0,0]=3 6407 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,1,0,0,0,1|1,0,0]=3 6408 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,1,0,0,0,1|1,0,0]=3 6409 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,1,0,0,0,1|1,0,0]=3 6410 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,1,0,0,0,1|1,0,0]=3 6411 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,1,0,0,0,1|1,0,0]=3 6412 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,1,0,0,0,1|2,0,0]=4 6413 B11R0.174 CCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100000034017 [0,1,0,0,0,1|2,0,0]=4 6414 B11R0.174 CCCC(=O)OCOC(C)CF 34a_100016041109_100000034017 [0,1,0,0,0,1|2,0,0]=4 6415 B11R0.174 CCCC(=O)OCOC(C)CN 34a_100000210904_100000034017 [0,1,0,0,0,1|2,0,0]=4 6416 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,1,0,0,0,1|2,0,0]=4 6417 B11R0.174 CCCC(=O)OCSC(C)CO 62a_100012180447_100000034017 [0,1,0,0,0,1|2,0,0]=4 6418 B11R0.174 CCCC(=O)OCSC(C)OC 62a_100009879195_100000034017 [0,1,0,0,0,1|2,0,0]=4 6419 B11R0.174 CCCC(=O)OCS[C@H](C)CO 62a_100016084084_100000034017 [0,1,0,0,0,1|2,0,0]=4 6420 B11R0.174 CCNC(=O)CCNC(C)C#N 2230a_100000737613_100000737597 [0,1,0,0,0,1|1,0,1]=4 6421 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,1,0,0,0,1|1,0,0]=3 6422 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,1,0,0,0,1|1,0,0]=3 6423 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,1,0,0,0,1|1,0,0]=3 6424 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,1,0,0,0,1|1,0,0]=3 6425 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,1,0,0,0,1|1,0,0]=3 6426 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [0,1,0,0,0,1|1,0,0]=3 6427 B11R0.174 CCNC(=O)CCSC(C)C#N 62a_100000703298_100000737597 [0,1,0,0,0,1|1,0,1]=4 6428 B11R0.174 CCNC(=O)CCSC(C)C#N 62a_100000737597_100000703298 [0,1,0,0,0,1|1,0,1]=4 6429 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,1,0,0,0,1|1,0,0]=3 6430 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,1,0,0,0,1|1,0,0]=3 6431 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,1,0,0,0,1|1,0,0]=3 6432 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100000737597_100009879195 [0,1,0,0,0,1|1,0,0]=3 6433 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100009879195_100000737597 [0,1,0,0,0,1|1,0,0]=3 6434 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,1,0,0,0,1|1,0,0]=3 6435 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,1,0,0,0,1|1,0,0]=3 6436 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,1,0,0,0,1|1,0,0]=3 6437 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,1,0,0,0,1|1,0,0]=3 6438 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,1,0,0,0,1|1,0,0]=3 6439 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,1,0,0,0,1|1,0,0]=3 6440 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [0,1,0,0,0,1|2,0,0]=4 6441 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [0,1,0,0,0,1|2,0,0]=4 6442 B11R0.174 CCNC(=O)CNCC(O)CO 2230a_100016988866_100011219619 [0,1,0,0,0,1|2,0,0]=4 6443 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,1,0,0,0,1|1,0,0]=3 6444 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,1,0,0,0,1|1,0,0]=3 6445 B11R0.174 CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183381 [0,1,0,0,0,1|1,0,0]=3 6446 B11R0.174 CCNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183381 [0,1,0,0,0,1|2,0,0]=4 6447 B11R0.174 CCNC(=O)CNC[C@@H](O)CF 2230a_100016988866_100015614560 [0,1,0,0,0,1|2,0,0]=4 6448 B11R0.174 CCNC(=O)CNC[C@@H](O)CO 2230a_100016988866_100009815848 [0,1,0,0,0,1|2,0,0]=4 6449 B11R0.174 CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183381 [0,1,0,0,0,1|2,0,0]=4 6450 B11R0.174 CCNC(=O)COCC(C)CN 34a_100000744482_100000183381 [0,1,0,0,0,1|1,0,0]=3 6451 B11R0.174 CCNC(=O)COCC(C)OC 34a_100000690652_100000183381 [0,1,0,0,0,1|1,0,0]=3 6452 B11R0.174 CCNC(=O)COCC(Cl)CCl 34a_100000033668_100000183381 [0,1,0,0,0,1|2,0,0]=4 6453 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,1,0,0,0,1|1,0,0]=3 6454 B11R0.174 CCNC(=O)COC[C@H](F)CN 34a_100015665980_100000183381 [0,1,0,0,0,1|2,0,0]=4 6455 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,1,0,0,0,1|1,0,0]=3 6456 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,1,0,0,0,1|1,0,0]=3 6457 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [0,1,0,0,0,1|2,0,0]=4 6458 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [0,1,0,0,0,1|2,0,0]=4 6459 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100000183381_100011219619 [0,1,0,0,0,1|2,0,0]=4 6460 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100011219619_100000183381 [0,1,0,0,0,1|2,0,0]=4 6461 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,1,0,0,0,1|1,0,0]=3 6462 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,1,0,0,0,1|1,0,0]=3 6463 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,1,0,0,0,1|1,0,0]=3 6464 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,1,0,0,0,1|1,0,0]=3 6465 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100000183381_100015614560 [0,1,0,0,0,1|2,0,0]=4 6466 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183381 [0,1,0,0,0,1|2,0,0]=4 6467 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100000183381_100009815848 [0,1,0,0,0,1|2,0,0]=4 6468 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183381 [0,1,0,0,0,1|2,0,0]=4 6469 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,1,0,0,0,1|1,0,0]=3 6470 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,1,0,0,0,1|1,0,0]=3 6471 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,1,0,0,0,1|1,0,0]=3 6472 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,1,0,0,0,1|1,0,0]=3 6473 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,1,0,0,0,1|1,0,0]=3 6474 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,1,0,0,0,1|1,0,0]=3 6475 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,1,0,0,0,1|1,0,0]=3 6476 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,1,0,0,0,1|1,0,0]=3 6477 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,1,0,0,0,1|1,0,0]=3 6478 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,1,0,0,0,1|1,0,0]=3 6479 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,1,0,0,0,1|1,0,0]=3 6480 B11R0.174 CCOC(=O)/C=C/CN(C)CC 2230a_100000225621_100016267167 [0,1,0,0,0,1|1,0,1]=4 6481 B11R0.174 CCOC(=O)/C=C/CN(C)CC 269982a_100000225621_100016267167 [0,1,0,0,0,1|1,0,1]=4 6482 B11R0.174 CCOC(=O)C=NNC(C)CC 4a_100000718999_100000742314 [0,1,0,0,0,1|1,0,1]=4 6483 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,1|1,0,1]=4 6484 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,1|1,0,1]=4 6485 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,1,0,0,0,1|1,0,1]=4 6486 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,1|1,0,1]=4 6487 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,1|1,0,1]=4 6488 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,1|1,0,1]=4 6489 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,1|1,0,1]=4 6490 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,1|1,0,1]=4 6491 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,1,0,0,0,1|1,0,0]=3 6492 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,1,0,0,0,1|1,0,0]=3 6493 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,1,0,0,0,1|1,0,1]=4 6494 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,1,0,0,0,1|1,0,1]=4 6495 B11R0.174 CCOC(=O)CCNC(C)C#N 2230a_100000737613_100011206558 [0,1,0,0,0,1|0,0,1]=3 6496 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,1,0,0,0,1|0,0,0]=2 6497 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,1,0,0,0,1|0,0,0]=2 6498 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [0,1,0,0,0,1|0,0,1]=3 6499 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,1,0,0,0,1|0,0,0]=2 6500 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,1,0,0,0,1|0,0,0]=2 6501 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,1,0,0,0,1|0,0,0]=2 6502 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,1,0,0,0,1|0,0,0]=2 6503 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000703298_100000765890 [0,1,0,0,0,1|0,0,1]=3 6504 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000765890_100000703298 [0,1,0,0,0,1|0,0,1]=3 6505 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,1,0,0,0,1|0,0,0]=2 6506 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,1,0,0,0,1|0,0,0]=2 6507 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,1,0,0,0,1|0,0,0]=2 6508 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,1,0,0,0,1|0,0,0]=2 6509 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,1,0,0,0,1|0,0,0]=2 6510 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_100000765890_200000117898 [0,1,0,0,0,1|1,0,1]=4 6511 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_200000117898_100000765890 [0,1,0,0,0,1|1,0,1]=4 6512 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,1,0,0,0,1|0,0,0]=2 6513 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,1,0,0,0,1|0,0,0]=2 6514 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,1,0,0,0,1|1,0,1]=4 6515 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,1,0,0,0,1|0,0,0]=2 6516 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,1,0,0,0,1|0,0,0]=2 6517 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,1,0,0,0,1|1,0,0]=3 6518 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,1,0,0,0,1|0,0,0]=2 6519 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,1,0,0,0,1|1,0,0]=3 6520 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,1,0,0,0,1|1,0,0]=3 6521 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,1,0,0,0,1|1,0,1]=4 6522 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,1,0,0,0,1|1,0,1]=4 6523 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,1,0,0,0,1|0,0,0]=2 6524 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,1,0,0,0,1|0,0,0]=2 6525 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,1,0,0,0,1|1,0,0]=3 6526 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,1,0,0,0,1|0,0,0]=2 6527 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,1,0,0,0,1|1,0,0]=3 6528 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,1,0,0,0,1|1,0,1]=4 6529 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,1,0,0,0,1|1,0,1]=4 6530 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,1,0,0,0,1|1,0,1]=4 6531 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,1,0,0,0,1|1,0,1]=4 6532 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,1,0,0,0,1|1,0,1]=4 6533 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,1,0,0,0,1|1,0,1]=4 6534 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,1,0,0,0,1|0,0,0]=2 6535 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,1,0,0,0,1|0,0,0]=2 6536 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,1,0,0,0,1|1,0,0]=3 6537 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,1,0,0,0,1|1,0,0]=3 6538 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,1,0,0,0,1|1,0,0]=3 6539 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,1,0,0,0,1|1,0,0]=3 6540 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,1,0,0,0,1|0,0,0]=2 6541 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,1,0,0,0,1|0,0,0]=2 6542 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,1,0,0,0,1|0,0,0]=2 6543 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,1,0,0,0,1|0,0,0]=2 6544 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,1,0,0,0,1|1,0,0]=3 6545 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,1,0,0,0,1|1,0,0]=3 6546 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,1,0,0,0,1|1,0,0]=3 6547 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,1,0,0,0,1|1,0,0]=3 6548 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,1,0,0,0,1|1,0,1]=4 6549 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,1,0,0,0,1|1,0,1]=4 6550 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,1,0,0,0,1|1,0,0]=3 6551 B11R0.174 CCOC(=O)OCSC(C)C#N 62a_100000703298_100000075025 [0,1,0,0,0,1|1,0,1]=4 6552 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,1,0,0,0,1|1,0,0]=3 6553 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [0,1,0,0,0,1|1,0,0]=3 6554 B11R0.174 CCOC(=O)OCSC(C)OC 62a_100009879195_100000075025 [0,1,0,0,0,1|1,0,0]=3 6555 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [0,1,0,0,0,1|1,0,0]=3 6556 B11R0.174 CC[C@H](C)COCC(=O)NCO 7a_100009816381_100000185155 [0,1,0,0,0,1|2,0,0]=4 6557 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100000185155_100009816398 [0,1,0,0,0,1|2,0,0]=4 6558 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100009816398_100000185155 [0,1,0,0,0,1|2,0,0]=4 6559 B11R0.174 CNNC(=O)NCCC(C)CO 273464a_106354213184_100016993582 [0,1,0,0,0,1|2,0,0]=4 6560 B11R0.174 CNNC(=O)NCCC(C)CO 512a_100016993582_106354213184 [0,1,0,0,0,1|2,0,0]=4 6561 B11R0.174 CNNC(=O)NCCC(C)CO 512a_106354213184_100016993582 [0,1,0,0,0,1|2,0,0]=4 6562 B11R0.174 COC(C)COCC(=O)NCO 34a_100000690652_100000185155 [0,1,0,0,0,1|2,0,0]=4 6563 B11R0.174 COCC(=O)NCCC(C)CO 240690a_106354213184_100000210968 [0,1,0,0,0,1|2,0,0]=4 6564 B11R0.174 COCC(=O)NCCC(C)CO 527a_106354213184_100000210968 [0,1,0,0,0,1|2,0,0]=4 6565 B11R0.174 CO[C@H](C)CNCC(=O)NCO 2230a_100020591295_100000185155 [0,1,0,0,0,1|2,0,0]=4 6566 B11R0.174 CSCC(=O)NCCC(C)CO 240690a_106354213184_100000184570 [0,1,0,0,0,1|2,0,0]=4 6567 B11R0.174 CSCC(=O)NCCC(C)CO 527a_106354213184_100000184570 [0,1,0,0,0,1|2,0,0]=4 6568 B11R0.174 C[C@@H](CO)CSCC(=O)NCO 62a_100000059175_100000185155 [0,1,0,0,0,1|2,0,0]=4 6569 B11R0.174 C[C@@H](CO)CSCC(=O)NCO 62a_100000185155_100000059175 [0,1,0,0,0,1|2,0,0]=4 6570 B11R0.180 C=COC(=O)CNCC(C)(C)C 2230a_100000743828_100000036128 [0,1,0,0,0,1|0,0,2]=4 6571 B11R0.180 C=COC(=O)CNCC(C)(C)F 2230a_100020643315_100000036128 [0,1,0,0,0,1|0,0,2]=4 6572 B11R0.180 C=COC(=O)CNCC(C)(C)O 2230a_100000751335_100000036128 [0,1,0,0,0,1|0,0,2]=4 6573 B11R0.180 C=COC(=O)COCC(C)(C)F 34a_100000716592_100000036128 [0,1,0,0,0,1|0,0,2]=4 6574 B11R0.180 C=COC(=O)CSCC(C)(C)C 62a_100000036128_100011219605 [0,1,0,0,0,1|0,0,2]=4 6575 B11R0.180 C=COC(=O)CSCC(C)(C)C 62a_100011219605_100000036128 [0,1,0,0,0,1|0,0,2]=4 6576 B11R0.180 C=COC(=O)CSCC(C)(C)F 62a_100000036128_100011997219 [0,1,0,0,0,1|0,0,2]=4 6577 B11R0.180 C=COC(=O)CSCC(C)(C)F 62a_100011997219_100000036128 [0,1,0,0,0,1|0,0,2]=4 6578 B11R0.180 C=COC(=O)CSCC(C)(C)O 62a_100000036128_100000764493 [0,1,0,0,0,1|0,0,2]=4 6579 B11R0.180 C=COC(=O)CSCC(C)(C)O 62a_100000764493_100000036128 [0,1,0,0,0,1|0,0,2]=4 6580 B11R0.180 CC(C)(C)CCNC(=O)CCO 240690a_100000738805_100011216618 [0,1,0,0,0,1|2,0,0]=4 6581 B11R0.180 CC(C)(C)CNCC(=O)NCO 2230a_100000743828_100000185155 [0,1,0,0,0,1|2,0,0]=4 6582 B11R0.180 CC(C)(C)CSCC(=O)NCO 62a_100000185155_100011219605 [0,1,0,0,0,1|2,0,0]=4 6583 B11R0.180 CC(C)(C)CSCC(=O)NCO 62a_100011219605_100000185155 [0,1,0,0,0,1|2,0,0]=4 6584 B11R0.180 CC(C)(F)CCNC(=O)CCO 240690a_100016253952_100011216618 [0,1,0,0,0,1|2,0,0]=4 6585 B11R0.180 CC(C)(F)CNCC(=O)NCO 2230a_100020643315_100000185155 [0,1,0,0,0,1|2,0,0]=4 6586 B11R0.180 CC(C)(F)COCC(=O)NCO 34a_100000716592_100000185155 [0,1,0,0,0,1|2,0,0]=4 6587 B11R0.180 CC(C)(F)CSCC(=O)NCO 62a_100000185155_100011997219 [0,1,0,0,0,1|2,0,0]=4 6588 B11R0.180 CC(C)(F)CSCC(=O)NCO 62a_100011997219_100000185155 [0,1,0,0,0,1|2,0,0]=4 6589 B11R0.180 CC(C)(O)CNCC(=O)NCO 2230a_100000751335_100000185155 [0,1,0,0,0,1|2,0,0]=4 6590 B11R0.180 CC(C)(O)CSCC(=O)NCO 62a_100000185155_100000764493 [0,1,0,0,0,1|2,0,0]=4 6591 B11R0.180 CC(C)(O)CSCC(=O)NCO 62a_100000764493_100000185155 [0,1,0,0,0,1|2,0,0]=4 6592 B11R0.180 CC=CC(=O)NCCC(C)(C)C 11a_100000738805_100000210699 [0,1,0,0,0,1|1,0,1]=4 6593 B11R0.180 CC=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000210699 [0,1,0,0,0,1|1,0,1]=4 6594 B11R0.180 CC=CC(=O)NCCC(C)(C)C 240690a_100000738805_100000210699 [0,1,0,0,0,1|1,0,1]=4 6595 B11R0.180 CC=CC(=O)NCCC(C)(C)F 11a_100016253952_100000210699 [0,1,0,0,0,1|1,0,1]=4 6596 B11R0.180 CC=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000210699 [0,1,0,0,0,1|1,0,1]=4 6597 B11R0.180 CC=CC(=O)NCCC(C)(C)F 240690a_100016253952_100000210699 [0,1,0,0,0,1|1,0,1]=4 6598 B11R0.180 CC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210699 [0,1,0,0,0,1|1,0,1]=4 6599 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210303 [0,1,0,0,0,1|2,0,0]=4 6600 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000211992_100016990835 [0,1,0,0,0,1|2,0,0]=4 6601 B11R0.180 CCCC(=O)CCC[Si](C)(C)C 1458a_100000211992_100011219597 [0,1,0,0,0,1|1,1,0]=4 6602 B11R0.180 CCCC(=O)CCO[Si](C)(C)C 1458a_100000211992_200000032530 [0,1,0,0,0,1|1,1,0]=4 6603 B11R0.180 CCCC(=O)CNCC(C)(C)C 2230a_100000743828_100000747444 [0,1,0,0,0,1|1,0,0]=3 6604 B11R0.180 CCCC(=O)CNCC(C)(C)F 2230a_100020643315_100000747444 [0,1,0,0,0,1|1,0,0]=3 6605 B11R0.180 CCCC(=O)CNCC(C)(C)O 2230a_100000751335_100000747444 [0,1,0,0,0,1|1,0,0]=3 6606 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100000747444_100011219605 [0,1,0,0,0,1|1,0,0]=3 6607 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100011219605_100000747444 [0,1,0,0,0,1|1,0,0]=3 6608 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100000747444_100011997219 [0,1,0,0,0,1|1,0,0]=3 6609 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100011997219_100000747444 [0,1,0,0,0,1|1,0,0]=3 6610 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000747444_100000764493 [0,1,0,0,0,1|1,0,0]=3 6611 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000764493_100000747444 [0,1,0,0,0,1|1,0,0]=3 6612 B11R0.180 CCCC(=O)CSC[N+](C)(C)C 62a_100000747444_200000036245 [0,1,0,0,0,1|2,0,0]=4 6613 B11R0.180 CCCC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747444 [0,1,0,0,0,1|2,0,0]=4 6614 B11R0.180 CCCC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747444 [0,1,0,0,0,1|1,1,0]=4 6615 B11R0.180 CCCC(=O)CSC[Si](C)(C)C 62a_100000747444_100000037933 [0,1,0,0,0,1|1,1,0]=4 6616 B11R0.180 CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000211992 [0,1,0,0,0,1|1,0,0]=3 6617 B11R0.180 CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000211992 [0,1,0,0,0,1|1,0,0]=3 6618 B11R0.180 CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000211992 [0,1,0,0,0,1|1,0,0]=3 6619 B11R0.180 CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000211992 [0,1,0,0,0,1|1,0,0]=3 6620 B11R0.180 CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000211992 [0,1,0,0,0,1|1,0,0]=3 6621 B11R0.180 CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000211992 [0,1,0,0,0,1|1,0,0]=3 6622 B11R0.180 CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000211992 [0,1,0,0,0,1|1,0,0]=3 6623 B11R0.180 CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000211992 [0,1,0,0,0,1|1,0,0]=3 6624 B11R0.180 CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211992 [0,1,0,0,0,1|1,0,0]=3 6625 B11R0.180 CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211992 [0,1,0,0,0,1|1,0,0]=3 6626 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000211992 [0,1,0,0,0,1|2,0,0]=4 6627 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000211992 [0,1,0,0,0,1|2,0,0]=4 6628 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000211992 [0,1,0,0,0,1|2,0,0]=4 6629 B11R0.180 CCCC(=O)OCNC(C)(C)C 2230a_100000715429_100000034017 [0,1,0,0,0,1|2,0,0]=4 6630 B11R0.180 CCCC(=O)OCOC(C)(C)C 34a_100015890283_100000034017 [0,1,0,0,0,1|2,0,0]=4 6631 B11R0.180 CCCC(=O)OCSC(C)(C)C 62a_100000211941_100000034017 [0,1,0,0,0,1|2,0,0]=4 6632 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 11a_100015525214_100000085584 [0,1,0,0,0,1|2,0,0]=4 6633 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 240690a_100015525214_100000085584 [0,1,0,0,0,1|2,0,0]=4 6634 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 527a_100015525214_100000085584 [0,1,0,0,0,1|2,0,0]=4 6635 B11R0.180 CCNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737597 [0,1,0,0,0,1|1,0,0]=3 6636 B11R0.180 CCNC(=O)CCNC(C)(C)C 34a_100025743525_100000210625 [0,1,0,0,0,1|1,0,0]=3 6637 B11R0.180 CCNC(=O)CCOC(C)(C)C 7a_100015890283_100000737597 [0,1,0,0,0,1|1,0,0]=3 6638 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000211941_100000737597 [0,1,0,0,0,1|1,0,0]=3 6639 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000737597_100000211941 [0,1,0,0,0,1|1,0,0]=3 6640 B11R0.180 CCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183381 [0,1,0,0,0,1|1,0,0]=3 6641 B11R0.180 CCNC(=O)CNCC(C)(C)C 270004a_100016988866_100011204126 [0,1,0,0,0,1|1,0,0]=3 6642 B11R0.180 CCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183381 [0,1,0,0,0,1|1,0,0]=3 6643 B11R0.180 CCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183381 [0,1,0,0,0,1|1,0,0]=3 6644 B11R0.180 CCNC(=O)CNC[Si](C)(C)C 2230a_100016988866_100000037933 [0,1,0,0,0,1|1,1,0]=4 6645 B11R0.180 CCNC(=O)COCC(C)(C)F 34a_100000716592_100000183381 [0,1,0,0,0,1|1,0,0]=3 6646 B11R0.180 CCNC(=O)COCC(C)(F)F 34a_100000068830_100000183381 [0,1,0,0,0,1|2,0,0]=4 6647 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100000183381_100011219605 [0,1,0,0,0,1|1,0,0]=3 6648 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100011219605_100000183381 [0,1,0,0,0,1|1,0,0]=3 6649 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100000183381_100011997219 [0,1,0,0,0,1|1,0,0]=3 6650 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100011997219_100000183381 [0,1,0,0,0,1|1,0,0]=3 6651 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000183381_100000764493 [0,1,0,0,0,1|1,0,0]=3 6652 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000764493_100000183381 [0,1,0,0,0,1|1,0,0]=3 6653 B11R0.180 CCNC(=O)CSC[N+](C)(C)C 62a_100000183381_200000036245 [0,1,0,0,0,1|2,0,0]=4 6654 B11R0.180 CCNC(=O)CSC[N+](C)(C)C 62a_200000036245_100000183381 [0,1,0,0,0,1|2,0,0]=4 6655 B11R0.180 CCNC(=O)CSC[Si](C)(C)C 62a_100000037933_100000183381 [0,1,0,0,0,1|1,1,0]=4 6656 B11R0.180 CCNC(=O)CSC[Si](C)(C)C 62a_100000183381_100000037933 [0,1,0,0,0,1|1,1,0]=4 6657 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100000738805_100015525214 [0,1,0,0,0,1|1,0,0]=3 6658 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100015525214_100000738805 [0,1,0,0,0,1|1,0,0]=3 6659 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100000738805_100015525214 [0,1,0,0,0,1|1,0,0]=3 6660 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100015525214_100000738805 [0,1,0,0,0,1|1,0,0]=3 6661 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100000738805_100015525214 [0,1,0,0,0,1|1,0,0]=3 6662 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100015525214_100000738805 [0,1,0,0,0,1|1,0,0]=3 6663 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100015525214_100016253952 [0,1,0,0,0,1|1,0,0]=3 6664 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100016253952_100015525214 [0,1,0,0,0,1|1,0,0]=3 6665 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100015525214_100016253952 [0,1,0,0,0,1|1,0,0]=3 6666 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100016253952_100015525214 [0,1,0,0,0,1|1,0,0]=3 6667 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100015525214_100016253952 [0,1,0,0,0,1|1,0,0]=3 6668 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100016253952_100015525214 [0,1,0,0,0,1|1,0,0]=3 6669 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100000707701_100015525214 [0,1,0,0,0,1|1,0,0]=3 6670 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100015525214_100000707701 [0,1,0,0,0,1|1,0,0]=3 6671 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100000707701_100015525214 [0,1,0,0,0,1|1,0,0]=3 6672 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100015525214_100000707701 [0,1,0,0,0,1|1,0,0]=3 6673 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100000707701_100015525214 [0,1,0,0,0,1|1,0,0]=3 6674 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100015525214_100000707701 [0,1,0,0,0,1|1,0,0]=3 6675 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 2708a_100015525214_100000106457 [0,1,0,0,0,1|2,0,0]=4 6676 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100015525214 [0,1,0,0,0,1|2,0,0]=4 6677 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 273464a_100015525214_100000106457 [0,1,0,0,0,1|2,0,0]=4 6678 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 512a_100000106457_100015525214 [0,1,0,0,0,1|2,0,0]=4 6679 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 512a_100015525214_100000106457 [0,1,0,0,0,1|2,0,0]=4 6680 B11R0.180 CCOC(=O)C=NNC(C)(C)C 4a_100000725372_100000742314 [0,1,0,0,0,1|1,0,1]=4 6681 B11R0.180 CCOC(=O)CCNC(C)(C)C 2230a_100000715429_100011206558 [0,1,0,0,0,1|0,0,0]=2 6682 B11R0.180 CCOC(=O)CCOC(C)(C)C 34a_100015890283_100000765890 [0,1,0,0,0,1|0,0,0]=2 6683 B11R0.180 CCOC(=O)CCOC(C)(C)C 7a_100015890283_100011206558 [0,1,0,0,0,1|0,0,0]=2 6684 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000211941_100000765890 [0,1,0,0,0,1|0,0,0]=2 6685 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000765890_100000211941 [0,1,0,0,0,1|0,0,0]=2 6686 B11R0.180 CCOC(=O)CCSC(F)(F)F 62a_100000765890_200103152311 [0,1,0,0,0,1|2,0,0]=4 6687 B11R0.180 CCOC(=O)CCSC(F)(F)F 62a_200000243211_100000765890 [0,1,0,0,0,1|2,0,0]=4 6688 B11R0.180 CCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000188475 [0,1,0,0,0,1|0,0,0]=2 6689 B11R0.180 CCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000188475 [0,1,0,0,0,1|0,0,0]=2 6690 B11R0.180 CCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000188475 [0,1,0,0,0,1|0,0,0]=2 6691 B11R0.180 CCOC(=O)CNCC(F)(F)F 34a_100000717047_100000188475 [0,1,0,0,0,1|2,0,0]=4 6692 B11R0.180 CCOC(=O)COCC(C)(C)F 34a_100000716592_100000188475 [0,1,0,0,0,1|0,0,0]=2 6693 B11R0.180 CCOC(=O)COCC(C)(F)F 34a_100000068830_100000188475 [0,1,0,0,0,1|1,0,0]=3 6694 B11R0.180 CCOC(=O)COCC(F)(F)Br 34a_100011217949_100000188475 [0,1,0,0,0,1|2,0,0]=4 6695 B11R0.180 CCOC(=O)COCC(F)(F)Cl 34a_100000734434_100000188475 [0,1,0,0,0,1|2,0,0]=4 6696 B11R0.180 CCOC(=O)COCC(F)(F)F 34a_100000210435_100000188475 [0,1,0,0,0,1|2,0,0]=4 6697 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100000188475_100011219605 [0,1,0,0,0,1|0,0,0]=2 6698 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100011219605_100000188475 [0,1,0,0,0,1|0,0,0]=2 6699 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100000188475_100011997219 [0,1,0,0,0,1|0,0,0]=2 6700 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100011997219_100000188475 [0,1,0,0,0,1|0,0,0]=2 6701 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000188475_100000764493 [0,1,0,0,0,1|0,0,0]=2 6702 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000764493_100000188475 [0,1,0,0,0,1|0,0,0]=2 6703 B11R0.180 CCOC(=O)CSCC(F)(F)F 62a_100000188475_100000763148 [0,1,0,0,0,1|2,0,0]=4 6704 B11R0.180 CCOC(=O)CSCC(F)(F)F 62a_100000763148_100000188475 [0,1,0,0,0,1|2,0,0]=4 6705 B11R0.180 CCOC(=O)CSC[N+](C)(C)C 62a_100000188475_200000036245 [0,1,0,0,0,1|1,0,0]=3 6706 B11R0.180 CCOC(=O)CSC[N+](C)(C)C 62a_200000036245_100000188475 [0,1,0,0,0,1|1,0,0]=3 6707 B11R0.180 CCOC(=O)CSC[Si](C)(C)C 62a_100000037933_100000188475 [0,1,0,0,0,1|0,1,0]=3 6708 B11R0.180 CCOC(=O)CSC[Si](C)(C)C 62a_100000188475_100000037933 [0,1,0,0,0,1|0,1,0]=3 6709 B11R0.180 CCOC(=O)OCSC(C)(C)C 62a_100000211941_100000075025 [0,1,0,0,0,1|1,0,0]=3 6710 B11R0.180 CNNC(=O)NCCC(C)(C)C 273464a_100000738805_100016993582 [0,1,0,0,0,1|2,0,0]=4 6711 B11R0.180 CNNC(=O)NCCC(C)(C)C 512a_100000738805_100016993582 [0,1,0,0,0,1|2,0,0]=4 6712 B11R0.180 CNNC(=O)NCCC(C)(C)C 512a_100016993582_100000738805 [0,1,0,0,0,1|2,0,0]=4 6713 B11R0.180 CNNC(=O)NCCC(C)(C)F 273464a_100016253952_100016993582 [0,1,0,0,0,1|2,0,0]=4 6714 B11R0.180 CNNC(=O)NCCC(C)(C)F 512a_100016253952_100016993582 [0,1,0,0,0,1|2,0,0]=4 6715 B11R0.180 CNNC(=O)NCCC(C)(C)F 512a_100016993582_100016253952 [0,1,0,0,0,1|2,0,0]=4 6716 B11R0.180 CNNC(=O)NCCC(C)(C)O 273464a_100000707701_100016993582 [0,1,0,0,0,1|2,0,0]=4 6717 B11R0.180 CNNC(=O)NCCC(C)(C)O 512a_100000707701_100016993582 [0,1,0,0,0,1|2,0,0]=4 6718 B11R0.180 CNNC(=O)NCCC(C)(C)O 512a_100016993582_100000707701 [0,1,0,0,0,1|2,0,0]=4 6719 B11R0.180 COCC(=O)NCCC(C)(C)C 11a_100000738805_100000210968 [0,1,0,0,0,1|2,0,0]=4 6720 B11R0.180 COCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210968 [0,1,0,0,0,1|2,0,0]=4 6721 B11R0.180 COCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210968 [0,1,0,0,0,1|2,0,0]=4 6722 B11R0.180 COCC(=O)NCCC(C)(C)C 527a_100000738805_100000210968 [0,1,0,0,0,1|2,0,0]=4 6723 B11R0.180 COCC(=O)NCCC(C)(C)F 11a_100016253952_100000210968 [0,1,0,0,0,1|2,0,0]=4 6724 B11R0.180 COCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210968 [0,1,0,0,0,1|2,0,0]=4 6725 B11R0.180 COCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210968 [0,1,0,0,0,1|2,0,0]=4 6726 B11R0.180 COCC(=O)NCCC(C)(C)F 527a_100016253952_100000210968 [0,1,0,0,0,1|2,0,0]=4 6727 B11R0.180 COCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210968 [0,1,0,0,0,1|2,0,0]=4 6728 B11R0.180 COCC(=O)NCCC(C)(C)O 527a_100000707701_100000210968 [0,1,0,0,0,1|2,0,0]=4 6729 B11R0.180 CSCC(=O)NCCC(C)(C)C 11a_100000738805_100000184570 [0,1,0,0,0,1|2,0,0]=4 6730 B11R0.180 CSCC(=O)NCCC(C)(C)C 1626a_100000738805_100000184570 [0,1,0,0,0,1|2,0,0]=4 6731 B11R0.180 CSCC(=O)NCCC(C)(C)C 240690a_100000738805_100000184570 [0,1,0,0,0,1|2,0,0]=4 6732 B11R0.180 CSCC(=O)NCCC(C)(C)C 527a_100000738805_100000184570 [0,1,0,0,0,1|2,0,0]=4 6733 B11R0.180 CSCC(=O)NCCC(C)(C)F 11a_100016253952_100000184570 [0,1,0,0,0,1|2,0,0]=4 6734 B11R0.180 CSCC(=O)NCCC(C)(C)F 1626a_100016253952_100000184570 [0,1,0,0,0,1|2,0,0]=4 6735 B11R0.180 CSCC(=O)NCCC(C)(C)F 240690a_100016253952_100000184570 [0,1,0,0,0,1|2,0,0]=4 6736 B11R0.180 CSCC(=O)NCCC(C)(C)F 527a_100016253952_100000184570 [0,1,0,0,0,1|2,0,0]=4 6737 B11R0.180 CSCC(=O)NCCC(C)(C)O 1626a_100000707701_100000184570 [0,1,0,0,0,1|2,0,0]=4 6738 B11R0.180 CSCC(=O)NCCC(C)(C)O 527a_100000707701_100000184570 [0,1,0,0,0,1|2,0,0]=4 6739 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 11a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6740 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 1626a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6741 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 240690a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6742 B11R0.10 CCCC(=O)NC(C)(C)C(C)C 527a_200160471154_100000211992 [0,2,0,0,0,0|2,0,0]=4 6743 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 2708a_100015525214_200160471154 [0,2,0,0,0,0|2,0,0]=4 6744 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 273464a_100015525214_200160471154 [0,2,0,0,0,0|2,0,0]=4 6745 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_100015525214_200160471154 [0,2,0,0,0,0|2,0,0]=4 6746 B11R0.10 CCNC(=O)NC(C)(C)C(C)C 512a_200160471154_100015525214 [0,2,0,0,0,0|2,0,0]=4 6747 B11R0.10 CCOC(=O)CS(=O)(=O)N(C)C 270084a_100102631434_100000738689 [0,2,0,0,0,0|2,0,0]=4 6748 B11R0.10 CCOC(=O)CS(=O)(=O)N(C)C 274078a_100102631434_100000738689 [0,2,0,0,0,0|2,0,0]=4 6749 B11R0.33 CC(C)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000753385 [0,2,0,0,0,0|1,0,1]=4 6750 B11R0.33 CC(C)C(C)NC(=O)C[C@@H](C)O 240690a_100000211541_100011933948 [0,2,0,0,0,0|2,0,0]=4 6751 B11R0.33 CC(C)CC(=O)CC(=O)C(C)C 1458a_100000210554_100000753385 [0,2,0,0,0,0|1,0,1]=4 6752 B11R0.33 CC(C)CC(=O)CC(C)N(C)C 1458a_100011311895_100000210624 [0,2,0,0,0,0|2,0,0]=4 6753 B11R0.33 CC(C)CC(=O)CN(C)C(C)C 1458a_100000743827_100000210624 [0,2,0,0,0,0|2,0,0]=4 6754 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 11a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 6755 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 1626a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 6756 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 240690a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 6757 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 527a_100000211541_100000210554 [0,2,0,0,0,0|2,0,0]=4 6758 B11R0.33 CC(C)NC(=O)CC(=O)C(C)C 1458a_100000210198_100000183996 [0,2,0,0,0,0|1,0,1]=4 6759 B11R0.33 CC(C)NC(=O)CC(C)N(C)C 1626a_100138425928_100011311895 [0,2,0,0,0,0|2,0,0]=4 6760 B11R0.33 CC(C)NC(=O)CC(C)N(C)C 240690a_100138425928_100011311895 [0,2,0,0,0,0|2,0,0]=4 6761 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 11a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 6762 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 1626a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 6763 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 2230a_100000168146_100000210206 [0,2,0,0,0,0|2,0,0]=4 6764 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 240690a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 6765 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 269982a_100000168146_100000210206 [0,2,0,0,0,0|2,0,0]=4 6766 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 269982a_200000211004_100000183996 [0,2,0,0,0,0|2,0,0]=4 6767 B11R0.33 CC(C)NC(=O)CN(C)C(C)C 527a_100138425928_100000743827 [0,2,0,0,0,0|2,0,0]=4 6768 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100000211541_100138425928 [0,2,0,0,0,0|2,0,0]=4 6769 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 2708a_100138425928_100000211541 [0,2,0,0,0,0|2,0,0]=4 6770 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 273464a_100138425928_100000211541 [0,2,0,0,0,0|2,0,0]=4 6771 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100000211541_100138425928 [0,2,0,0,0,0|2,0,0]=4 6772 B11R0.33 CC(C)NC(=O)NC(C)C(C)C 512a_100138425928_100000211541 [0,2,0,0,0,0|2,0,0]=4 6773 B11R0.33 CC(C)OC(=O)CC(=O)C(C)C 1458a_100000210198_100011215430 [0,2,0,0,0,0|0,0,1]=3 6774 B11R0.33 CC(C)OC(=O)CC(=O)C(C)F 1458a_100000062450_100011215430 [0,2,0,0,0,0|1,0,1]=4 6775 B11R0.33 CC(C)OC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011215430 [0,2,0,0,0,0|1,0,1]=4 6776 B11R0.33 CC(C)OC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011215430 [0,2,0,0,0,0|1,0,1]=4 6777 B11R0.33 CC(C)OC(=O)CN(C)C(C)C 269982a_200000211004_100011215430 [0,2,0,0,0,0|1,0,0]=3 6778 B11R0.33 CC(C)OC(=O)OC(C)N(C)C 269982a_100102631434_100000067433 [0,2,0,0,0,0|2,0,0]=4 6779 B11R0.33 CC(O)CC(=O)CC(C)N(C)C 1458a_100011311895_100011218427 [0,2,0,0,0,0|2,0,0]=4 6780 B11R0.33 CC(O)CC(=O)CN(C)C(C)C 1458a_100000743827_100011218427 [0,2,0,0,0,0|2,0,0]=4 6781 B11R0.54 CCCC(=O)CC(=O)C(C)(C)C 1458a_100000211992_100000210923 [0,2,0,0,0,0|1,0,1]=4 6782 B11R0.54 CCCC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000747444 [0,2,0,0,0,0|1,0,1]=4 6783 B11R0.54 CCCC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000747444 [0,2,0,0,0,0|1,0,1]=4 6784 B11R0.54 CCCC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000747444 [0,2,0,0,0,0|1,0,1]=4 6785 B11R0.54 CCCC(=O)CN(C)C(C)(C)C 269982a_100011215553_100000747444 [0,2,0,0,0,0|2,0,0]=4 6786 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 6787 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 6788 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 6789 B11R0.54 CCCC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100000211992 [0,2,0,0,0,0|2,0,0]=4 6790 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 6791 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 6792 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 6793 B11R0.54 CCCC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100000211992 [0,2,0,0,0,0|2,0,0]=4 6794 B11R0.54 CCNC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000183381 [0,2,0,0,0,0|1,0,1]=4 6795 B11R0.54 CCNC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000183381 [0,2,0,0,0,0|1,0,1]=4 6796 B11R0.54 CCNC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000183381 [0,2,0,0,0,0|1,0,1]=4 6797 B11R0.54 CCNC(=O)CN(C)C(C)(C)C 269982a_100000741943_100000210625 [0,2,0,0,0,0|2,0,0]=4 6798 B11R0.54 CCNC(=O)CN(C)C(C)(C)C 269982a_100011215553_100000183381 [0,2,0,0,0,0|2,0,0]=4 6799 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 2708a_100015525214_100025708725 [0,2,0,0,0,0|2,0,0]=4 6800 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 273464a_100015525214_100025708725 [0,2,0,0,0,0|2,0,0]=4 6801 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 512a_100015525214_100025708725 [0,2,0,0,0,0|2,0,0]=4 6802 B11R0.54 CCNC(=O)N[C@@H](C)C(C)(C)O 512a_100025708725_100015525214 [0,2,0,0,0,0|2,0,0]=4 6803 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 2708a_100015525214_100025703359 [0,2,0,0,0,0|2,0,0]=4 6804 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 2708a_100025703359_100015525214 [0,2,0,0,0,0|2,0,0]=4 6805 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 273464a_100015525214_100025703359 [0,2,0,0,0,0|2,0,0]=4 6806 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 512a_100015525214_100025703359 [0,2,0,0,0,0|2,0,0]=4 6807 B11R0.54 CCNC(=O)N[C@H](C)C(C)(C)C 512a_100025703359_100015525214 [0,2,0,0,0,0|2,0,0]=4 6808 B11R0.54 CCOC(=O)CC(=O)C(C)(C)C 1458a_106744555173_100000188475 [0,2,0,0,0,0|0,0,1]=3 6809 B11R0.54 CCOC(=O)CC(=O)C(C)(C)F 1458a_100000765255_100000188475 [0,2,0,0,0,0|0,0,1]=3 6810 B11R0.54 CCOC(=O)CC(=O)C(C)(C)O 1458a_100000242741_100000188475 [0,2,0,0,0,0|0,0,1]=3 6811 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 2230a_100000745656_200000210301 [0,2,0,0,0,0|1,0,0]=3 6812 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 269982a_100000745656_200000210301 [0,2,0,0,0,0|1,0,0]=3 6813 B11R0.54 CCOC(=O)CN(C)C(C)(C)C 269982a_100011215553_100000188475 [0,2,0,0,0,0|1,0,0]=3 6814 B11R0.54 CCOC(=O)CN([13CH3])C(C)(C)C 2230a_100000745656_200025704644 [0,2,0,0,0,0|1,0,0]=3 6815 B11R0.54 CCOC(=O)CN([13CH3])C(C)(C)C 269982a_100000745656_200025704644 [0,2,0,0,0,0|1,0,0]=3 6816 B11R0.55 CCCC(=O)CN(CC)C(C)C 2230a_100000223864_100000747444 [0,2,0,0,0,0|2,0,0]=4 6817 B11R0.55 CCCC(=O)CN(CC)C(C)C 269982a_100000223864_100000747444 [0,2,0,0,0,0|2,0,0]=4 6818 B11R0.55 CCCC(=O)NC(CC)C(C)C 11a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 6819 B11R0.55 CCCC(=O)NC(CC)C(C)C 1626a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 6820 B11R0.55 CCCC(=O)NC(CC)C(C)C 240690a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 6821 B11R0.55 CCCC(=O)NC(CC)C(C)C 527a_100000745074_100000211992 [0,2,0,0,0,0|2,0,0]=4 6822 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100000211992 [0,2,0,0,0,0|2,0,0]=4 6823 B11R0.55 CCCC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100000211992 [0,2,0,0,0,0|2,0,0]=4 6824 B11R0.55 CCNC(=O)CN(CC)C(C)C 2230a_100000223864_100000183381 [0,2,0,0,0,0|2,0,0]=4 6825 B11R0.55 CCNC(=O)CN(CC)C(C)C 269982a_100000223864_100000183381 [0,2,0,0,0,0|2,0,0]=4 6826 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100000745074_100015525214 [0,2,0,0,0,0|2,0,0]=4 6827 B11R0.55 CCNC(=O)NC(CC)C(C)C 2708a_100015525214_100000745074 [0,2,0,0,0,0|2,0,0]=4 6828 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100000745074_100015525214 [0,2,0,0,0,0|2,0,0]=4 6829 B11R0.55 CCNC(=O)NC(CC)C(C)C 273464a_100015525214_100000745074 [0,2,0,0,0,0|2,0,0]=4 6830 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100000745074_100015525214 [0,2,0,0,0,0|2,0,0]=4 6831 B11R0.55 CCNC(=O)NC(CC)C(C)C 512a_100015525214_100000745074 [0,2,0,0,0,0|2,0,0]=4 6832 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 2708a_100015525214_100011830312 [0,2,0,0,0,0|2,0,0]=4 6833 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100011830312_100015525214 [0,2,0,0,0,0|2,0,0]=4 6834 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 273464a_100015525214_100011830312 [0,2,0,0,0,0|2,0,0]=4 6835 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100011830312_100015525214 [0,2,0,0,0,0|2,0,0]=4 6836 B11R0.55 CCNC(=O)N[C@@H](CO)C(C)C 512a_100015525214_100011830312 [0,2,0,0,0,0|2,0,0]=4 6837 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000220607_100000210206 [0,2,0,0,0,0|1,0,0]=3 6838 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000223864_100000188475 [0,2,0,0,0,0|1,0,0]=3 6839 B11R0.55 CCOC(=O)CN(CC)C(C)C 2230a_100000717205_100000210202 [0,2,0,0,0,0|1,0,0]=3 6840 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000220607_100000210206 [0,2,0,0,0,0|1,0,0]=3 6841 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000223864_100000188475 [0,2,0,0,0,0|1,0,0]=3 6842 B11R0.55 CCOC(=O)CN(CC)C(C)C 269982a_100000717205_100000204670 [0,2,0,0,0,0|1,0,0]=3 6843 B11R0.55 CCOC(=O)CN(CF)C(C)C 269982a_100000717205_100015361967 [0,2,0,0,0,0|1,0,0]=3 6844 B11R0.58 CCCC(=O)C(C)C(=O)C(C)C 1458a_100000211992_100009893295 [0,2,0,0,0,0|1,0,1]=4 6845 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 11a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6846 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 1626a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6847 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 240690a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6848 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 527a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 6849 B11R0.58 CCNC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000230173 [0,2,0,0,0,0|1,0,1]=4 6850 B11R0.58 CCNC(=O)C(C)N(C)C(C)C 269982a_200000211004_100000230173 [0,2,0,0,0,0|2,0,0]=4 6851 B11R0.58 CCNC(=O)N(C)C(C)C(C)C 2708a_100015525214_100000228512 [0,2,0,0,0,0|2,0,0]=4 6852 B11R0.58 CCNC(=O)N(C)C(C)C(C)C 273464a_100015525214_100000228512 [0,2,0,0,0,0|2,0,0]=4 6853 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 2230a_100102631434_100010256902 [0,2,0,0,0,0|1,0,1]=4 6854 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 269982a_100102631434_100010256902 [0,2,0,0,0,0|1,0,1]=4 6855 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 11a_200000211004_100014798877 [0,2,0,0,0,0|1,0,1]=4 6856 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 1626a_200000211004_100014798877 [0,2,0,0,0,0|1,0,1]=4 6857 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 240690a_200000211004_100014798877 [0,2,0,0,0,0|1,0,1]=4 6858 B11R0.58 CCOC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100011216346 [0,2,0,0,0,0|0,0,1]=3 6859 B11R0.58 CCOC(=O)C(C)C(=O)C(C)C 1458a_100132301724_100000210206 [0,2,0,0,0,0|0,0,1]=3 6860 B11R0.58 CCOC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100011216346 [0,2,0,0,0,0|1,0,1]=4 6861 B11R0.58 CCOC(=O)C(C)C(=O)N(C)C 11a_100102631434_100132301724 [0,2,0,0,0,0|1,0,1]=4 6862 B11R0.58 CCOC(=O)C(C)C(=O)N(C)C 1626a_100102631434_100132301724 [0,2,0,0,0,0|1,0,1]=4 6863 B11R0.58 CCOC(=O)C(C)C(=O)N(C)C 240690a_100102631434_100132301724 [0,2,0,0,0,0|1,0,1]=4 6864 B11R0.58 CCOC(=O)C(C)C(=O)N(C)C 527a_100102631434_100132301724 [0,2,0,0,0,0|1,0,1]=4 6865 B11R0.58 CCOC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100011216346 [0,2,0,0,0,0|1,0,1]=4 6866 B11R0.58 CCOC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100011216346 [0,2,0,0,0,0|1,0,1]=4 6867 B11R0.58 CCOC(=O)C(C)N(C)C(C)C 269982a_200000211004_100011216346 [0,2,0,0,0,0|1,0,0]=3 6868 B11R0.58 CCOC(=O)C(F)C(=O)C(C)C 1458a_100000210198_100000760018 [0,2,0,0,0,0|0,0,1]=3 6869 B11R0.58 CCOC(=O)C(F)C(=O)C(C)F 1458a_100000062450_100000760018 [0,2,0,0,0,0|1,0,1]=4 6870 B11R0.58 CCOC(=O)C(F)C(=O)[C@@H](C)O 1458a_100000717761_100000760018 [0,2,0,0,0,0|1,0,1]=4 6871 B11R0.58 CCOC(=O)C(F)C(=O)[C@H](C)O 1458a_217856618621_100000760018 [0,2,0,0,0,0|1,0,1]=4 6872 B11R0.58 CCOC(=O)C(F)N(C)C(C)C 269982a_200000211004_100000760018 [0,2,0,0,0,0|1,0,0]=3 6873 B11R0.117 CCC(C)C(=O)CC(=O)C(C)C 1458a_100011192722_100000753385 [0,2,0,0,0,0|1,0,1]=4 6874 B11R0.117 CCC(C)C(=O)CC(C)N(C)C 1458a_100011311895_100000758301 [0,2,0,0,0,0|2,0,0]=4 6875 B11R0.117 CCC(C)C(=O)CN(C)C(C)C 1458a_100000743827_100000758301 [0,2,0,0,0,0|2,0,0]=4 6876 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 11a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 6877 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 1626a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 6878 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 240690a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 6879 B11R0.117 CCC(C)C(=O)NC(C)C(C)C 527a_100000211541_100011192722 [0,2,0,0,0,0|2,0,0]=4 6880 B11R0.117 CCC(O)C(=O)CC(=O)C(C)C 1458a_100011196387_100000753385 [0,2,0,0,0,0|1,0,1]=4 6881 B11R0.117 CCC(O)C(=O)NC(C)C(C)C 240690a_100000211541_100011196387 [0,2,0,0,0,0|2,0,0]=4 6882 B11R0.117 CCN(C)C(=O)CC(=O)C(C)C 1458a_100000210198_100011894763 [0,2,0,0,0,0|1,0,1]=4 6883 B11R0.117 CCN(C)C(=O)CC(C)N(C)C 1626a_100000225621_100011311895 [0,2,0,0,0,0|2,0,0]=4 6884 B11R0.117 CCN(C)C(=O)CC(C)N(C)C 240690a_100000225621_100011311895 [0,2,0,0,0,0|2,0,0]=4 6885 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 11a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 6886 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 1626a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 6887 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 240690a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 6888 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 269982a_200000211004_100000738999 [0,2,0,0,0,0|2,0,0]=4 6889 B11R0.117 CCN(C)C(=O)CN(C)C(C)C 527a_100000225621_100000743827 [0,2,0,0,0,0|2,0,0]=4 6890 B11R0.117 CCN(C)C(=O)NC(C)C(C)C 2708a_100000211541_100000225621 [0,2,0,0,0,0|2,0,0]=4 6891 B11R0.117 CCN(C)C(=O)NC(C)C(C)C 273464a_100000211541_100000225621 [0,2,0,0,0,0|2,0,0]=4 6892 B11R0.163 C=C(CC(=O)C(C)C)OCOC 1458a_100000210198_100000042856 [0,2,0,0,0,0|1,0,1]=4 6893 B11R0.163 C=C(CN(C)C(C)C)OCOC 269982a_200000211004_100000042856 [0,2,0,0,0,0|2,0,0]=4 6894 B11R0.163 C=CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000033060 [0,2,0,0,0,0|0,0,2]=4 6895 B11R0.163 C=CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000033060 [0,2,0,0,0,0|1,0,1]=4 6896 B11R0.163 CC(C)C(C)NC(=O)NCCF 2708a_100000211541_100000724931 [0,2,0,0,0,0|2,0,0]=4 6897 B11R0.163 CC(C)C(C)NC(=O)NCCF 273464a_100000211541_100000724931 [0,2,0,0,0,0|2,0,0]=4 6898 B11R0.163 CC(C)C(C)NC(=O)NCCF 273464a_100000724931_100000211541 [0,2,0,0,0,0|2,0,0]=4 6899 B11R0.163 CC(C)C(C)NC(=O)NCCF 512a_100000211541_100000724931 [0,2,0,0,0,0|2,0,0]=4 6900 B11R0.163 CC(C)C(C)NC(=O)NCCO 2708a_100000211541_100000210304 [0,2,0,0,0,0|2,0,0]=4 6901 B11R0.163 CC(C)C(C)NC(=O)NCCO 273464a_100000210304_100000211541 [0,2,0,0,0,0|2,0,0]=4 6902 B11R0.163 CC(C)C(C)NC(=O)NCCO 273464a_100000211541_100000210304 [0,2,0,0,0,0|2,0,0]=4 6903 B11R0.163 CC(C)C(C)NC(=O)NCCO 512a_100000211541_100000210304 [0,2,0,0,0,0|2,0,0]=4 6904 B11R0.163 CC(C)N(C)CC(=O)CCCF 1458a_100000743827_100011934791 [0,2,0,0,0,0|2,0,0]=4 6905 B11R0.163 CC(C)N(C)CC(=O)CCCO 1458a_100000743827_100011215043 [0,2,0,0,0,0|2,0,0]=4 6906 B11R0.163 CC(C)N(C)CC(=O)NCCF 11a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 6907 B11R0.163 CC(C)N(C)CC(=O)NCCF 1626a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 6908 B11R0.163 CC(C)N(C)CC(=O)NCCF 240690a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 6909 B11R0.163 CC(C)N(C)CC(=O)NCCF 527a_100000724931_100000743827 [0,2,0,0,0,0|2,0,0]=4 6910 B11R0.163 CC(C)N(C)CC(=O)NCCO 240690a_100000210304_100000743827 [0,2,0,0,0,0|2,0,0]=4 6911 B11R0.163 CC(C)N(C)CC(=O)NCCO 527a_100000210304_100000743827 [0,2,0,0,0,0|2,0,0]=4 6912 B11R0.163 CC(CC(=O)CCCF)N(C)C 1458a_100011311895_100011934791 [0,2,0,0,0,0|2,0,0]=4 6913 B11R0.163 CC(CC(=O)CCCO)N(C)C 1458a_100011311895_100011215043 [0,2,0,0,0,0|2,0,0]=4 6914 B11R0.163 CC(CC(=O)NCCF)N(C)C 1626a_100000724931_100011311895 [0,2,0,0,0,0|2,0,0]=4 6915 B11R0.163 CC(CC(=O)NCCF)N(C)C 240690a_100000724931_100011311895 [0,2,0,0,0,0|2,0,0]=4 6916 B11R0.163 CC(CC(=O)NCCO)N(C)C 240690a_100000210304_100011311895 [0,2,0,0,0,0|2,0,0]=4 6917 B11R0.163 CCC#CC(=O)CC(=O)C(C)C 1458a_100011827653_100000753385 [0,2,0,0,0,0|1,0,1]=4 6918 B11R0.163 CCC=CC(=O)CC(=O)C(C)C 1458a_100000212282_100000753385 [0,2,0,0,0,0|1,0,1]=4 6919 B11R0.163 CCC=CC(=O)NC(C)C(C)C 11a_100000211541_100000212282 [0,2,0,0,0,0|2,0,0]=4 6920 B11R0.163 CCC=CC(=O)NC(C)C(C)C 1626a_100000211541_100000212282 [0,2,0,0,0,0|2,0,0]=4 6921 B11R0.163 CCC=CC(=O)NC(C)C(C)C 240690a_100000211541_100000212282 [0,2,0,0,0,0|2,0,0]=4 6922 B11R0.163 CCCCC(=O)CC(=O)C(C)C 1458a_100000210183_100000753385 [0,2,0,0,0,0|1,0,1]=4 6923 B11R0.163 CCCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210211 [0,2,0,0,0,0|2,0,0]=4 6924 B11R0.163 CCCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210211 [0,2,0,0,0,0|2,0,0]=4 6925 B11R0.163 CCCCC(=O)NC(C)C(C)C 11a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 6926 B11R0.163 CCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 6927 B11R0.163 CCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 6928 B11R0.163 CCCCC(=O)NC(C)C(C)C 527a_100000211541_100000210183 [0,2,0,0,0,0|2,0,0]=4 6929 B11R0.163 CCCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183358 [0,2,0,0,0,0|1,0,1]=4 6930 B11R0.163 CCCNC(=O)CC(C)N(C)C 1626a_100020643023_100011311895 [0,2,0,0,0,0|2,0,0]=4 6931 B11R0.163 CCCNC(=O)CC(C)N(C)C 240690a_100020643023_100011311895 [0,2,0,0,0,0|2,0,0]=4 6932 B11R0.163 CCCNC(=O)CN(C)C(C)C 11a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 6933 B11R0.163 CCCNC(=O)CN(C)C(C)C 1626a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 6934 B11R0.163 CCCNC(=O)CN(C)C(C)C 2230a_100000684209_100000210206 [0,2,0,0,0,0|2,0,0]=4 6935 B11R0.163 CCCNC(=O)CN(C)C(C)C 240690a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 6936 B11R0.163 CCCNC(=O)CN(C)C(C)C 269982a_100000684209_100000210206 [0,2,0,0,0,0|2,0,0]=4 6937 B11R0.163 CCCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183358 [0,2,0,0,0,0|2,0,0]=4 6938 B11R0.163 CCCNC(=O)CN(C)C(C)C 527a_100020643023_100000743827 [0,2,0,0,0,0|2,0,0]=4 6939 B11R0.163 CCCNC(=O)NC(C)C(C)C 2708a_100000211541_100020643023 [0,2,0,0,0,0|2,0,0]=4 6940 B11R0.163 CCCNC(=O)NC(C)C(C)C 2708a_100020643023_100000211541 [0,2,0,0,0,0|2,0,0]=4 6941 B11R0.163 CCCNC(=O)NC(C)C(C)C 273464a_100000211541_100020643023 [0,2,0,0,0,0|2,0,0]=4 6942 B11R0.163 CCCNC(=O)NC(C)C(C)C 273464a_100020643023_100000211541 [0,2,0,0,0,0|2,0,0]=4 6943 B11R0.163 CCCNC(=O)NC(C)C(C)C 512a_100000211541_100020643023 [0,2,0,0,0,0|2,0,0]=4 6944 B11R0.163 CCCNC(=O)NC(C)C(C)C 512a_100020643023_100000211541 [0,2,0,0,0,0|2,0,0]=4 6945 B11R0.163 CCCOC(=O)CC(=O)C(C)C 1458a_100000210198_200011215008 [0,2,0,0,0,0|0,0,1]=3 6946 B11R0.163 CCCOC(=O)CC(=O)C(C)F 1458a_100000062450_200011215008 [0,2,0,0,0,0|1,0,1]=4 6947 B11R0.163 CCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200011215008 [0,2,0,0,0,0|1,0,1]=4 6948 B11R0.163 CCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200011215008 [0,2,0,0,0,0|1,0,1]=4 6949 B11R0.163 CCCOC(=O)CN(C)C(C)C 269982a_200000211004_200011215008 [0,2,0,0,0,0|1,0,0]=3 6950 B11R0.163 CCNNC(=O)CC(C)N(C)C 22a_100000756455_100011311895 [0,2,0,0,0,0|2,0,0]=4 6951 B11R0.163 CCNNC(=O)CN(C)C(C)C 22a_100000756455_100000743827 [0,2,0,0,0,0|2,0,0]=4 6952 B11R0.163 CCNNC(=O)NC(C)C(C)C 273464a_100000211541_100000756455 [0,2,0,0,0,0|2,0,0]=4 6953 B11R0.163 CCNNC(=O)NC(C)C(C)C 512a_100000211541_100000756455 [0,2,0,0,0,0|2,0,0]=4 6954 B11R0.163 CCNNC(=O)NC(C)C(C)C 512a_100000756455_100000211541 [0,2,0,0,0,0|2,0,0]=4 6955 B11R0.163 CCOCC(=O)CC(=O)C(C)C 1458a_100000211967_100000753385 [0,2,0,0,0,0|0,0,1]=3 6956 B11R0.163 CCOCC(=O)CC(=O)N(C)C 1458a_100000211967_100000185267 [0,2,0,0,0,0|1,0,1]=4 6957 B11R0.163 CCOCC(=O)NC(C)C(C)C 11a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 6958 B11R0.163 CCOCC(=O)NC(C)C(C)C 1626a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 6959 B11R0.163 CCOCC(=O)NC(C)C(C)C 240690a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 6960 B11R0.163 CCOCC(=O)NC(C)C(C)C 527a_100000211541_100000211967 [0,2,0,0,0,0|1,0,0]=3 6961 B11R0.163 CCSCC(=O)CC(=O)C(C)C 1458a_100000230394_100000753385 [0,2,0,0,0,0|0,1,1]=4 6962 B11R0.163 CCSCC(=O)NC(C)C(C)C 11a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 6963 B11R0.163 CCSCC(=O)NC(C)C(C)C 1626a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 6964 B11R0.163 CCSCC(=O)NC(C)C(C)C 240690a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 6965 B11R0.163 CCSCC(=O)NC(C)C(C)C 527a_100000211541_100000230394 [0,2,0,0,0,0|1,1,0]=4 6966 B11R0.163 COCCC(=O)CC(=O)C(C)C 1458a_100000749529_100000753385 [0,2,0,0,0,0|1,0,1]=4 6967 B11R0.163 COCCC(=O)CC(C)N(C)C 1458a_100011311895_100000233755 [0,2,0,0,0,0|2,0,0]=4 6968 B11R0.163 COCCC(=O)CN(C)C(C)C 1458a_100000743827_100000233755 [0,2,0,0,0,0|2,0,0]=4 6969 B11R0.163 COCCC(=O)NC(C)C(C)C 11a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 6970 B11R0.163 COCCC(=O)NC(C)C(C)C 1626a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 6971 B11R0.163 COCCC(=O)NC(C)C(C)C 240690a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 6972 B11R0.163 COCCC(=O)NC(C)C(C)C 527a_100000211541_100000749529 [0,2,0,0,0,0|2,0,0]=4 6973 B11R0.163 CSCCC(=O)CC(=O)C(C)C 1458a_100000174002_100000753385 [0,2,0,0,0,0|1,0,1]=4 6974 B11R0.163 CSCCC(=O)CC(C)N(C)C 1458a_100011311895_100000751147 [0,2,0,0,0,0|2,0,0]=4 6975 B11R0.163 CSCCC(=O)CN(C)C(C)C 1458a_100000743827_100000751147 [0,2,0,0,0,0|2,0,0]=4 6976 B11R0.163 CSCCC(=O)NC(C)C(C)C 11a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 6977 B11R0.163 CSCCC(=O)NC(C)C(C)C 1626a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 6978 B11R0.163 CSCCC(=O)NC(C)C(C)C 240690a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 6979 B11R0.163 CSCCC(=O)NC(C)C(C)C 527a_100000211541_100000174002 [0,2,0,0,0,0|2,0,0]=4 6980 B11R0.187 C#CC(C)C(=O)CC(=O)OCC 1458a_100000243816_200000035995 [0,2,0,0,0,0|0,0,2]=4 6981 B11R0.187 C/C=C(\C)/C(=O)CC(=O)OCC 1458a_100020587367_100000188475 [0,2,0,0,0,0|0,0,2]=4 6982 B11R0.187 C=CC(C)C(=O)CC(=O)OCC 1458a_100011216780_100000188475 [0,2,0,0,0,0|0,0,2]=4 6983 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,2,0,0,0,0|1,0,1]=4 6984 B11R0.187 CCCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747444 [0,2,0,0,0,0|1,0,1]=4 6985 B11R0.187 CCCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747444 [0,2,0,0,0,0|1,0,1]=4 6986 B11R0.187 CCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210303 [0,2,0,0,0,0|2,0,0]=4 6987 B11R0.187 CCCC(=O)CN(C)C(C)CC 2230a_100000741768_100000747444 [0,2,0,0,0,0|2,0,0]=4 6988 B11R0.187 CCCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747444 [0,2,0,0,0,0|2,0,0]=4 6989 B11R0.187 CCCC(=O)CN(C)C(C)CO 2230a_100000693034_100000747444 [0,2,0,0,0,0|2,0,0]=4 6990 B11R0.187 CCCC(=O)CN(C)C(C)CO 269982a_100000693034_100000747444 [0,2,0,0,0,0|2,0,0]=4 6991 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,2,0,0,0,0|1,0,1]=4 6992 B11R0.187 CCNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183381 [0,2,0,0,0,0|1,0,1]=4 6993 B11R0.187 CCNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183381 [0,2,0,0,0,0|1,0,1]=4 6994 B11R0.187 CCNC(=O)CC(C)N(C)CC 240690a_100015525214_200015187196 [0,2,0,0,0,0|2,0,0]=4 6995 B11R0.187 CCNC(=O)CC(C)N(C)CC 527a_100015525214_200015187196 [0,2,0,0,0,0|2,0,0]=4 6996 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000183381 [0,2,0,0,0,0|2,0,0]=4 6997 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741943_100000758301 [0,2,0,0,0,0|2,0,0]=4 6998 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000183381 [0,2,0,0,0,0|2,0,0]=4 6999 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741943_100000758301 [0,2,0,0,0,0|2,0,0]=4 7000 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000693034_100000183381 [0,2,0,0,0,0|2,0,0]=4 7001 B11R0.187 CCNC(=O)CN(C)C(C)CO 2230a_100000741943_100012180447 [0,2,0,0,0,0|2,0,0]=4 7002 B11R0.187 CCNC(=O)CN(C)C(C)CO 269982a_100000693034_100000183381 [0,2,0,0,0,0|2,0,0]=4 7003 B11R0.187 CCNC(=O)CN(C)C(C)OC 269982a_100000741943_100009879195 [0,2,0,0,0,0|2,0,0]=4 7004 B11R0.187 CCNC(=O)CN(C)[C@H](C)CO 269982a_100000741943_100016084084 [0,2,0,0,0,0|2,0,0]=4 7005 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000243816_100000703298 [0,2,0,0,0,0|0,0,2]=4 7006 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000188475 [0,2,0,0,0,0|0,0,2]=4 7007 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,2,0,0,0,0|0,0,1]=3 7008 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,2,0,0,0,0|0,0,1]=3 7009 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,2,0,0,0,0|0,0,1]=3 7010 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,2,0,0,0,0|0,0,1]=3 7011 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,2,0,0,0,0|0,0,1]=3 7012 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,2,0,0,0,0|0,0,1]=3 7013 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,2,0,0,0,0|0,0,1]=3 7014 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,2,0,0,0,0|0,0,1]=3 7015 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,2,0,0,0,0|1,0,1]=4 7016 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,2,0,0,0,0|1,0,1]=4 7017 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,2,0,0,0,0|1,0,1]=4 7018 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,2,0,0,0,0|1,0,1]=4 7019 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,2,0,0,0,0|1,0,1]=4 7020 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,2,0,0,0,0|1,0,0]=3 7021 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,2,0,0,0,0|1,0,0]=3 7022 B11R0.187 CCOC(=O)CN(C)C(C)C#N 2230a_100000220588_100000184139 [0,2,0,0,0,0|1,0,1]=4 7023 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,2,0,0,0,0|1,0,0]=3 7024 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,2,0,0,0,0|1,0,0]=3 7025 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,2,0,0,0,0|1,0,0]=3 7026 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000220588_100012180447 [0,2,0,0,0,0|1,0,0]=3 7027 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000188475 [0,2,0,0,0,0|1,0,0]=3 7028 B11R0.187 CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000188475 [0,2,0,0,0,0|1,0,0]=3 7029 B11R0.187 CCOC(=O)OC(C)N(C)CC 269982a_100000225621_100000036008 [0,2,0,0,0,0|2,0,0]=4 7030 B11R0.143 CCC(CCC(C)C)OC(C)C 34a_100011216567_100000210206 [0,2,0,0,0,0|1,0,1]=4 7031 B11R0.143 CCC(CCC(C)C)OC(C)C 7a_100011216567_100000210206 [0,2,0,0,0,0|1,0,1]=4 7032 B11R0.164 CCC(CCC(C)C)OCCF 34a_100011216567_100011217306 [0,2,0,0,0,0|1,0,1]=4 7033 B11R0.164 CCC(CCC(C)C)OCCF 7a_100011216567_100011217306 [0,2,0,0,0,0|1,0,1]=4 7034 B11R0.164 CCC(CCC(C)C)OCCO 34a_100011216567_100000211926 [0,2,0,0,0,0|1,0,1]=4 7035 B11R0.164 CCC(CCC(C)C)OCCO 7a_100011216567_100000211926 [0,2,0,0,0,0|1,0,1]=4 7036 B11R0.164 CCC(CCC(C)C)OCSC 34a_100011216567_100011218213 [0,2,0,0,0,0|1,0,1]=4 7037 B11R0.164 CCCOC(CC)CCC(C)C 34a_100011216567_100000210303 [0,2,0,0,0,0|1,0,1]=4 7038 B11R0.164 CCCOC(CC)CCC(C)C 7a_100011216567_100000210303 [0,2,0,0,0,0|1,0,1]=4 7039 B11R0.164 CCOCN(CC)CCC(C)C 269982a_100000207693_100000739092 [0,2,0,0,0,0|2,0,0]=4 7040 B11R0.185 C#CC(C)(CCC(C)C)OCC 34a_200011216164_100000210202 [0,2,0,0,0,0|1,0,1]=4 7041 B11R0.185 C#CC(C)(CCC(C)C)OCC 7a_200011216164_100000210202 [0,2,0,0,0,0|1,0,1]=4 7042 B11R0.43 C#CC(C)NC(C)C(=O)OCC 2230a_100000707721_100011215307 [0,2,0,0,0,0|1,0,1]=4 7043 B11R0.43 C#CC(C)NC(C)C(=O)OCC 34a_100000707721_100011216346 [0,2,0,0,0,0|1,0,1]=4 7044 B11R0.43 C#CC(C)NC(F)C(=O)OCC 2230a_100000707721_100000760018 [0,2,0,0,0,0|1,0,1]=4 7045 B11R0.43 C#CC(C)NC(F)C(=O)OCC 34a_100000707721_100000760018 [0,2,0,0,0,0|1,0,1]=4 7046 B11R0.43 C#CC(C)SC(C)C(=O)OCC 62a_200000035995_100011216346 [0,2,0,0,0,0|1,0,1]=4 7047 B11R0.43 C#CC(C)SC(F)C(=O)OCC 62a_200000035995_100000760018 [0,2,0,0,0,0|1,0,1]=4 7048 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 34a_100009815206_100011216346 [0,2,0,0,0,0|1,0,1]=4 7049 B11R0.43 C#C[C@@H](C)OC(C)C(=O)OCC 7a_100009815206_100011216346 [0,2,0,0,0,0|1,0,1]=4 7050 B11R0.43 C#C[C@@H](C)OC(F)C(=O)OCC 34a_100009815206_100000760018 [0,2,0,0,0,0|1,0,1]=4 7051 B11R0.43 C#C[C@@H](C)OC(F)C(=O)OCC 7a_100009815206_100000040065 [0,2,0,0,0,0|1,0,1]=4 7052 B11R0.43 C=C(CN(C)CC)C(=O)OCC 269982a_100000225621_100000755967 [0,2,0,0,0,0|1,0,1]=4 7053 B11R0.43 C=CC(C)OC(C)C(=O)OCC 34a_100000695699_100011216346 [0,2,0,0,0,0|1,0,1]=4 7054 B11R0.43 C=CC(C)OC(F)C(=O)OCC 34a_100000695699_100000760018 [0,2,0,0,0,0|1,0,1]=4 7055 B11R0.43 C=CC(C)SC(C)C(=O)OCC 62a_100011215867_100011216346 [0,2,0,0,0,0|1,0,1]=4 7056 B11R0.43 C=CC(C)SC(F)C(=O)OCC 62a_100011215867_100000760018 [0,2,0,0,0,0|1,0,1]=4 7057 B11R0.43 CCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210303 [0,2,0,0,0,0|2,0,0]=4 7058 B11R0.43 CCCC(=O)N(C)CC(C)CC 11a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 7059 B11R0.43 CCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 7060 B11R0.43 CCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 7061 B11R0.43 CCCC(=O)N(C)CC(C)CC 527a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 7062 B11R0.43 CCNC(=O)C(=O)CC(C)CC 1458a_200011297158_100000748023 [0,2,0,0,0,0|1,0,1]=4 7063 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CC 1458a_200011297158_100009816398 [0,2,0,0,0,0|1,0,1]=4 7064 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CO 1458a_200011297158_100000059175 [0,2,0,0,0,0|1,0,1]=4 7065 B11R0.43 CCNC(=O)C(C)CN(C)CC 11a_100015525214_200015185930 [0,2,0,0,0,0|2,0,0]=4 7066 B11R0.43 CCNC(=O)C(C)CN(C)CC 240690a_100015525214_200015185930 [0,2,0,0,0,0|2,0,0]=4 7067 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230173 [0,2,0,0,0,0|2,0,0]=4 7068 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000736553_100000758301 [0,2,0,0,0,0|2,0,0]=4 7069 B11R0.43 CCNC(=O)C(C)NC(C)CC 34a_100000736553_100011215416 [0,2,0,0,0,0|2,0,0]=4 7070 B11R0.43 CCNC(=O)C(C)NC(C)CO 2230a_100000736553_100012180447 [0,2,0,0,0,0|2,0,0]=4 7071 B11R0.43 CCNC(=O)C(C)NC(C)CO 34a_100000736553_100012180447 [0,2,0,0,0,0|2,0,0]=4 7072 B11R0.43 CCNC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000230173 [0,2,0,0,0,0|2,0,0]=4 7073 B11R0.43 CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230173 [0,2,0,0,0,0|2,0,0]=4 7074 B11R0.43 CCNC(=O)C(C)OC(C)CF 34a_100016041109_100000230173 [0,2,0,0,0,0|2,0,0]=4 7075 B11R0.43 CCNC(=O)C(C)OC(C)CF 7a_100016041109_100000230173 [0,2,0,0,0,0|2,0,0]=4 7076 B11R0.43 CCNC(=O)C(C)OC(C)CN 34a_100000210904_100000230173 [0,2,0,0,0,0|2,0,0]=4 7077 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000230173_100000758301 [0,2,0,0,0,0|2,0,0]=4 7078 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230173 [0,2,0,0,0,0|2,0,0]=4 7079 B11R0.43 CCNC(=O)C(C)SC(C)CO 62a_100012180447_100000230173 [0,2,0,0,0,0|2,0,0]=4 7080 B11R0.43 CCNC(=O)C(C)SC(C)OC 62a_100000230173_100009879195 [0,2,0,0,0,0|2,0,0]=4 7081 B11R0.43 CCNC(=O)C(C)SC(C)OC 62a_100009879195_100000230173 [0,2,0,0,0,0|2,0,0]=4 7082 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100000230173_100016084084 [0,2,0,0,0,0|2,0,0]=4 7083 B11R0.43 CCNC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000230173 [0,2,0,0,0,0|2,0,0]=4 7084 B11R0.43 CCNC(=O)N(C)CC(C)CC 2708a_100015525214_100000753921 [0,2,0,0,0,0|2,0,0]=4 7085 B11R0.43 CCNC(=O)N(C)CC(C)CC 273464a_100015525214_100000753921 [0,2,0,0,0,0|2,0,0]=4 7086 B11R0.43 CCOC(=O)C(=O)CN(C)CC 269982a_100000225621_100000211299 [0,2,0,0,0,0|1,0,1]=4 7087 B11R0.43 CCOC(=O)C(=O)NC(C)CC 11a_100000209981_100014798877 [0,2,0,0,0,0|1,0,1]=4 7088 B11R0.43 CCOC(=O)C(=O)NC(C)CC 1626a_100000209981_100014798877 [0,2,0,0,0,0|1,0,1]=4 7089 B11R0.43 CCOC(=O)C(=O)NC(C)CC 240690a_100000209981_100014798877 [0,2,0,0,0,0|1,0,1]=4 7090 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100014798877 [0,2,0,0,0,0|1,0,1]=4 7091 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100014798877 [0,2,0,0,0,0|1,0,1]=4 7092 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100014798877 [0,2,0,0,0,0|1,0,1]=4 7093 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100014798877 [0,2,0,0,0,0|1,0,1]=4 7094 B11R0.43 CCOC(=O)C(C)NC(C)C#N 2230a_100000737613_100011215307 [0,2,0,0,0,0|1,0,1]=4 7095 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [0,2,0,0,0,0|1,0,0]=3 7096 B11R0.43 CCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100011215307 [0,2,0,0,0,0|1,0,0]=3 7097 B11R0.43 CCOC(=O)C(C)OC(C)C#N 34a_100011218135_100011216346 [0,2,0,0,0,0|1,0,1]=4 7098 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [0,2,0,0,0,0|1,0,0]=3 7099 B11R0.43 CCOC(=O)C(C)OC(C)CF 34a_100016041109_100011216346 [0,2,0,0,0,0|1,0,0]=3 7100 B11R0.43 CCOC(=O)C(C)OC(C)CF 7a_100016041109_100011216346 [0,2,0,0,0,0|1,0,0]=3 7101 B11R0.43 CCOC(=O)C(C)OC(C)CN 34a_100000210904_100011216346 [0,2,0,0,0,0|1,0,0]=3 7102 B11R0.43 CCOC(=O)C(C)SC(C)C#N 62a_100000703298_100011216346 [0,2,0,0,0,0|1,0,1]=4 7103 B11R0.43 CCOC(=O)C(C)SC(C)C#N 62a_100011216346_100000703298 [0,2,0,0,0,0|1,0,1]=4 7104 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [0,2,0,0,0,0|1,0,0]=3 7105 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [0,2,0,0,0,0|1,0,0]=3 7106 B11R0.43 CCOC(=O)C(C)SC(C)CO 62a_100012180447_100011216346 [0,2,0,0,0,0|1,0,0]=3 7107 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100009879195_100011216346 [0,2,0,0,0,0|1,0,0]=3 7108 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100011216346_100009879195 [0,2,0,0,0,0|1,0,0]=3 7109 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100011216346_100016084084 [0,2,0,0,0,0|1,0,0]=3 7110 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100011216346 [0,2,0,0,0,0|1,0,0]=3 7111 B11R0.43 CCOC(=O)C(F)NC(C)C#N 2230a_100000737613_100000760018 [0,2,0,0,0,0|1,0,1]=4 7112 B11R0.43 CCOC(=O)C(F)NC(C)CC 2230a_100000209981_100000760018 [0,2,0,0,0,0|1,0,0]=3 7113 B11R0.43 CCOC(=O)C(F)N[C@H](C)CO 2230a_100000737577_100000760018 [0,2,0,0,0,0|1,0,0]=3 7114 B11R0.43 CCOC(=O)C(F)OC(C)C#N 34a_100011218135_100000760018 [0,2,0,0,0,0|1,0,1]=4 7115 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [0,2,0,0,0,0|1,0,0]=3 7116 B11R0.43 CCOC(=O)C(F)OC(C)CF 34a_100016041109_100000760018 [0,2,0,0,0,0|1,0,0]=3 7117 B11R0.43 CCOC(=O)C(F)OC(C)CF 7a_100016041109_100000040065 [0,2,0,0,0,0|1,0,0]=3 7118 B11R0.43 CCOC(=O)C(F)OC(C)CN 34a_100000210904_100000760018 [0,2,0,0,0,0|1,0,0]=3 7119 B11R0.43 CCOC(=O)C(F)SC(C)C#N 62a_100000703298_100000760018 [0,2,0,0,0,0|1,0,1]=4 7120 B11R0.43 CCOC(=O)C(F)SC(C)C#N 62a_100000760018_100000703298 [0,2,0,0,0,0|1,0,1]=4 7121 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000758301_100000760018 [0,2,0,0,0,0|1,0,0]=3 7122 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000760018_100000758301 [0,2,0,0,0,0|1,0,0]=3 7123 B11R0.43 CCOC(=O)C(F)SC(C)CO 62a_100012180447_100000760018 [0,2,0,0,0,0|1,0,0]=3 7124 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100000760018_100009879195 [0,2,0,0,0,0|1,0,0]=3 7125 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100009879195_100000760018 [0,2,0,0,0,0|1,0,0]=3 7126 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100000760018_100016084084 [0,2,0,0,0,0|1,0,0]=3 7127 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100016084084_100000760018 [0,2,0,0,0,0|1,0,0]=3 7128 B11R0.43 CCOC(=O)[C@H](C)OC(C)C#N 7a_100000751109_100000703298 [0,2,0,0,0,0|1,0,1]=4 7129 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [0,2,0,0,0,0|1,0,0]=3 7130 B11R0.43 CCOC(=O)[C@H](C)OC(C)CO 7a_100000751109_100012180447 [0,2,0,0,0,0|1,0,0]=3 7131 B11R0.43 CCSC(=O)[C@H](C)NC(C)CC 2230a_100103168634_100000758301 [0,2,0,0,0,0|1,1,0]=4 7132 B11R0.43 CCSC(=O)[C@H](C)NC(C)CO 2230a_100103168634_100012180447 [0,2,0,0,0,0|1,1,0]=4 7133 B11R0.56 CCCC(=O)N(CC)CC(C)C 11a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 7134 B11R0.56 CCCC(=O)N(CC)CC(C)C 1626a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 7135 B11R0.56 CCCC(=O)N(CC)CC(C)C 240690a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 7136 B11R0.56 CCCC(=O)N(CC)CC(C)C 527a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 7137 B11R0.56 CCNC(=O)N(CC)CC(C)C 2708a_100015525214_100000738554 [0,2,0,0,0,0|2,0,0]=4 7138 B11R0.56 CCNC(=O)N(CC)CC(C)C 273464a_100015525214_100000738554 [0,2,0,0,0,0|2,0,0]=4 7139 B11R0.56 CCOC(=O)C(C=O)SC(C)C 62a_100000053139_100000210206 [0,2,0,0,0,0|1,0,0]=3 7140 B11R0.56 CCOC(=O)C(C=O)SC(C)C 62a_100000210206_100000053139 [0,2,0,0,0,0|1,0,0]=3 7141 B11R0.56 CCOC(=O)C(CC(C)C)NC 2230a_106832991635_100010269446 [0,2,0,0,0,0|0,0,0]=2 7142 B11R0.56 CCOC(=O)C(CC(C)C)NC 34a_100102657272_100010269446 [0,2,0,0,0,0|0,0,0]=2 7143 B11R0.56 CCOC(=O)C(CC(C)C)NC 7a_106832991635_100010269446 [0,2,0,0,0,0|0,0,0]=2 7144 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100011626094_200000210301 [0,2,0,0,0,0|0,0,0]=2 7145 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100138415774_100010269446 [0,2,0,0,0,0|0,0,0]=2 7146 B11R0.56 CCOC(=O)C(CC(C)C)OC 7a_100011626094_200000210301 [0,2,0,0,0,0|0,0,0]=2 7147 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 34a_100011626094_200025704644 [0,2,0,0,0,0|0,0,0]=2 7148 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 7a_100011626094_200025704644 [0,2,0,0,0,0|0,0,0]=2 7149 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_100010269446_200000210301 [0,2,0,0,0,0|0,0,0]=2 7150 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_200000210301_100010269446 [0,2,0,0,0,0|0,0,0]=2 7151 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_100010269446_200025704644 [0,2,0,0,0,0|0,0,0]=2 7152 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_200025704644_100010269446 [0,2,0,0,0,0|0,0,0]=2 7153 B11R0.56 CCOC(=O)C(CC)NC(C)C 2230a_100138425928_100000212269 [0,2,0,0,0,0|1,0,0]=3 7154 B11R0.56 CCOC(=O)C(CC)NC(C)C 34a_100138425928_100000212269 [0,2,0,0,0,0|1,0,0]=3 7155 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100000212225_100000212269 [0,2,0,0,0,0|1,0,0]=3 7156 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100011216719_100000210206 [0,2,0,0,0,0|1,0,0]=3 7157 B11R0.56 CCOC(=O)C(CC)OC(C)C 7a_100011216719_100000210206 [0,2,0,0,0,0|1,0,0]=3 7158 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000210206_100000212269 [0,2,0,0,0,0|1,0,0]=3 7159 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000212269_100000210206 [0,2,0,0,0,0|1,0,0]=3 7160 B11R0.56 CCOC(=O)C(NC(C)C)SC 34a_100138425928_100009893047 [0,2,0,0,0,0|1,0,0]=3 7161 B11R0.56 CCOC(=O)C(OC(C)C)SC 34a_100000212225_100009893047 [0,2,0,0,0,0|1,0,0]=3 7162 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100000210206_100009893047 [0,2,0,0,0,0|1,0,0]=3 7163 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100009893047_100000210206 [0,2,0,0,0,0|1,0,0]=3 7164 B11R0.63 C/C=C(\C)/C(=O)C(C)CC(C)C 1458a_100020587367_100000731052 [0,2,0,0,0,0|1,0,1]=4 7165 B11R0.63 CC(C)CC(C)C(=O)C(O)CO 1458a_100011215603_100000731052 [0,2,0,0,0,0|2,0,0]=4 7166 B11R0.63 CCC(C)C(=O)C(C)CC(C)C 1458a_100011192722_100000731052 [0,2,0,0,0,0|1,0,0]=3 7167 B11R0.63 CCC(C)C(=O)C(C)CN(C)C 1458a_200015186601_100000758301 [0,2,0,0,0,0|2,0,0]=4 7168 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 11a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 7169 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 1626a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 7170 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 240690a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 7171 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 527a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 7172 B11R0.63 CCC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000758301 [0,2,0,0,0,0|1,0,0]=3 7173 B11R0.63 CCC(O)C(=O)C(C)CC(C)C 1458a_100011196387_100000731052 [0,2,0,0,0,0|1,0,0]=3 7174 B11R0.63 CCC(O)C(=O)N(C)CC(C)C 240690a_100000747067_100011196387 [0,2,0,0,0,0|2,0,0]=4 7175 B11R0.63 CCN(C)C(=O)C(C)CN(C)C 1626a_100000225621_200015186601 [0,2,0,0,0,0|2,0,0]=4 7176 B11R0.63 CCN(C)C(=O)C(C)CN(C)C 240690a_100000225621_200015186601 [0,2,0,0,0,0|2,0,0]=4 7177 B11R0.63 CCN(C)C(=O)C(C)NC(C)C 2230a_100138425928_200012002205 [0,2,0,0,0,0|2,0,0]=4 7178 B11R0.63 CCN(C)C(=O)C(C)NC(C)C 34a_100138425928_200012002205 [0,2,0,0,0,0|2,0,0]=4 7179 B11R0.63 CCN(C)C(=O)C(C)OC(C)C 34a_100000212225_200012002205 [0,2,0,0,0,0|2,0,0]=4 7180 B11R0.63 CCN(C)C(=O)C(C)SC(C)C 62a_100000210206_200012002205 [0,2,0,0,0,0|2,0,0]=4 7181 B11R0.63 CCN(C)C(=O)C(C)SC(C)C 62a_200012002205_100000210206 [0,2,0,0,0,0|2,0,0]=4 7182 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 1626a_100000225621_100012027011 [0,2,0,0,0,0|1,0,0]=3 7183 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 240690a_100000225621_100012027011 [0,2,0,0,0,0|1,0,0]=3 7184 B11R0.63 CNC(=O)C(=O)C(C)CC(C)C 1458a_100011218921_100000731052 [0,2,0,0,0,0|2,0,0]=4 7185 B11R0.63 COC(C)C(=O)C(C)CC(C)C 1458a_100000743197_100000731052 [0,2,0,0,0,0|2,0,0]=4 7186 B11R0.63 CSC(C)C(=O)C(C)CC(C)C 1458a_100000149566_100000731052 [0,2,0,0,0,0|2,0,0]=4 7187 B11R0.68 C#CCCC(=O)C(C)CC(C)C 1458a_100000692101_100000731052 [0,2,0,0,0,0|1,0,1]=4 7188 B11R0.68 C#CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000753159 [0,2,0,0,0,0|1,0,1]=4 7189 B11R0.68 C#CCNC(=O)[C@@H](O)CC(C)C 1626a_100000212058_100012027011 [0,2,0,0,0,0|1,0,1]=4 7190 B11R0.68 C#CCNC(=O)[C@@H](O)CC(C)C 240690a_100000212058_100012027011 [0,2,0,0,0,0|1,0,1]=4 7191 B11R0.68 C/C=C/CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100102629194 [0,2,0,0,0,0|1,0,1]=4 7192 B11R0.68 C=CCCC(=O)C(C)CC(C)C 1458a_100000749702_100000731052 [0,2,0,0,0,0|1,0,1]=4 7193 B11R0.68 C=CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000754431 [0,2,0,0,0,0|1,0,1]=4 7194 B11R0.68 C=CCNC(=O)[C@@H](O)CC(C)C 1626a_100020586998_100012027011 [0,2,0,0,0,0|1,0,1]=4 7195 B11R0.68 C=CCNC(=O)[C@@H](O)CC(C)C 240690a_100020586998_100012027011 [0,2,0,0,0,0|1,0,1]=4 7196 B11R0.68 CC#CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748600 [0,2,0,0,0,0|1,0,1]=4 7197 B11R0.68 CC(C)CC(C)C(=O)C#CCO 1458a_100000049017_100000731052 [0,2,0,0,0,0|1,0,1]=4 7198 B11R0.68 CC(C)CC(C)C(=O)CCC#N 1458a_100011934036_100000731052 [0,2,0,0,0,0|1,0,1]=4 7199 B11R0.68 CC(C)CN(C)C(=O)NCCF 273464a_100000724931_100000747067 [0,2,0,0,0,0|2,0,0]=4 7200 B11R0.68 CC(C)CN(C)C(=O)NCCO 273464a_100000210304_100000747067 [0,2,0,0,0,0|2,0,0]=4 7201 B11R0.68 CC(C)C[C@H](O)C(=O)CCC#N 1458a_100012027011_100011215226 [0,2,0,0,0,0|1,0,1]=4 7202 B11R0.68 CC(C)C[C@H](O)C(=O)CCCF 1458a_100012027011_100011934791 [0,2,0,0,0,0|1,0,0]=3 7203 B11R0.68 CC(C)C[C@H](O)C(=O)CCCO 1458a_100012027011_100011215043 [0,2,0,0,0,0|1,0,0]=3 7204 B11R0.68 CC(C)C[C@H](O)C(=O)NCC#N 1626a_100000734998_100012027011 [0,2,0,0,0,0|1,0,1]=4 7205 B11R0.68 CC(C)C[C@H](O)C(=O)NCCF 1626a_100000724931_100012027011 [0,2,0,0,0,0|1,0,0]=3 7206 B11R0.68 CC(C)C[C@H](O)C(=O)NCCF 240690a_100000724931_100012027011 [0,2,0,0,0,0|1,0,0]=3 7207 B11R0.68 CC(C)C[C@H](O)C(=O)NCCO 240690a_100000210304_100012027011 [0,2,0,0,0,0|1,0,0]=3 7208 B11R0.68 CC(CN(C)C)C(=O)CCCF 1458a_200015186601_100011934791 [0,2,0,0,0,0|2,0,0]=4 7209 B11R0.68 CC(CN(C)C)C(=O)CCCO 1458a_200015186601_100011215043 [0,2,0,0,0,0|2,0,0]=4 7210 B11R0.68 CC(CN(C)C)C(=O)NCCF 1626a_100000724931_200015186601 [0,2,0,0,0,0|2,0,0]=4 7211 B11R0.68 CC(CN(C)C)C(=O)NCCF 240690a_100000724931_200015186601 [0,2,0,0,0,0|2,0,0]=4 7212 B11R0.68 CC(CN(C)C)C(=O)NCCO 240690a_100000210304_200015186601 [0,2,0,0,0,0|2,0,0]=4 7213 B11R0.68 CC=CCC(=O)C(C)CC(C)C 1458a_100121576822_100000731052 [0,2,0,0,0,0|1,0,1]=4 7214 B11R0.68 CC=CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000070051 [0,2,0,0,0,0|1,0,1]=4 7215 B11R0.68 CCC#CC(=O)C(C)CC(C)C 1458a_100011827653_100000731052 [0,2,0,0,0,0|1,0,0]=3 7216 B11R0.68 CCC=CC(=O)C(C)CC(C)C 1458a_100000212282_100000731052 [0,2,0,0,0,0|1,0,0]=3 7217 B11R0.68 CCC=CC(=O)N(C)CC(C)C 11a_100000747067_100000212282 [0,2,0,0,0,0|2,0,0]=4 7218 B11R0.68 CCC=CC(=O)N(C)CC(C)C 1626a_100000747067_100000212282 [0,2,0,0,0,0|2,0,0]=4 7219 B11R0.68 CCC=CC(=O)N(C)CC(C)C 240690a_100000747067_100000212282 [0,2,0,0,0,0|2,0,0]=4 7220 B11R0.68 CCCCC(=O)C(C)CC(C)C 1458a_100000210183_100000731052 [0,2,0,0,0,0|1,0,0]=3 7221 B11R0.68 CCCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210211 [0,2,0,0,0,0|2,0,0]=4 7222 B11R0.68 CCCCC(=O)N(C)CC(C)C 11a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 7223 B11R0.68 CCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 7224 B11R0.68 CCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 7225 B11R0.68 CCCCC(=O)N(C)CC(C)C 527a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 7226 B11R0.68 CCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210211 [0,2,0,0,0,0|1,0,0]=3 7227 B11R0.68 CCCNC(=O)C(=O)CC(C)C 1458a_200011297150_100000210624 [0,2,0,0,0,0|1,0,1]=4 7228 B11R0.68 CCCNC(=O)C(C)CN(C)C 1626a_100020643023_200015186601 [0,2,0,0,0,0|2,0,0]=4 7229 B11R0.68 CCCNC(=O)C(C)CN(C)C 240690a_100020643023_200015186601 [0,2,0,0,0,0|2,0,0]=4 7230 B11R0.68 CCCNC(=O)C(C)NC(C)C 2230a_100025744714_100000210206 [0,2,0,0,0,0|2,0,0]=4 7231 B11R0.68 CCCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230305 [0,2,0,0,0,0|2,0,0]=4 7232 B11R0.68 CCCNC(=O)C(C)NC(C)C 34a_100025744714_100000210206 [0,2,0,0,0,0|2,0,0]=4 7233 B11R0.68 CCCNC(=O)C(C)NC(C)C 34a_100138425928_100000230305 [0,2,0,0,0,0|2,0,0]=4 7234 B11R0.68 CCCNC(=O)C(C)OC(C)C 34a_100000212225_100000230305 [0,2,0,0,0,0|2,0,0]=4 7235 B11R0.68 CCCNC(=O)C(C)SC(C)C 62a_100000210206_100000230305 [0,2,0,0,0,0|2,0,0]=4 7236 B11R0.68 CCCNC(=O)C(C)SC(C)C 62a_100000230305_100000210206 [0,2,0,0,0,0|2,0,0]=4 7237 B11R0.68 CCCNC(=O)N(C)CC(C)C 2708a_100020643023_100000747067 [0,2,0,0,0,0|2,0,0]=4 7238 B11R0.68 CCCNC(=O)N(C)CC(C)C 273464a_100020643023_100000747067 [0,2,0,0,0,0|2,0,0]=4 7239 B11R0.68 CCCNC(=O)[C@@H](O)CC(C)C 1626a_100020643023_100012027011 [0,2,0,0,0,0|1,0,0]=3 7240 B11R0.68 CCCNC(=O)[C@@H](O)CC(C)C 240690a_100020643023_100012027011 [0,2,0,0,0,0|1,0,0]=3 7241 B11R0.68 CCCOC(=O)C(C)NC(C)C 2230a_100138425928_100000760410 [0,2,0,0,0,0|1,0,0]=3 7242 B11R0.68 CCCOC(=O)C(C)NC(C)C 34a_100138425928_100000760410 [0,2,0,0,0,0|1,0,0]=3 7243 B11R0.68 CCCOC(=O)C(C)OC(C)C 34a_100000037348_100000210206 [0,2,0,0,0,0|1,0,0]=3 7244 B11R0.68 CCCOC(=O)C(C)OC(C)C 34a_100000212225_100000760410 [0,2,0,0,0,0|1,0,0]=3 7245 B11R0.68 CCCOC(=O)C(C)OC(C)C 7a_100000037348_100000210206 [0,2,0,0,0,0|1,0,0]=3 7246 B11R0.68 CCCOC(=O)C(C)SC(C)C 62a_100000210206_100000760410 [0,2,0,0,0,0|1,0,0]=3 7247 B11R0.68 CCCOC(=O)C(C)SC(C)C 62a_100000760410_100000210206 [0,2,0,0,0,0|1,0,0]=3 7248 B11R0.68 CCNNC(=O)C(C)CN(C)C 22a_100000756455_200015186601 [0,2,0,0,0,0|2,0,0]=4 7249 B11R0.68 CCNNC(=O)[C@@H](O)CC(C)C 22a_100000756455_100012027011 [0,2,0,0,0,0|1,0,0]=3 7250 B11R0.68 CCOCC(=O)C(C)CC(C)C 1458a_100000211967_100000731052 [0,2,0,0,0,0|0,0,0]=2 7251 B11R0.68 CCOCC(=O)N(C)CC(C)C 11a_100000747067_100000211967 [0,2,0,0,0,0|1,0,0]=3 7252 B11R0.68 CCOCC(=O)N(C)CC(C)C 1626a_100000747067_100000211967 [0,2,0,0,0,0|1,0,0]=3 7253 B11R0.68 CCOCC(=O)N(C)CC(C)C 240690a_100000747067_100000211967 [0,2,0,0,0,0|1,0,0]=3 7254 B11R0.68 CCOCC(=O)N(C)CC(C)C 527a_100000747067_100000211967 [0,2,0,0,0,0|1,0,0]=3 7255 B11R0.68 CCOCC(=O)N(C)CC(C)O 240690a_100000227577_100000211967 [0,2,0,0,0,0|2,0,0]=4 7256 B11R0.68 CCOCC(=O)N(C)CC(C)O 527a_100000227577_100000211967 [0,2,0,0,0,0|2,0,0]=4 7257 B11R0.68 CCOCN(C)C(C)CC(C)C 269982a_100000745462_100000739092 [0,2,0,0,0,0|2,0,0]=4 7258 B11R0.68 CCSCC(=O)C(C)CC(C)C 1458a_100000230394_100000731052 [0,2,0,0,0,0|0,1,0]=3 7259 B11R0.68 CCSCC(=O)N(C)CC(C)C 11a_100000747067_100000230394 [0,2,0,0,0,0|1,1,0]=4 7260 B11R0.68 CCSCC(=O)N(C)CC(C)C 1626a_100000747067_100000230394 [0,2,0,0,0,0|1,1,0]=4 7261 B11R0.68 CCSCC(=O)N(C)CC(C)C 240690a_100000747067_100000230394 [0,2,0,0,0,0|1,1,0]=4 7262 B11R0.68 CCSCC(=O)N(C)CC(C)C 527a_100000747067_100000230394 [0,2,0,0,0,0|1,1,0]=4 7263 B11R0.68 COC=CC(=O)C(C)CC(C)C 1458a_100016268678_100000731052 [0,2,0,0,0,0|1,0,1]=4 7264 B11R0.68 COCCC(=O)C(C)CC(C)C 1458a_100000749529_100000731052 [0,2,0,0,0,0|1,0,0]=3 7265 B11R0.68 COCCC(=O)C(C)CN(C)C 1458a_200015186601_100000233755 [0,2,0,0,0,0|2,0,0]=4 7266 B11R0.68 COCCC(=O)N(C)CC(C)C 11a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 7267 B11R0.68 COCCC(=O)N(C)CC(C)C 1626a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 7268 B11R0.68 COCCC(=O)N(C)CC(C)C 240690a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 7269 B11R0.68 COCCC(=O)N(C)CC(C)C 527a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 7270 B11R0.68 COCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000233755 [0,2,0,0,0,0|1,0,0]=3 7271 B11R0.68 CSCCC(=O)C(C)CC(C)C 1458a_100000174002_100000731052 [0,2,0,0,0,0|1,0,0]=3 7272 B11R0.68 CSCCC(=O)C(C)CN(C)C 1458a_200015186601_100000751147 [0,2,0,0,0,0|2,0,0]=4 7273 B11R0.68 CSCCC(=O)N(C)CC(C)C 11a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 7274 B11R0.68 CSCCC(=O)N(C)CC(C)C 1626a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 7275 B11R0.68 CSCCC(=O)N(C)CC(C)C 240690a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 7276 B11R0.68 CSCCC(=O)N(C)CC(C)C 527a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 7277 B11R0.68 CSCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000751147 [0,2,0,0,0,0|1,0,0]=3 7278 B11R0.149 C=C(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748629 [0,2,0,0,0,0|1,0,1]=4 7279 B11R0.149 CC(=CC(=O)C(C)CC(C)C)C 1458a_100000211388_100000731052 [0,2,0,0,0,0|1,0,1]=4 7280 B11R0.149 CC(=CC(=O)C(C)CC(C)C)Cl 1458a_200042562850_100000731052 [0,2,0,0,0,0|1,0,1]=4 7281 B11R0.149 CC(=CC(=O)C(C)CC(C)C)I 1458a_100025716642_100000731052 [0,2,0,0,0,0|1,0,1]=4 7282 B11R0.149 CC(C)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000210624 [0,2,0,0,0,0|1,0,1]=4 7283 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,2,0,0,0,0|1,0,0]=3 7284 B11R0.149 CC(C)CC(=O)C(C)CN(C)C 1458a_200015186601_100000210624 [0,2,0,0,0,0|2,0,0]=4 7285 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 11a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 7286 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 1626a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 7287 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 240690a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 7288 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 527a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 7289 B11R0.149 CC(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210624 [0,2,0,0,0,0|1,0,0]=3 7290 B11R0.149 CC(C)CC(C)C(=O)CN(C)C 1458a_100000750896_100000731052 [0,2,0,0,0,0|2,0,0]=4 7291 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,2,0,0,0,0|1,0,0]=3 7292 B11R0.149 CC(C)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000731052 [0,2,0,0,0,0|2,0,0]=4 7293 B11R0.149 CC(C)CN(C)C(=O)C[C@@H](C)O 240690a_100000747067_100011933948 [0,2,0,0,0,0|2,0,0]=4 7294 B11R0.149 CC(C)CN(C)C(=O)NC(C)C 2708a_100138425928_100000747067 [0,2,0,0,0,0|2,0,0]=4 7295 B11R0.149 CC(C)CN(C)C(=O)NC(C)C 273464a_100138425928_100000747067 [0,2,0,0,0,0|2,0,0]=4 7296 B11R0.149 CC(C)C[C@H](O)C(=O)CC(C)O 1458a_100012027011_100011218427 [0,2,0,0,0,0|1,0,0]=3 7297 B11R0.149 CC(C)C[C@H](O)C(=O)CC(F)F 1458a_100012027011_100011934356 [0,2,0,0,0,0|2,0,0]=4 7298 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 1626a_100138425928_100012027011 [0,2,0,0,0,0|1,0,0]=3 7299 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 240690a_100138425928_100012027011 [0,2,0,0,0,0|1,0,0]=3 7300 B11R0.149 CC(C)NC(=O)C(C)CN(C)C 1626a_100138425928_200015186601 [0,2,0,0,0,0|2,0,0]=4 7301 B11R0.149 CC(C)NC(=O)C(C)CN(C)C 240690a_100138425928_200015186601 [0,2,0,0,0,0|2,0,0]=4 7302 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 2230a_100015205314_100000210206 [0,2,0,0,0,0|2,0,0]=4 7303 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 2230a_100138425928_100000195394 [0,2,0,0,0,0|2,0,0]=4 7304 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 34a_100015205314_100000210206 [0,2,0,0,0,0|2,0,0]=4 7305 B11R0.149 CC(C)NC(=O)C(C)NC(C)C 34a_100138425928_100000195394 [0,2,0,0,0,0|2,0,0]=4 7306 B11R0.149 CC(C)NC(=O)C(C)OC(C)C 34a_100000212225_100000195394 [0,2,0,0,0,0|2,0,0]=4 7307 B11R0.149 CC(C)NC(=O)C(C)SC(C)C 62a_100000195394_100000210206 [0,2,0,0,0,0|2,0,0]=4 7308 B11R0.149 CC(C)NC(=O)C(C)SC(C)C 62a_100000210206_100000195394 [0,2,0,0,0,0|2,0,0]=4 7309 B11R0.149 CC(C)OC(=O)[C@@H](C)OC(C)C 34a_100015307928_100000210206 [0,2,0,0,0,0|1,0,0]=3 7310 B11R0.149 CC(C)OC(=O)[C@@H](C)OC(C)C 7a_100015307928_100000210206 [0,2,0,0,0,0|1,0,0]=3 7311 B11R0.149 CC(O)CC(=O)C(C)CN(C)C 1458a_200015186601_100011218427 [0,2,0,0,0,0|2,0,0]=4 7312 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 11a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 7313 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 1626a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 7314 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 240690a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 7315 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 527a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 7316 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 1626a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 7317 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 240690a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 7318 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 527a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 7319 B11R0.186 CCNC(=O)C(C)NC(C)(C)C 2230a_100000715429_100000230173 [0,2,0,0,0,0|2,0,0]=4 7320 B11R0.186 CCNC(=O)C(C)NC(C)(C)C 34a_100000736553_100000210625 [0,2,0,0,0,0|2,0,0]=4 7321 B11R0.186 CCNC(=O)C(C)OC(C)(C)C 34a_100015890283_100000230173 [0,2,0,0,0,0|2,0,0]=4 7322 B11R0.186 CCNC(=O)C(C)OC(C)(C)C 7a_100015890283_100000230173 [0,2,0,0,0,0|2,0,0]=4 7323 B11R0.186 CCNC(=O)C(C)SC(C)(C)C 62a_100000211941_100000230173 [0,2,0,0,0,0|2,0,0]=4 7324 B11R0.186 CCNC(=O)C(C)SC(C)(C)C 62a_100000230173_100000211941 [0,2,0,0,0,0|2,0,0]=4 7325 B11R0.186 CCNC(=O)N(C)CC(C)(C)C 2708a_100015525214_100000742839 [0,2,0,0,0,0|2,0,0]=4 7326 B11R0.186 CCNC(=O)N(C)CC(C)(C)C 273464a_100015525214_100000742839 [0,2,0,0,0,0|2,0,0]=4 7327 B11R0.186 CCNC(=O)N(C)CC(C)(C)O 2708a_100015525214_100000755907 [0,2,0,0,0,0|2,0,0]=4 7328 B11R0.186 CCNC(=O)N(C)CC(C)(C)O 273464a_100015525214_100000755907 [0,2,0,0,0,0|2,0,0]=4 7329 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C 11a_100000715429_100014798877 [0,2,0,0,0,0|1,0,1]=4 7330 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C 1626a_100000715429_100014798877 [0,2,0,0,0,0|1,0,1]=4 7331 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C 240690a_100000715429_100014798877 [0,2,0,0,0,0|1,0,1]=4 7332 B11R0.186 CCOC(=O)C(C)NC(C)(C)C 2230a_100000715429_100011215307 [0,2,0,0,0,0|1,0,0]=3 7333 B11R0.186 CCOC(=O)C(C)OC(C)(C)C 34a_100015890283_100011216346 [0,2,0,0,0,0|1,0,0]=3 7334 B11R0.186 CCOC(=O)C(C)OC(C)(C)C 7a_100015890283_100011216346 [0,2,0,0,0,0|1,0,0]=3 7335 B11R0.186 CCOC(=O)C(C)SC(C)(C)C 62a_100000211941_100011216346 [0,2,0,0,0,0|1,0,0]=3 7336 B11R0.186 CCOC(=O)C(C)SC(C)(C)C 62a_100011216346_100000211941 [0,2,0,0,0,0|1,0,0]=3 7337 B11R0.186 CCOC(=O)C(F)NC(C)(C)C 2230a_100000715429_100000760018 [0,2,0,0,0,0|1,0,0]=3 7338 B11R0.186 CCOC(=O)C(F)OC(C)(C)C 34a_100015890283_100000760018 [0,2,0,0,0,0|1,0,0]=3 7339 B11R0.186 CCOC(=O)C(F)OC(C)(C)C 7a_100015890283_100000040065 [0,2,0,0,0,0|1,0,0]=3 7340 B11R0.186 CCOC(=O)C(F)SC(C)(C)C 62a_100000211941_100000760018 [0,2,0,0,0,0|1,0,0]=3 7341 B11R0.186 CCOC(=O)C(F)SC(C)(C)C 62a_100000760018_100000211941 [0,2,0,0,0,0|1,0,0]=3 7342 B11R0.240 CC(C)CC(C)(O)C(=O)CCF 1458a_100011434877_100011217306 [0,2,0,0,0,0|2,0,0]=4 7343 B11R0.240 CC(C)CC(C)(O)C(=O)CCO 1458a_100011434877_100000211926 [0,2,0,0,0,0|2,0,0]=4 7344 B11R0.240 CCCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210303 [0,2,0,0,0,0|1,0,0]=3 7345 B11R0.240 CCNC(=O)C(C)(C)CN(C)C 269982a_100102631434_100011895991 [0,2,0,0,0,0|2,0,0]=4 7346 B11R0.240 CCNC(=O)C(C)(O)CC(C)C 240690a_100015525214_100011434877 [0,2,0,0,0,0|1,0,0]=3 7347 B11R0.240 CCOC(=O)C(C)(C)CN(C)C 2230a_100102631434_100011219049 [0,2,0,0,0,0|1,0,0]=3 7348 B11R0.240 CCOC(=O)C(C)(C)NC(C)C 2230a_100138425928_100011216345 [0,2,0,0,0,0|1,0,0]=3 7349 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 34a_100000686869_100000210206 [0,2,0,0,0,0|1,0,0]=3 7350 B11R0.240 CCOC(=O)C(C)(C)OC(C)C 7a_100000686869_100000210206 [0,2,0,0,0,0|1,0,0]=3 7351 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100000210206_100011216345 [0,2,0,0,0,0|1,0,0]=3 7352 B11R0.240 CCOC(=O)C(C)(C)SC(C)C 62a_100011216345_100000210206 [0,2,0,0,0,0|1,0,0]=3 7353 B11R0.240 CCOC(=O)C(F)(F)NC(C)C 34a_100138425928_100000210910 [0,2,0,0,0,0|1,0,0]=3 7354 B11R0.240 CCOC(=O)C(F)(F)OC(C)C 34a_100000212225_100000210910 [0,2,0,0,0,0|1,0,0]=3 7355 B11R0.240 CCOC(=O)C(F)(F)SC(C)C 62a_100000210206_100000210910 [0,2,0,0,0,0|1,0,0]=3 7356 B11R0.240 CCOC(=O)C(F)(F)SC(C)C 62a_100000210910_100000210206 [0,2,0,0,0,0|1,0,0]=3 7357 B11R0.240 CNNC(=O)C(C)(O)CC(C)C 22a_100016993582_100011434877 [0,2,0,0,0,0|2,0,0]=4 7358 B11R0.120 CCC(C)C(=O)CCN(C)CC 1458a_100000755305_100000758301 [0,2,0,0,0,0|2,0,0]=4 7359 B11R0.120 CCC(C)C(=O)NCC(C)CO 240690a_100000744482_100011192722 [0,2,0,0,0,0|2,0,0]=4 7360 B11R0.120 CCC(C)C(=O)NCC(C)CO 527a_100000744482_100011192722 [0,2,0,0,0,0|2,0,0]=4 7361 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100011192722 [0,2,0,0,0,0|2,0,0]=4 7362 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100011192722 [0,2,0,0,0,0|2,0,0]=4 7363 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 240690a_100020591295_100011192722 [0,2,0,0,0,0|2,0,0]=4 7364 B11R0.120 CCC(C)C(=O)NC[C@@H](C)OC 527a_100020591295_100011192722 [0,2,0,0,0,0|2,0,0]=4 7365 B11R0.120 CCC(C)CCC(=O)C(C)CC 1458a_100000701222_100000758301 [0,2,0,0,0,0|1,0,0]=3 7366 B11R0.120 CCC(C)CCC(=O)N(C)CC 11a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 7367 B11R0.120 CCC(C)CCC(=O)N(C)CC 1626a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 7368 B11R0.120 CCC(C)CCC(=O)N(C)CC 240690a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 7369 B11R0.120 CCC(C)CCC(=O)N(C)CC 527a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 7370 B11R0.120 CCC(C)CNC(=O)C(C)CC 11a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 7371 B11R0.120 CCC(C)CNC(=O)C(C)CC 1626a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 7372 B11R0.120 CCC(C)CNC(=O)C(C)CC 240690a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 7373 B11R0.120 CCC(C)CNC(=O)C(C)CC 527a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 7374 B11R0.120 CCC(C)CNC(=O)C(O)CC 240690a_100020588543_100011196387 [0,2,0,0,0,0|2,0,0]=4 7375 B11R0.120 CCC(C)CNC(=O)N(C)CC 2708a_100020588543_100000225621 [0,2,0,0,0,0|2,0,0]=4 7376 B11R0.120 CCC(C)CNC(=O)N(C)CC 273464a_100020588543_100000225621 [0,2,0,0,0,0|2,0,0]=4 7377 B11R0.120 CCC(C)NCC(=O)N(C)CC 2230a_100000209981_100000738999 [0,2,0,0,0,0|2,0,0]=4 7378 B11R0.120 CCC(C)OCC(=O)N(C)CC 7a_100000210228_100000738999 [0,2,0,0,0,0|2,0,0]=4 7379 B11R0.120 CCC(C)SCC(=O)N(C)CC 62a_100000738999_100000758301 [0,2,0,0,0,0|2,0,0]=4 7380 B11R0.120 CCC(C)SCC(=O)N(C)CC 62a_100000758301_100000738999 [0,2,0,0,0,0|2,0,0]=4 7381 B11R0.120 CCC(O)C(=O)NCC(C)CO 240690a_100000744482_100011196387 [0,2,0,0,0,0|2,0,0]=4 7382 B11R0.120 CCC(O)C(=O)NC[C@@H](C)OC 240690a_100020591295_100011196387 [0,2,0,0,0,0|2,0,0]=4 7383 B11R0.120 CCC(O)CCC(=O)N(C)CC 1626a_100000225621_203496584001 [0,2,0,0,0,0|2,0,0]=4 7384 B11R0.120 CCC(O)CCC(=O)N(C)CC 240690a_100000225621_203496584001 [0,2,0,0,0,0|2,0,0]=4 7385 B11R0.120 CCN(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000738999 [0,2,0,0,0,0|2,0,0]=4 7386 B11R0.120 CCN(C)C(=O)COC(C)CF 34a_100016041109_100000738999 [0,2,0,0,0,0|2,0,0]=4 7387 B11R0.120 CCN(C)C(=O)COC(C)CF 7a_100016041109_100000738999 [0,2,0,0,0,0|2,0,0]=4 7388 B11R0.120 CCN(C)C(=O)COC(C)CN 34a_100000210904_100000738999 [0,2,0,0,0,0|2,0,0]=4 7389 B11R0.120 CCN(C)C(=O)CSC(C)CO 62a_100012180447_100000738999 [0,2,0,0,0,0|2,0,0]=4 7390 B11R0.120 CCN(C)C(=O)CSC(C)OC 62a_100000738999_100009879195 [0,2,0,0,0,0|2,0,0]=4 7391 B11R0.120 CCN(C)C(=O)CSC(C)OC 62a_100009879195_100000738999 [0,2,0,0,0,0|2,0,0]=4 7392 B11R0.120 CCN(C)C(=O)CS[C@H](C)CO 62a_100000738999_100016084084 [0,2,0,0,0,0|2,0,0]=4 7393 B11R0.120 CCN(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000738999 [0,2,0,0,0,0|2,0,0]=4 7394 B11R0.120 CCN(C)C(=O)NCC(C)CO 273464a_100000744482_100000225621 [0,2,0,0,0,0|2,0,0]=4 7395 B11R0.120 CCN(C)C(=O)NC[C@@H](C)OC 2708a_100020591295_100000225621 [0,2,0,0,0,0|2,0,0]=4 7396 B11R0.120 CCN(C)C(=O)NC[C@@H](C)OC 273464a_100020591295_100000225621 [0,2,0,0,0,0|2,0,0]=4 7397 B11R0.120 CCN(C)CCC(=O)N(C)CC 240690a_100000225621_100000755305 [0,2,0,0,0,0|2,0,0]=4 7398 B11R0.129 CC(C)CCC(=O)C(C)(C)CF 1458a_100000138116_100000210312 [0,2,0,0,0,0|2,0,0]=4 7399 B11R0.129 CC(C)CCC(=O)C(C)(C)CO 1458a_100000749806_100000210312 [0,2,0,0,0,0|2,0,0]=4 7400 B11R0.129 CCC(C)(C)C(=O)CCC(C)C 1458a_100000749717_100000210312 [0,2,0,0,0,0|1,0,0]=3 7401 B11R0.129 CCC(C)(C)C(=O)CCC(C)O 1458a_100000749717_100012276601 [0,2,0,0,0,0|2,0,0]=4 7402 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 11a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 7403 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 1626a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 7404 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 240690a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 7405 B11R0.129 CCC(C)(C)C(=O)NCC(C)C 527a_100000210953_100000749717 [0,2,0,0,0,0|2,0,0]=4 7406 B11R0.129 CCC(C)(O)C(=O)CCC(C)C 1458a_100011219770_100000210312 [0,2,0,0,0,0|1,0,0]=3 7407 B11R0.129 CCC(C)(O)C(=O)CCC(C)O 1458a_100011219770_100012276601 [0,2,0,0,0,0|2,0,0]=4 7408 B11R0.129 CCC(C)(O)C(=O)NCC(C)C 240690a_100000210953_100011219770 [0,2,0,0,0,0|2,0,0]=4 7409 B11R0.129 CCC(F)(F)C(=O)CCC(C)C 1458a_100000061896_100000210312 [0,2,0,0,0,0|1,0,0]=3 7410 B11R0.129 CCC(F)(F)C(=O)CCC(C)O 1458a_100000061896_100012276601 [0,2,0,0,0,0|2,0,0]=4 7411 B11R0.129 CCC(F)(F)C(=O)NCC(C)C 11a_100000210953_100000061896 [0,2,0,0,0,0|2,0,0]=4 7412 B11R0.129 CCC(F)(F)C(=O)NCC(C)C 1626a_100000210953_100000061896 [0,2,0,0,0,0|2,0,0]=4 7413 B11R0.129 CCC(F)(F)C(=O)NCC(C)C 240690a_100000210953_100000061896 [0,2,0,0,0,0|2,0,0]=4 7414 B11R0.129 CCC(F)(F)C(=O)NCC(C)C 527a_100000210953_100000061896 [0,2,0,0,0,0|2,0,0]=4 7415 B11R0.129 COC(C)(C)C(=O)CCC(C)C 1458a_100000753492_100000210312 [0,2,0,0,0,0|2,0,0]=4 7416 B11R0.171 CCC(CC)C(=O)CCC(C)C 1458a_100000181311_100000210505 [0,2,0,0,0,0|1,0,0]=3 7417 B11R0.171 CCC(CC)C(=O)CCC(C)C 1458a_100000211163_100000210312 [0,2,0,0,0,0|1,0,0]=3 7418 B11R0.171 CCC(CC)C(=O)CCC(C)O 1458a_100000211163_100012276601 [0,2,0,0,0,0|2,0,0]=4 7419 B11R0.171 CCC(CC)C(=O)CC[S+](C)C 1458a_100009452791_100000210505 [0,2,0,0,0,0|2,0,0]=4 7420 B11R0.171 CCC(CC)C(=O)COC(C)C 1458a_100000745533_100000210505 [0,2,0,0,0,0|2,0,0]=4 7421 B11R0.171 CCC(CC)C(=O)CSC(C)C 1458a_100000241585_100000210505 [0,2,0,0,0,0|2,0,0]=4 7422 B11R0.171 CCC(CC)C(=O)NCC(C)C 11a_100000210953_100000211163 [0,2,0,0,0,0|2,0,0]=4 7423 B11R0.171 CCC(CC)C(=O)NCC(C)C 1626a_100000210953_100000211163 [0,2,0,0,0,0|2,0,0]=4 7424 B11R0.171 CCC(CC)C(=O)NCC(C)C 240690a_100000210953_100000211163 [0,2,0,0,0,0|2,0,0]=4 7425 B11R0.171 CCC(CC)C(=O)NCC(C)C 527a_100000210953_100000211163 [0,2,0,0,0,0|2,0,0]=4 7426 B11R0.171 CCC(OC)C(=O)CCC(C)C 1458a_100000747056_100000210312 [0,2,0,0,0,0|1,0,0]=3 7427 B11R0.171 CCC(OC)C(=O)CCC(C)O 1458a_100000747056_100012276601 [0,2,0,0,0,0|2,0,0]=4 7428 B11R0.171 CCC(OC)C(=O)NCC(C)C 11a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 7429 B11R0.171 CCC(OC)C(=O)NCC(C)C 1626a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 7430 B11R0.171 CCC(OC)C(=O)NCC(C)C 240690a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 7431 B11R0.171 CCC(OC)C(=O)NCC(C)C 527a_100000210953_100000747056 [0,2,0,0,0,0|2,0,0]=4 7432 B11R0.171 CCN(CC)C(=O)CCC(C)C 11a_100000724800_100000181311 [0,2,0,0,0,0|1,0,0]=3 7433 B11R0.171 CCN(CC)C(=O)CCC(C)C 1626a_100000724800_100000181311 [0,2,0,0,0,0|1,0,0]=3 7434 B11R0.171 CCN(CC)C(=O)CCC(C)C 240690a_100000724800_100000181311 [0,2,0,0,0,0|1,0,0]=3 7435 B11R0.171 CCN(CC)C(=O)CCC(C)C 527a_100000724800_100000181311 [0,2,0,0,0,0|1,0,0]=3 7436 B11R0.171 CCN(CC)C(=O)CCC(C)O 1626a_100000724800_100000718519 [0,2,0,0,0,0|2,0,0]=4 7437 B11R0.171 CCN(CC)C(=O)CCN(C)C 11a_100000724800_100000689311 [0,2,0,0,0,0|2,0,0]=4 7438 B11R0.171 CCN(CC)C(=O)CCN(C)C 2230a_100102631434_100011194432 [0,2,0,0,0,0|2,0,0]=4 7439 B11R0.171 CCN(CC)C(=O)CCN(C)C 240690a_100000724800_100000689311 [0,2,0,0,0,0|2,0,0]=4 7440 B11R0.171 CCN(CC)C(=O)CCN(C)C 269982a_100102631434_100011194432 [0,2,0,0,0,0|2,0,0]=4 7441 B11R0.171 CCN(CC)C(=O)CCN(C)C 527a_100000724800_100000689311 [0,2,0,0,0,0|2,0,0]=4 7442 B11R0.171 CCN(CC)C(=O)CC[S+](C)C 11a_100000724800_100009452791 [0,2,0,0,0,0|2,0,0]=4 7443 B11R0.171 CCN(CC)C(=O)CC[S+](C)C 1626a_100000724800_100009452791 [0,2,0,0,0,0|2,0,0]=4 7444 B11R0.171 CCN(CC)C(=O)CC[S+](C)C 240690a_100000724800_100009452791 [0,2,0,0,0,0|2,0,0]=4 7445 B11R0.171 CCN(CC)C(=O)CNC(C)C 2230a_100000174916_100000210206 [0,2,0,0,0,0|2,0,0]=4 7446 B11R0.171 CCN(CC)C(=O)CNC(C)C 2230a_100138425928_100000211521 [0,2,0,0,0,0|2,0,0]=4 7447 B11R0.171 CCN(CC)C(=O)CNC(C)C 34a_100138425928_100000211521 [0,2,0,0,0,0|2,0,0]=4 7448 B11R0.171 CCN(CC)C(=O)COC(C)C 11a_100000724800_100000745533 [0,2,0,0,0,0|2,0,0]=4 7449 B11R0.171 CCN(CC)C(=O)COC(C)C 1626a_100000724800_100000745533 [0,2,0,0,0,0|2,0,0]=4 7450 B11R0.171 CCN(CC)C(=O)COC(C)C 240690a_100000724800_100000745533 [0,2,0,0,0,0|2,0,0]=4 7451 B11R0.171 CCN(CC)C(=O)COC(C)C 34a_100000212225_100000211521 [0,2,0,0,0,0|2,0,0]=4 7452 B11R0.171 CCN(CC)C(=O)COC(C)C 527a_100000724800_100000745533 [0,2,0,0,0,0|2,0,0]=4 7453 B11R0.171 CCN(CC)C(=O)COC(C)C 7a_200000238847_100000210206 [0,2,0,0,0,0|2,0,0]=4 7454 B11R0.171 CCN(CC)C(=O)CSC(C)C 11a_100000724800_100000241585 [0,2,0,0,0,0|2,0,0]=4 7455 B11R0.171 CCN(CC)C(=O)CSC(C)C 1626a_100000724800_100000241585 [0,2,0,0,0,0|2,0,0]=4 7456 B11R0.171 CCN(CC)C(=O)CSC(C)C 240690a_100000724800_100000241585 [0,2,0,0,0,0|2,0,0]=4 7457 B11R0.171 CCN(CC)C(=O)CSC(C)C 527a_100000724800_100000241585 [0,2,0,0,0,0|2,0,0]=4 7458 B11R0.171 CCN(CC)C(=O)CSC(C)C 62a_100000210206_100000211521 [0,2,0,0,0,0|2,0,0]=4 7459 B11R0.171 CCN(CC)C(=O)CSC(C)C 62a_100000211521_100000210206 [0,2,0,0,0,0|2,0,0]=4 7460 B11R0.171 CCN(CC)C(=O)NCC(C)C 2708a_100000210953_100000724800 [0,2,0,0,0,0|2,0,0]=4 7461 B11R0.171 CCN(CC)C(=O)NCC(C)C 273464a_100000210953_100000724800 [0,2,0,0,0,0|2,0,0]=4 7462 B11R0.171 COC(OC)C(=O)CCC(C)C 1458a_100000046285_100000210312 [0,2,0,0,0,0|2,0,0]=4 7463 B11R0.173 CC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000179758 [0,2,0,0,0,0|1,0,1]=4 7464 B11R0.173 CC(C)CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210312 [0,2,0,0,0,0|2,0,0]=4 7465 B11R0.173 CC(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000210312 [0,2,0,0,0,0|1,0,0]=3 7466 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 11a_200000211004_100000181311 [0,2,0,0,0,0|1,0,0]=3 7467 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 1626a_200000211004_100000181311 [0,2,0,0,0,0|1,0,0]=3 7468 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 240690a_200000211004_100000181311 [0,2,0,0,0,0|1,0,0]=3 7469 B11R0.173 CC(C)CCC(=O)N(C)C(C)C 527a_200000211004_100000181311 [0,2,0,0,0,0|1,0,0]=3 7470 B11R0.173 CC(C)CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210312 [0,2,0,0,0,0|2,0,0]=4 7471 B11R0.173 CC(C)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210312 [0,2,0,0,0,0|1,0,0]=3 7472 B11R0.173 CC(C)CNC(=O)C(=O)C(C)C 1458a_200011297155_100000210206 [0,2,0,0,0,0|2,0,0]=4 7473 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 11a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 7474 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 1626a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 7475 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 240690a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 7476 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 527a_100000210953_100000755409 [0,2,0,0,0,0|2,0,0]=4 7477 B11R0.173 CC(C)CNC(=O)N(C)C(C)C 2708a_100000210953_200000211004 [0,2,0,0,0,0|2,0,0]=4 7478 B11R0.173 CC(C)CNC(=O)N(C)C(C)C 273464a_100000210953_200000211004 [0,2,0,0,0,0|2,0,0]=4 7479 B11R0.173 CC(C)CNC(=O)[C@H](O)C(C)C 240690a_100000210953_100000691806 [0,2,0,0,0,0|2,0,0]=4 7480 B11R0.173 CC(C)N(C)C(=O)CCN(C)C 11a_200000211004_100000689311 [0,2,0,0,0,0|2,0,0]=4 7481 B11R0.173 CC(C)N(C)C(=O)CCN(C)C 240690a_200000211004_100000689311 [0,2,0,0,0,0|2,0,0]=4 7482 B11R0.173 CC(C)N(C)C(=O)CCN(C)C 527a_200000211004_100000689311 [0,2,0,0,0,0|2,0,0]=4 7483 B11R0.173 CC(C)N(C)C(=O)CC[S+](C)C 11a_200000211004_100009452791 [0,2,0,0,0,0|2,0,0]=4 7484 B11R0.173 CC(C)N(C)C(=O)CC[S+](C)C 1626a_200000211004_100009452791 [0,2,0,0,0,0|2,0,0]=4 7485 B11R0.173 CC(C)N(C)C(=O)CC[S+](C)C 240690a_200000211004_100009452791 [0,2,0,0,0,0|2,0,0]=4 7486 B11R0.173 CC(C)NCC(=O)N(C)C(C)C 2230a_100138425928_100000230190 [0,2,0,0,0,0|2,0,0]=4 7487 B11R0.173 CC(C)NCC(=O)N(C)C(C)C 34a_100138425928_100000230190 [0,2,0,0,0,0|2,0,0]=4 7488 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 11a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 7489 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 1626a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 7490 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 240690a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 7491 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 34a_100000212225_100000230190 [0,2,0,0,0,0|2,0,0]=4 7492 B11R0.173 CC(C)OCC(=O)N(C)C(C)C 527a_200000211004_100000745533 [0,2,0,0,0,0|2,0,0]=4 7493 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 11a_200000211004_100000241585 [0,2,0,0,0,0|2,0,0]=4 7494 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 1626a_200000211004_100000241585 [0,2,0,0,0,0|2,0,0]=4 7495 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 240690a_200000211004_100000241585 [0,2,0,0,0,0|2,0,0]=4 7496 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 527a_200000211004_100000241585 [0,2,0,0,0,0|2,0,0]=4 7497 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 62a_100000210206_100000230190 [0,2,0,0,0,0|2,0,0]=4 7498 B11R0.173 CC(C)SCC(=O)N(C)C(C)C 62a_100000230190_100000210206 [0,2,0,0,0,0|2,0,0]=4 7499 B11R0.173 CC(O)CCC(=O)C(C)C(C)C 1458a_100000755409_100012276601 [0,2,0,0,0,0|2,0,0]=4 7500 B11R0.173 CC(O)CCC(=O)N(C)C(C)C 1626a_200000211004_100000718519 [0,2,0,0,0,0|2,0,0]=4 7501 B11R0.173 CC(O)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100012276601 [0,2,0,0,0,0|2,0,0]=4 7502 B11R0.288 CCN(C)S(=O)(=O)CCC(C)C 270084a_100000225621_100000750698 [0,2,0,0,0,0|2,0,0]=4 7503 B11R0.288 CCN(C)S(=O)(=O)CCC(C)C 274078a_100000225621_100000750698 [0,2,0,0,0,0|2,0,0]=4 7504 B11R0.290 C/C=C(\C)/C(=O)CCC(C)(C)C 1458a_100020587367_100000755188 [0,2,0,0,0,0|1,0,1]=4 7505 B11R0.290 CC(C)(C)CCC(=O)C(O)CO 1458a_100011215603_100000755188 [0,2,0,0,0,0|2,0,0]=4 7506 B11R0.290 CCC(C)C(=O)CCC(C)(C)C 1458a_100000757465_100000758301 [0,2,0,0,0,0|1,0,0]=3 7507 B11R0.290 CCC(C)C(=O)CCC(C)(C)C 1458a_100011192722_100000755188 [0,2,0,0,0,0|1,0,0]=3 7508 B11R0.290 CCC(C)C(=O)CCC(C)(F)F 1458a_100000030992_100000758301 [0,2,0,0,0,0|2,0,0]=4 7509 B11R0.290 CCC(C)C(=O)CC[N+](C)(C)C 1458a_100011192722_100000085578 [0,2,0,0,0,0|2,0,0]=4 7510 B11R0.290 CCC(C)C(=O)CC[Si](C)(C)C 1458a_100011192722_200000733723 [0,2,0,0,0,0|1,1,0]=4 7511 B11R0.290 CCC(C)C(=O)CC[Si](C)(C)C 1458a_100011215282_100000758301 [0,2,0,0,0,0|1,1,0]=4 7512 B11R0.290 CCC(C)C(=O)COC(C)(C)C 1458a_100000686494_100000758301 [0,2,0,0,0,0|2,0,0]=4 7513 B11R0.290 CCC(C)C(=O)NCC(C)(C)C 11a_100000743828_100011192722 [0,2,0,0,0,0|2,0,0]=4 7514 B11R0.290 CCC(C)C(=O)NCC(C)(C)C 1626a_100000743828_100011192722 [0,2,0,0,0,0|2,0,0]=4 7515 B11R0.290 CCC(C)C(=O)NCC(C)(C)C 240690a_100000743828_100011192722 [0,2,0,0,0,0|2,0,0]=4 7516 B11R0.290 CCC(C)C(=O)NCC(C)(C)C 527a_100000743828_100011192722 [0,2,0,0,0,0|2,0,0]=4 7517 B11R0.290 CCC(C)C(=O)NCC(C)(C)F 11a_100020643315_100011192722 [0,2,0,0,0,0|2,0,0]=4 7518 B11R0.290 CCC(C)C(=O)NCC(C)(C)F 1626a_100020643315_100011192722 [0,2,0,0,0,0|2,0,0]=4 7519 B11R0.290 CCC(C)C(=O)NCC(C)(C)F 240690a_100020643315_100011192722 [0,2,0,0,0,0|2,0,0]=4 7520 B11R0.290 CCC(C)C(=O)NCC(C)(C)F 527a_100020643315_100011192722 [0,2,0,0,0,0|2,0,0]=4 7521 B11R0.290 CCC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100011192722 [0,2,0,0,0,0|2,0,0]=4 7522 B11R0.290 CCC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100011192722 [0,2,0,0,0,0|2,0,0]=4 7523 B11R0.290 CCC(C)C(=O)NCC(C)(C)O 527a_100000751335_100011192722 [0,2,0,0,0,0|2,0,0]=4 7524 B11R0.290 CCC(O)C(=O)CCC(C)(C)C 1458a_100011196387_100000755188 [0,2,0,0,0,0|1,0,0]=3 7525 B11R0.290 CCC(O)C(=O)CC[N+](C)(C)C 1458a_100011196387_100000085578 [0,2,0,0,0,0|2,0,0]=4 7526 B11R0.290 CCC(O)C(=O)CC[Si](C)(C)C 1458a_100011196387_200000733723 [0,2,0,0,0,0|1,1,0]=4 7527 B11R0.290 CCC(O)C(=O)NCC(C)(C)C 240690a_100000743828_100011196387 [0,2,0,0,0,0|2,0,0]=4 7528 B11R0.290 CCC(O)C(=O)NCC(C)(C)F 240690a_100020643315_100011196387 [0,2,0,0,0,0|2,0,0]=4 7529 B11R0.290 CCC(O)C(=O)NCC(C)(C)O 240690a_100000751335_100011196387 [0,2,0,0,0,0|2,0,0]=4 7530 B11R0.290 CCN(C)C(=O)CCC(C)(C)C 11a_100000225621_100000757465 [0,2,0,0,0,0|1,0,0]=3 7531 B11R0.290 CCN(C)C(=O)CCC(C)(C)C 1626a_100000225621_100000757465 [0,2,0,0,0,0|1,0,0]=3 7532 B11R0.290 CCN(C)C(=O)CCC(C)(C)C 240690a_100000225621_100000757465 [0,2,0,0,0,0|1,0,0]=3 7533 B11R0.290 CCN(C)C(=O)CCC(C)(C)C 527a_100000225621_100000757465 [0,2,0,0,0,0|1,0,0]=3 7534 B11R0.290 CCN(C)C(=O)CCC(C)(F)F 11a_100000225621_100000030992 [0,2,0,0,0,0|2,0,0]=4 7535 B11R0.290 CCN(C)C(=O)CCC(C)(F)F 1626a_100000225621_100000030992 [0,2,0,0,0,0|2,0,0]=4 7536 B11R0.290 CCN(C)C(=O)CCC(C)(F)F 240690a_100000225621_100000030992 [0,2,0,0,0,0|2,0,0]=4 7537 B11R0.290 CCN(C)C(=O)CCC(C)(F)F 527a_100000225621_100000030992 [0,2,0,0,0,0|2,0,0]=4 7538 B11R0.290 CCN(C)C(=O)CC[Si](C)(C)C 1626a_100000225621_100011215282 [0,2,0,0,0,0|1,1,0]=4 7539 B11R0.290 CCN(C)C(=O)CC[Si](C)(C)C 240690a_100000225621_100011215282 [0,2,0,0,0,0|1,1,0]=4 7540 B11R0.290 CCN(C)C(=O)CC[Si](C)(C)C 527a_100000225621_100011215282 [0,2,0,0,0,0|1,1,0]=4 7541 B11R0.290 CCN(C)C(=O)CNC(C)(C)C 2230a_100000715429_100000738999 [0,2,0,0,0,0|2,0,0]=4 7542 B11R0.290 CCN(C)C(=O)COC(C)(C)C 11a_100000225621_100000686494 [0,2,0,0,0,0|2,0,0]=4 7543 B11R0.290 CCN(C)C(=O)COC(C)(C)C 1626a_100000225621_100000686494 [0,2,0,0,0,0|2,0,0]=4 7544 B11R0.290 CCN(C)C(=O)COC(C)(C)C 240690a_100000225621_100000686494 [0,2,0,0,0,0|2,0,0]=4 7545 B11R0.290 CCN(C)C(=O)COC(C)(C)C 34a_100015890283_100000738999 [0,2,0,0,0,0|2,0,0]=4 7546 B11R0.290 CCN(C)C(=O)COC(C)(C)C 527a_100000225621_100000686494 [0,2,0,0,0,0|2,0,0]=4 7547 B11R0.290 CCN(C)C(=O)COC(C)(C)C 7a_100015890283_100000738999 [0,2,0,0,0,0|2,0,0]=4 7548 B11R0.290 CCN(C)C(=O)CSC(C)(C)C 62a_100000211941_100000738999 [0,2,0,0,0,0|2,0,0]=4 7549 B11R0.290 CCN(C)C(=O)CSC(C)(C)C 62a_100000738999_100000211941 [0,2,0,0,0,0|2,0,0]=4 7550 B11R0.290 CCN(C)C(=O)NCC(C)(C)C 2708a_100000743828_100000225621 [0,2,0,0,0,0|2,0,0]=4 7551 B11R0.290 CCN(C)C(=O)NCC(C)(C)C 273464a_100000743828_100000225621 [0,2,0,0,0,0|2,0,0]=4 7552 B11R0.290 CCN(C)C(=O)NCC(C)(C)F 2708a_100020643315_100000225621 [0,2,0,0,0,0|2,0,0]=4 7553 B11R0.290 CCN(C)C(=O)NCC(C)(C)F 273464a_100020643315_100000225621 [0,2,0,0,0,0|2,0,0]=4 7554 B11R0.290 CNC(=O)C(=O)CCC(C)(C)C 1458a_100011218921_100000755188 [0,2,0,0,0,0|2,0,0]=4 7555 B11R0.290 COC(C)C(=O)CCC(C)(C)C 1458a_100000743197_100000755188 [0,2,0,0,0,0|2,0,0]=4 7556 B11R0.290 CSC(C)C(=O)CCC(C)(C)C 1458a_100000149566_100000755188 [0,2,0,0,0,0|2,0,0]=4 7557 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000181311_100000731252 [0,2,0,0,0,0|1,0,0]=3 7558 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000690238_100000210312 [0,2,0,0,0,0|1,0,0]=3 7559 B11R0.46 C#CCCCC(=O)CCC(C)O 1458a_100000690238_100012276601 [0,2,0,0,0,0|2,0,0]=4 7560 B11R0.46 C#CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000731252 [0,2,0,0,0,0|2,0,0]=4 7561 B11R0.46 C#CCCCC(=O)COC(C)C 1458a_100000745533_100000731252 [0,2,0,0,0,0|2,0,0]=4 7562 B11R0.46 C#CCCCC(=O)CSC(C)C 1458a_100000241585_100000731252 [0,2,0,0,0,0|2,0,0]=4 7563 B11R0.46 C#CCCCC(=O)NCC(C)C 11a_100000210953_100000690238 [0,2,0,0,0,0|2,0,0]=4 7564 B11R0.46 C#CCCCC(=O)NCC(C)C 1626a_100000210953_100000690238 [0,2,0,0,0,0|2,0,0]=4 7565 B11R0.46 C#CCCCC(=O)NCC(C)C 240690a_100000210953_100000690238 [0,2,0,0,0,0|2,0,0]=4 7566 B11R0.46 C#CCCCC(=O)NCC(C)C 527a_100000210953_100000690238 [0,2,0,0,0,0|2,0,0]=4 7567 B11R0.46 C#CCCNC(=O)CCC(C)C 11a_100000755551_100000181311 [0,2,0,0,0,0|1,0,0]=3 7568 B11R0.46 C#CCCNC(=O)CCC(C)C 1626a_100000755551_100000181311 [0,2,0,0,0,0|1,0,0]=3 7569 B11R0.46 C#CCCNC(=O)CCC(C)C 240690a_100000755551_100000181311 [0,2,0,0,0,0|1,0,0]=3 7570 B11R0.46 C#CCCNC(=O)CCC(C)C 527a_100000755551_100000181311 [0,2,0,0,0,0|1,0,0]=3 7571 B11R0.46 C#CCCNC(=O)CCC(C)O 1626a_100000755551_100000718519 [0,2,0,0,0,0|2,0,0]=4 7572 B11R0.46 C#CCCNC(=O)CCN(C)C 11a_100000755551_100000689311 [0,2,0,0,0,0|2,0,0]=4 7573 B11R0.46 C#CCCNC(=O)CCN(C)C 240690a_100000755551_100000689311 [0,2,0,0,0,0|2,0,0]=4 7574 B11R0.46 C#CCCNC(=O)CCN(C)C 527a_100000755551_100000689311 [0,2,0,0,0,0|2,0,0]=4 7575 B11R0.46 C#CCCNC(=O)CC[S+](C)C 11a_100000755551_100009452791 [0,2,0,0,0,0|2,0,0]=4 7576 B11R0.46 C#CCCNC(=O)CC[S+](C)C 1626a_100000755551_100009452791 [0,2,0,0,0,0|2,0,0]=4 7577 B11R0.46 C#CCCNC(=O)CC[S+](C)C 240690a_100000755551_100009452791 [0,2,0,0,0,0|2,0,0]=4 7578 B11R0.46 C#CCCNC(=O)COC(C)C 11a_100000755551_100000745533 [0,2,0,0,0,0|2,0,0]=4 7579 B11R0.46 C#CCCNC(=O)COC(C)C 1626a_100000755551_100000745533 [0,2,0,0,0,0|2,0,0]=4 7580 B11R0.46 C#CCCNC(=O)COC(C)C 240690a_100000755551_100000745533 [0,2,0,0,0,0|2,0,0]=4 7581 B11R0.46 C#CCCNC(=O)COC(C)C 527a_100000755551_100000745533 [0,2,0,0,0,0|2,0,0]=4 7582 B11R0.46 C#CCCNC(=O)CSC(C)C 11a_100000755551_100000241585 [0,2,0,0,0,0|2,0,0]=4 7583 B11R0.46 C#CCCNC(=O)CSC(C)C 1626a_100000755551_100000241585 [0,2,0,0,0,0|2,0,0]=4 7584 B11R0.46 C#CCCNC(=O)CSC(C)C 240690a_100000755551_100000241585 [0,2,0,0,0,0|2,0,0]=4 7585 B11R0.46 C#CCCNC(=O)CSC(C)C 527a_100000755551_100000241585 [0,2,0,0,0,0|2,0,0]=4 7586 B11R0.46 C#CCCNC(=O)NCC(C)C 2708a_100000210953_100000755551 [0,2,0,0,0,0|2,0,0]=4 7587 B11R0.46 C#CCCNC(=O)NCC(C)C 2708a_100000755551_100000210953 [0,2,0,0,0,0|2,0,0]=4 7588 B11R0.46 C#CCCNC(=O)NCC(C)C 273464a_100000210953_100000755551 [0,2,0,0,0,0|2,0,0]=4 7589 B11R0.46 C#CCCNC(=O)NCC(C)C 273464a_100000755551_100000210953 [0,2,0,0,0,0|2,0,0]=4 7590 B11R0.46 C#CCCNC(=O)NCC(C)C 512a_100000210953_100000755551 [0,2,0,0,0,0|2,0,0]=4 7591 B11R0.46 C#CCCNC(=O)NCC(C)C 512a_100000755551_100000210953 [0,2,0,0,0,0|2,0,0]=4 7592 B11R0.46 C#CCCOC(C)CCC(C)C 34a_100011215350_100000688953 [0,2,0,0,0,0|1,0,1]=4 7593 B11R0.46 C#CCCOC(C)CCC(C)C 34a_100011215631_100011261404 [0,2,0,0,0,0|1,0,1]=4 7594 B11R0.46 C#CCCOC(C)CCC(C)C 7a_100011215350_100000688953 [0,2,0,0,0,0|1,0,1]=4 7595 B11R0.46 C#CCOCC(=O)CCC(C)C 1458a_100011251226_100000210312 [0,2,0,0,0,0|0,0,1]=3 7596 B11R0.46 C#CCOCC(=O)CCC(C)O 1458a_100011251226_100012276601 [0,2,0,0,0,0|1,0,1]=4 7597 B11R0.46 C#CCOCC(=O)NCC(C)C 11a_100000210953_100011251226 [0,2,0,0,0,0|1,0,1]=4 7598 B11R0.46 C#CCOCC(=O)NCC(C)C 1626a_100000210953_100011251226 [0,2,0,0,0,0|1,0,1]=4 7599 B11R0.46 C#CCOCC(=O)NCC(C)C 34a_100000210247_100000183291 [0,2,0,0,0,0|1,0,1]=4 7600 B11R0.46 C#CCOCC(=O)NCC(C)C 527a_100000210953_100011251226 [0,2,0,0,0,0|1,0,1]=4 7601 B11R0.46 C/C=C/C=CC(=O)CCC(C)C 1458a_100000185730_100000210312 [0,2,0,0,0,0|1,0,1]=4 7602 B11R0.46 C/C=C/COC(C)CCC(C)C 34a_100011215350_100102629194 [0,2,0,0,0,0|1,0,1]=4 7603 B11R0.46 C/C=C/COC(C)CCC(C)C 34a_100016270725_100011261404 [0,2,0,0,0,0|1,0,1]=4 7604 B11R0.46 C/C=C/COC(C)CCC(C)C 7a_100011215350_100102629194 [0,2,0,0,0,0|1,0,1]=4 7605 B11R0.46 C=C(C)CCC(=O)C=COCC 1458a_100016266692_100000730704 [0,2,0,0,0,0|0,0,2]=4 7606 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [0,2,0,0,0,0|0,0,2]=4 7607 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [0,2,0,0,0,0|0,0,2]=4 7608 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [0,2,0,0,0,0|0,0,2]=4 7609 B11R0.46 C=C(C)CCC(=O)COCCO 1458a_100000708028_100000730704 [0,2,0,0,0,0|0,0,2]=4 7610 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000181311_100000757094 [0,2,0,0,0,0|1,0,0]=3 7611 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000766728_100000210312 [0,2,0,0,0,0|1,0,0]=3 7612 B11R0.46 C=CCCCC(=O)CCC(C)O 1458a_100000766728_100012276601 [0,2,0,0,0,0|2,0,0]=4 7613 B11R0.46 C=CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000757094 [0,2,0,0,0,0|2,0,0]=4 7614 B11R0.46 C=CCCCC(=O)COC(C)C 1458a_100000745533_100000757094 [0,2,0,0,0,0|2,0,0]=4 7615 B11R0.46 C=CCCCC(=O)CSC(C)C 1458a_100000241585_100000757094 [0,2,0,0,0,0|2,0,0]=4 7616 B11R0.46 C=CCCCC(=O)NCC(C)C 11a_100000210953_100000766728 [0,2,0,0,0,0|2,0,0]=4 7617 B11R0.46 C=CCCCC(=O)NCC(C)C 1626a_100000210953_100000766728 [0,2,0,0,0,0|2,0,0]=4 7618 B11R0.46 C=CCCCC(=O)NCC(C)C 240690a_100000210953_100000766728 [0,2,0,0,0,0|2,0,0]=4 7619 B11R0.46 C=CCCCC(=O)NCC(C)C 527a_100000210953_100000766728 [0,2,0,0,0,0|2,0,0]=4 7620 B11R0.46 C=CCCNC(=O)CCC(C)C 11a_100015191253_100000181311 [0,2,0,0,0,0|1,0,0]=3 7621 B11R0.46 C=CCCNC(=O)CCC(C)C 1626a_100015191253_100000181311 [0,2,0,0,0,0|1,0,0]=3 7622 B11R0.46 C=CCCNC(=O)CCC(C)C 240690a_100015191253_100000181311 [0,2,0,0,0,0|1,0,0]=3 7623 B11R0.46 C=CCCNC(=O)CCC(C)C 527a_100015191253_100000181311 [0,2,0,0,0,0|1,0,0]=3 7624 B11R0.46 C=CCCNC(=O)CCC(C)O 1626a_100015191253_100000718519 [0,2,0,0,0,0|2,0,0]=4 7625 B11R0.46 C=CCCNC(=O)CCN(C)C 11a_100015191253_100000689311 [0,2,0,0,0,0|2,0,0]=4 7626 B11R0.46 C=CCCNC(=O)CCN(C)C 240690a_100015191253_100000689311 [0,2,0,0,0,0|2,0,0]=4 7627 B11R0.46 C=CCCNC(=O)CCN(C)C 527a_100015191253_100000689311 [0,2,0,0,0,0|2,0,0]=4 7628 B11R0.46 C=CCCNC(=O)CC[S+](C)C 11a_100015191253_100009452791 [0,2,0,0,0,0|2,0,0]=4 7629 B11R0.46 C=CCCNC(=O)CC[S+](C)C 1626a_100015191253_100009452791 [0,2,0,0,0,0|2,0,0]=4 7630 B11R0.46 C=CCCNC(=O)CC[S+](C)C 240690a_100015191253_100009452791 [0,2,0,0,0,0|2,0,0]=4 7631 B11R0.46 C=CCCNC(=O)COC(C)C 11a_100015191253_100000745533 [0,2,0,0,0,0|2,0,0]=4 7632 B11R0.46 C=CCCNC(=O)COC(C)C 1626a_100015191253_100000745533 [0,2,0,0,0,0|2,0,0]=4 7633 B11R0.46 C=CCCNC(=O)COC(C)C 240690a_100015191253_100000745533 [0,2,0,0,0,0|2,0,0]=4 7634 B11R0.46 C=CCCNC(=O)COC(C)C 527a_100015191253_100000745533 [0,2,0,0,0,0|2,0,0]=4 7635 B11R0.46 C=CCCNC(=O)CSC(C)C 11a_100015191253_100000241585 [0,2,0,0,0,0|2,0,0]=4 7636 B11R0.46 C=CCCNC(=O)CSC(C)C 1626a_100015191253_100000241585 [0,2,0,0,0,0|2,0,0]=4 7637 B11R0.46 C=CCCNC(=O)CSC(C)C 240690a_100015191253_100000241585 [0,2,0,0,0,0|2,0,0]=4 7638 B11R0.46 C=CCCNC(=O)CSC(C)C 527a_100015191253_100000241585 [0,2,0,0,0,0|2,0,0]=4 7639 B11R0.46 C=CCCNC(=O)NCC(C)C 2708a_100000210953_100015191253 [0,2,0,0,0,0|2,0,0]=4 7640 B11R0.46 C=CCCNC(=O)NCC(C)C 2708a_100015191253_100000210953 [0,2,0,0,0,0|2,0,0]=4 7641 B11R0.46 C=CCCNC(=O)NCC(C)C 273464a_100000210953_100015191253 [0,2,0,0,0,0|2,0,0]=4 7642 B11R0.46 C=CCCNC(=O)NCC(C)C 273464a_100015191253_100000210953 [0,2,0,0,0,0|2,0,0]=4 7643 B11R0.46 C=CCCNC(=O)NCC(C)C 512a_100000210953_100015191253 [0,2,0,0,0,0|2,0,0]=4 7644 B11R0.46 C=CCCNC(=O)NCC(C)C 512a_100015191253_100000210953 [0,2,0,0,0,0|2,0,0]=4 7645 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011205117_100011261404 [0,2,0,0,0,0|1,0,1]=4 7646 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011215350_100000754431 [0,2,0,0,0,0|1,0,1]=4 7647 B11R0.46 C=CCCOC(C)CCC(C)C 7a_100011215350_100000754431 [0,2,0,0,0,0|1,0,1]=4 7648 B11R0.46 C=CCNNC(=O)CCC(C)C 22a_100020588587_100000181311 [0,2,0,0,0,0|1,0,1]=4 7649 B11R0.46 C=CCOCC(=O)NCC(C)C 34a_200000210373_100000183291 [0,2,0,0,0,0|1,0,1]=4 7650 B11R0.46 C=CCSCC(=O)CCC(C)C 1458a_100000230395_100000210312 [0,2,0,0,0,0|0,1,1]=4 7651 B11R0.46 C=COCCC(=O)CCC(C)C 1458a_100000181311_100000039644 [0,2,0,0,0,0|0,0,2]=4 7652 B11R0.46 CC#CCNC(=O)CCC(C)C 11a_100000685387_100000181311 [0,2,0,0,0,0|1,0,0]=3 7653 B11R0.46 CC#CCNC(=O)CCC(C)C 1626a_100000685387_100000181311 [0,2,0,0,0,0|1,0,0]=3 7654 B11R0.46 CC#CCNC(=O)CCC(C)C 527a_100000685387_100000181311 [0,2,0,0,0,0|1,0,0]=3 7655 B11R0.46 CC#CCNC(=O)CCC(C)O 1626a_100000685387_100000718519 [0,2,0,0,0,0|2,0,0]=4 7656 B11R0.46 CC#CCNC(=O)CCN(C)C 11a_100000685387_100000689311 [0,2,0,0,0,0|2,0,0]=4 7657 B11R0.46 CC#CCNC(=O)CCN(C)C 527a_100000685387_100000689311 [0,2,0,0,0,0|2,0,0]=4 7658 B11R0.46 CC#CCNC(=O)CC[S+](C)C 11a_100000685387_100009452791 [0,2,0,0,0,0|2,0,0]=4 7659 B11R0.46 CC#CCNC(=O)CC[S+](C)C 1626a_100000685387_100009452791 [0,2,0,0,0,0|2,0,0]=4 7660 B11R0.46 CC#CCNC(=O)COC(C)C 11a_100000685387_100000745533 [0,2,0,0,0,0|2,0,0]=4 7661 B11R0.46 CC#CCNC(=O)COC(C)C 1626a_100000685387_100000745533 [0,2,0,0,0,0|2,0,0]=4 7662 B11R0.46 CC#CCNC(=O)COC(C)C 527a_100000685387_100000745533 [0,2,0,0,0,0|2,0,0]=4 7663 B11R0.46 CC#CCNC(=O)CSC(C)C 11a_100000685387_100000241585 [0,2,0,0,0,0|2,0,0]=4 7664 B11R0.46 CC#CCNC(=O)CSC(C)C 1626a_100000685387_100000241585 [0,2,0,0,0,0|2,0,0]=4 7665 B11R0.46 CC#CCNC(=O)CSC(C)C 527a_100000685387_100000241585 [0,2,0,0,0,0|2,0,0]=4 7666 B11R0.46 CC#CCNC(=O)NCC(C)C 2708a_100000210953_100000685387 [0,2,0,0,0,0|2,0,0]=4 7667 B11R0.46 CC#CCNC(=O)NCC(C)C 273464a_100000210953_100000685387 [0,2,0,0,0,0|2,0,0]=4 7668 B11R0.46 CC#CCNC(=O)NCC(C)C 273464a_100000685387_100000210953 [0,2,0,0,0,0|2,0,0]=4 7669 B11R0.46 CC#CCNC(=O)NCC(C)C 512a_100000210953_100000685387 [0,2,0,0,0,0|2,0,0]=4 7670 B11R0.46 CC#CCNC(=O)NCC(C)C 512a_100000685387_100000210953 [0,2,0,0,0,0|2,0,0]=4 7671 B11R0.46 CC#CCOC(C)CCC(C)C 34a_100000761923_100011261404 [0,2,0,0,0,0|1,0,1]=4 7672 B11R0.46 CC#CCOC(C)CCC(C)C 34a_100011215350_100000748600 [0,2,0,0,0,0|1,0,1]=4 7673 B11R0.46 CC#CCOC(C)CCC(C)C 7a_100011215350_100000748600 [0,2,0,0,0,0|1,0,1]=4 7674 B11R0.46 CC(=CCC(=O)COCCO)C 1458a_100000708028_100000761012 [0,2,0,0,0,0|0,0,2]=4 7675 B11R0.46 CC(=NNCCO)CCC(C)C 4a_100000210001_100000210476 [0,2,0,0,0,0|2,0,0]=4 7676 B11R0.46 CC(=O)CCC(=O)OCCC#N 1458a_200009922858_200000210301 [0,2,0,0,0,0|1,0,1]=4 7677 B11R0.46 CC(C)CCC(=O)CC#CCO 1458a_100000181311_200000047223 [0,2,0,0,0,0|1,0,1]=4 7678 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000075515_100000210312 [0,2,0,0,0,0|1,0,0]=3 7679 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000181311_100000211468 [0,2,0,0,0,0|1,0,0]=3 7680 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,2,0,0,0,0|1,0,0]=3 7681 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,2,0,0,0,0|1,0,0]=3 7682 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,2,0,0,0,0|1,0,0]=3 7683 B11R0.46 CC(C)CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210312 [0,2,0,0,0,0|2,0,0]=4 7684 B11R0.46 CC(C)CCC(=O)COCCO 1458a_100000708028_100000210312 [0,2,0,0,0,0|0,0,0]=2 7685 B11R0.46 CC(C)CCC(=O)CSCC#N 1458a_100000150266_100000210312 [0,2,0,0,0,0|0,1,1]=4 7686 B11R0.46 CC(C)CCC(=O)NCCC#N 11a_100000720768_100000181311 [0,2,0,0,0,0|1,0,0]=3 7687 B11R0.46 CC(C)CCC(=O)NCCC#N 1626a_100000720768_100000181311 [0,2,0,0,0,0|1,0,0]=3 7688 B11R0.46 CC(C)CCC(=O)NCCC#N 240690a_100000720768_100000181311 [0,2,0,0,0,0|1,0,0]=3 7689 B11R0.46 CC(C)CCC(=O)NCCC#N 527a_100000720768_100000181311 [0,2,0,0,0,0|1,0,0]=3 7690 B11R0.46 CC(C)CCC(=O)NCCCF 11a_100015189416_100000181311 [0,2,0,0,0,0|1,0,0]=3 7691 B11R0.46 CC(C)CCC(=O)NCCCF 1626a_100015189416_100000181311 [0,2,0,0,0,0|1,0,0]=3 7692 B11R0.46 CC(C)CCC(=O)NCCCF 240690a_100015189416_100000181311 [0,2,0,0,0,0|1,0,0]=3 7693 B11R0.46 CC(C)CCC(=O)NCCCF 527a_100015189416_100000181311 [0,2,0,0,0,0|1,0,0]=3 7694 B11R0.46 CC(C)CCC(=O)NCCCO 240690a_100000182051_100000181311 [0,2,0,0,0,0|1,0,0]=3 7695 B11R0.46 CC(C)CCC(=O)NCCCO 527a_100000182051_100000181311 [0,2,0,0,0,0|1,0,0]=3 7696 B11R0.46 CC(C)CCC(=O)NNCCO 22a_100000210001_100000181311 [0,2,0,0,0,0|1,0,0]=3 7697 B11R0.46 CC(C)CCC(C)OCCC#N 7a_100011215350_100000184422 [0,2,0,0,0,0|1,0,1]=4 7698 B11R0.46 CC(C)CCC(C)OCCCBr 34a_100011217188_100011261404 [0,2,0,0,0,0|1,0,1]=4 7699 B11R0.46 CC(C)CCC(C)OCCCCl 34a_100000230001_100011261404 [0,2,0,0,0,0|1,0,1]=4 7700 B11R0.46 CC(C)CCC(C)OCCCF 34a_100000759539_100011261404 [0,2,0,0,0,0|1,0,1]=4 7701 B11R0.46 CC(C)CCC(C)OCCCF 34a_100011215350_100011934791 [0,2,0,0,0,0|1,0,1]=4 7702 B11R0.46 CC(C)CCC(C)OCCCF 7a_100011215350_100011934791 [0,2,0,0,0,0|1,0,1]=4 7703 B11R0.46 CC(C)CCC(C)OCCCN 34a_100000182051_100011261404 [0,2,0,0,0,0|1,0,1]=4 7704 B11R0.46 CC(C)CCC(C)OCCCO 34a_100011215350_100000230001 [0,2,0,0,0,0|1,0,1]=4 7705 B11R0.46 CC(C)CCC(C)OCCCO 7a_100011215350_100011215043 [0,2,0,0,0,0|1,0,1]=4 7706 B11R0.46 CC(C)CCC(C)OCCON 34a_100000700252_100011261404 [0,2,0,0,0,0|1,0,1]=4 7707 B11R0.46 CC(C)CNC(=O)CCCC#N 11a_100000210953_100000075515 [0,2,0,0,0,0|2,0,0]=4 7708 B11R0.46 CC(C)CNC(=O)CCCC#N 1626a_100000210953_100000075515 [0,2,0,0,0,0|2,0,0]=4 7709 B11R0.46 CC(C)CNC(=O)CCCC#N 240690a_100000210953_100000075515 [0,2,0,0,0,0|2,0,0]=4 7710 B11R0.46 CC(C)CNC(=O)CCCC#N 527a_100000210953_100000075515 [0,2,0,0,0,0|2,0,0]=4 7711 B11R0.46 CC(C)CNC(=O)CCCCO 1626a_100000210953_100000695505 [0,2,0,0,0,0|2,0,0]=4 7712 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_100011194448_200025704644 [0,2,0,0,0,0|2,0,0]=4 7713 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_200025704644_100011194448 [0,2,0,0,0,0|2,0,0]=4 7714 B11R0.46 CC(C)CNC(=O)CNCCF 34a_100000724931_100000183291 [0,2,0,0,0,0|2,0,0]=4 7715 B11R0.46 CC(C)CNC(=O)CNCCO 2230a_100016997473_100000183291 [0,2,0,0,0,0|2,0,0]=4 7716 B11R0.46 CC(C)CNC(=O)CNCCO 34a_100016990907_100000183291 [0,2,0,0,0,0|2,0,0]=4 7717 B11R0.46 CC(C)CNC(=O)COCCBr 34a_100000211926_100000183291 [0,2,0,0,0,0|1,0,0]=3 7718 B11R0.46 CC(C)CNC(=O)COCCN 34a_100000210304_100000183291 [0,2,0,0,0,0|1,0,0]=3 7719 B11R0.46 CC(C)CNC(=O)COCCO 1626a_100000210953_100000708028 [0,2,0,0,0,0|1,0,0]=3 7720 B11R0.46 CC(C)CNC(=O)COCCO 240690a_100000210953_100000708028 [0,2,0,0,0,0|1,0,0]=3 7721 B11R0.46 CC(C)CNC(=O)CSCCF 62a_100000183291_100011217306 [0,2,0,0,0,0|1,1,0]=4 7722 B11R0.46 CC(C)CNC(=O)CSCCF 62a_100011217306_100000183291 [0,2,0,0,0,0|1,1,0]=4 7723 B11R0.46 CC(C)CNC(=O)CSCCO 62a_100000183291_100000211926 [0,2,0,0,0,0|1,1,0]=4 7724 B11R0.46 CC(C)CNC(=O)CSCCO 62a_100000211926_100000183291 [0,2,0,0,0,0|1,1,0]=4 7725 B11R0.46 CC(C)CNC(=O)NCCC#N 2708a_100000210953_100000720768 [0,2,0,0,0,0|2,0,0]=4 7726 B11R0.46 CC(C)CNC(=O)NCCC#N 2708a_100000720768_100000210953 [0,2,0,0,0,0|2,0,0]=4 7727 B11R0.46 CC(C)CNC(=O)NCCC#N 273464a_100000210953_100000720768 [0,2,0,0,0,0|2,0,0]=4 7728 B11R0.46 CC(C)CNC(=O)NCCC#N 273464a_100000720768_100000210953 [0,2,0,0,0,0|2,0,0]=4 7729 B11R0.46 CC(C)CNC(=O)NCCC#N 512a_100000210953_100000720768 [0,2,0,0,0,0|2,0,0]=4 7730 B11R0.46 CC(C)CNC(=O)NCCC#N 512a_100000720768_100000210953 [0,2,0,0,0,0|2,0,0]=4 7731 B11R0.46 CC(C)CNC(=O)NCCCF 2708a_100000210953_100015189416 [0,2,0,0,0,0|2,0,0]=4 7732 B11R0.46 CC(C)CNC(=O)NCCCF 2708a_100015189416_100000210953 [0,2,0,0,0,0|2,0,0]=4 7733 B11R0.46 CC(C)CNC(=O)NCCCF 273464a_100000210953_100015189416 [0,2,0,0,0,0|2,0,0]=4 7734 B11R0.46 CC(C)CNC(=O)NCCCF 273464a_100015189416_100000210953 [0,2,0,0,0,0|2,0,0]=4 7735 B11R0.46 CC(C)CNC(=O)NCCCF 512a_100000210953_100015189416 [0,2,0,0,0,0|2,0,0]=4 7736 B11R0.46 CC(C)CNC(=O)NCCCF 512a_100015189416_100000210953 [0,2,0,0,0,0|2,0,0]=4 7737 B11R0.46 CC(C)CNC(=O)NCCCO 2708a_100000210953_100000182051 [0,2,0,0,0,0|2,0,0]=4 7738 B11R0.46 CC(C)CNC(=O)NCCCO 273464a_100000182051_100000210953 [0,2,0,0,0,0|2,0,0]=4 7739 B11R0.46 CC(C)CNC(=O)NCCCO 273464a_100000210953_100000182051 [0,2,0,0,0,0|2,0,0]=4 7740 B11R0.46 CC(C)CNC(=O)NCCCO 512a_100000210953_100000182051 [0,2,0,0,0,0|2,0,0]=4 7741 B11R0.46 CC(C)CNC(=O)NNCCO 273464a_100000210953_100000210001 [0,2,0,0,0,0|2,0,0]=4 7742 B11R0.46 CC(C)CNC(=O)NNCCO 512a_100000210953_100000210001 [0,2,0,0,0,0|2,0,0]=4 7743 B11R0.46 CC(C)OCC(=O)CCCC#N 1458a_100000745533_100000211468 [0,2,0,0,0,0|2,0,0]=4 7744 B11R0.46 CC(C)OCC(=O)CCCCF 1458a_100000745533_100000729493 [0,2,0,0,0,0|2,0,0]=4 7745 B11R0.46 CC(C)OCC(=O)CCCCO 1458a_100000745533_100000210776 [0,2,0,0,0,0|2,0,0]=4 7746 B11R0.46 CC(C)OCC(=O)NCCC#N 11a_100000720768_100000745533 [0,2,0,0,0,0|2,0,0]=4 7747 B11R0.46 CC(C)OCC(=O)NCCC#N 1626a_100000720768_100000745533 [0,2,0,0,0,0|2,0,0]=4 7748 B11R0.46 CC(C)OCC(=O)NCCC#N 240690a_100000720768_100000745533 [0,2,0,0,0,0|2,0,0]=4 7749 B11R0.46 CC(C)OCC(=O)NCCC#N 527a_100000720768_100000745533 [0,2,0,0,0,0|2,0,0]=4 7750 B11R0.46 CC(C)OCC(=O)NCCCF 11a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 7751 B11R0.46 CC(C)OCC(=O)NCCCF 1626a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 7752 B11R0.46 CC(C)OCC(=O)NCCCF 240690a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 7753 B11R0.46 CC(C)OCC(=O)NCCCF 527a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 7754 B11R0.46 CC(C)OCC(=O)NCCCO 240690a_100000182051_100000745533 [0,2,0,0,0,0|2,0,0]=4 7755 B11R0.46 CC(C)OCC(=O)NCCCO 527a_100000182051_100000745533 [0,2,0,0,0,0|2,0,0]=4 7756 B11R0.46 CC(C)OCC(=O)NNCCO 22a_100000210001_100000745533 [0,2,0,0,0,0|2,0,0]=4 7757 B11R0.46 CC(C)SCC(=O)CCCC#N 1458a_100000241585_100000211468 [0,2,0,0,0,0|2,0,0]=4 7758 B11R0.46 CC(C)SCC(=O)CCCCF 1458a_100000241585_100000729493 [0,2,0,0,0,0|2,0,0]=4 7759 B11R0.46 CC(C)SCC(=O)CCCCO 1458a_100000241585_100000210776 [0,2,0,0,0,0|2,0,0]=4 7760 B11R0.46 CC(C)SCC(=O)NCCC#N 11a_100000720768_100000241585 [0,2,0,0,0,0|2,0,0]=4 7761 B11R0.46 CC(C)SCC(=O)NCCC#N 1626a_100000720768_100000241585 [0,2,0,0,0,0|2,0,0]=4 7762 B11R0.46 CC(C)SCC(=O)NCCC#N 240690a_100000720768_100000241585 [0,2,0,0,0,0|2,0,0]=4 7763 B11R0.46 CC(C)SCC(=O)NCCC#N 527a_100000720768_100000241585 [0,2,0,0,0,0|2,0,0]=4 7764 B11R0.46 CC(C)SCC(=O)NCCCF 11a_100015189416_100000241585 [0,2,0,0,0,0|2,0,0]=4 7765 B11R0.46 CC(C)SCC(=O)NCCCF 1626a_100015189416_100000241585 [0,2,0,0,0,0|2,0,0]=4 7766 B11R0.46 CC(C)SCC(=O)NCCCF 240690a_100015189416_100000241585 [0,2,0,0,0,0|2,0,0]=4 7767 B11R0.46 CC(C)SCC(=O)NCCCF 527a_100015189416_100000241585 [0,2,0,0,0,0|2,0,0]=4 7768 B11R0.46 CC(C)SCC(=O)NCCCO 240690a_100000182051_100000241585 [0,2,0,0,0,0|2,0,0]=4 7769 B11R0.46 CC(C)SCC(=O)NCCCO 527a_100000182051_100000241585 [0,2,0,0,0,0|2,0,0]=4 7770 B11R0.46 CC(C)SCC(=O)NNCCO 22a_100000210001_100000241585 [0,2,0,0,0,0|2,0,0]=4 7771 B11R0.46 CC(O)CCC(=O)CCCC#N 1458a_100000075515_100012276601 [0,2,0,0,0,0|2,0,0]=4 7772 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,2,0,0,0,0|2,0,0]=4 7773 B11R0.46 CC(O)CCC(=O)COCCO 1458a_100000708028_100012276601 [0,2,0,0,0,0|1,0,0]=3 7774 B11R0.46 CC(O)CCC(=O)NCCC#N 1626a_100000720768_100000718519 [0,2,0,0,0,0|2,0,0]=4 7775 B11R0.46 CC(O)CCC(=O)NCCCF 1626a_100015189416_100000718519 [0,2,0,0,0,0|2,0,0]=4 7776 B11R0.46 CC(O)CNC(=O)COCCO 240690a_100000210904_100000708028 [0,2,0,0,0,0|2,0,0]=4 7777 B11R0.46 CC/C=C/CC(=O)CCC(C)C 1458a_100016274230_100000210312 [0,2,0,0,0,0|1,0,0]=3 7778 B11R0.46 CC/C=C/CC(=O)CCC(C)O 1458a_100016274230_100012276601 [0,2,0,0,0,0|2,0,0]=4 7779 B11R0.46 CC/C=C/CC(=O)NCC(C)C 11a_100000210953_100016274230 [0,2,0,0,0,0|2,0,0]=4 7780 B11R0.46 CC/C=C/CC(=O)NCC(C)C 1626a_100000210953_100016274230 [0,2,0,0,0,0|2,0,0]=4 7781 B11R0.46 CC/C=C/CC(=O)NCC(C)C 240690a_100000210953_100016274230 [0,2,0,0,0,0|2,0,0]=4 7782 B11R0.46 CC/C=C/CC(=O)NCC(C)C 527a_100000210953_100016274230 [0,2,0,0,0,0|2,0,0]=4 7783 B11R0.46 CC/C=C\CC(=O)CCC(C)C 1458a_100000181311_100103147603 [0,2,0,0,0,0|1,0,0]=3 7784 B11R0.46 CC/C=C\CC(=O)CC[S+](C)C 1458a_100009452791_100103147603 [0,2,0,0,0,0|2,0,0]=4 7785 B11R0.46 CC/C=C\CC(=O)COC(C)C 1458a_100000745533_100103147603 [0,2,0,0,0,0|2,0,0]=4 7786 B11R0.46 CC/C=C\CC(=O)CSC(C)C 1458a_100000241585_100103147603 [0,2,0,0,0,0|2,0,0]=4 7787 B11R0.46 CC=CCOC(C)CCC(C)C 34a_100011215350_100000070051 [0,2,0,0,0,0|1,0,1]=4 7788 B11R0.46 CC=CCOC(C)CCC(C)C 7a_100011215350_100000070051 [0,2,0,0,0,0|1,0,1]=4 7789 B11R0.46 CCC#CCC(=O)CCC(C)C 1458a_100000181311_100009813939 [0,2,0,0,0,0|1,0,0]=3 7790 B11R0.46 CCC#CCC(=O)CC[S+](C)C 1458a_100009452791_100009813939 [0,2,0,0,0,0|2,0,0]=4 7791 B11R0.46 CCC#CCC(=O)COC(C)C 1458a_100000745533_100009813939 [0,2,0,0,0,0|2,0,0]=4 7792 B11R0.46 CCC#CCC(=O)CSC(C)C 1458a_100000241585_100009813939 [0,2,0,0,0,0|2,0,0]=4 7793 B11R0.46 CCCC#CC(=O)CCC(C)C 1458a_200011218047_100000210312 [0,2,0,0,0,0|1,0,0]=3 7794 B11R0.46 CCCC#CC(=O)CCC(C)O 1458a_200011218047_100012276601 [0,2,0,0,0,0|2,0,0]=4 7795 B11R0.46 CCCC#CC(=O)NCC(C)C 240690a_100000210953_200011218047 [0,2,0,0,0,0|2,0,0]=4 7796 B11R0.46 CCCC=CC(=O)CCC(C)C 1458a_100000212230_100000210312 [0,2,0,0,0,0|1,0,0]=3 7797 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [0,2,0,0,0,0|2,0,0]=4 7798 B11R0.46 CCCC=CC(=O)NCC(C)C 11a_100000210953_100000212230 [0,2,0,0,0,0|2,0,0]=4 7799 B11R0.46 CCCC=CC(=O)NCC(C)C 1626a_100000210953_100000212230 [0,2,0,0,0,0|2,0,0]=4 7800 B11R0.46 CCCC=CC(=O)NCC(C)C 240690a_100000210953_100000212230 [0,2,0,0,0,0|2,0,0]=4 7801 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,2,0,0,0,0|1,0,0]=3 7802 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,2,0,0,0,0|1,0,0]=3 7803 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,2,0,0,0,0|2,0,0]=4 7804 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,2,0,0,0,0|2,0,0]=4 7805 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,2,0,0,0,0|2,0,0]=4 7806 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,2,0,0,0,0|2,0,0]=4 7807 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,2,0,0,0,0|2,0,0]=4 7808 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,2,0,0,0,0|2,0,0]=4 7809 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,2,0,0,0,0|2,0,0]=4 7810 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,2,0,0,0,0|2,0,0]=4 7811 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,2,0,0,0,0|2,0,0]=4 7812 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 7813 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 7814 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 7815 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 7816 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,2,0,0,0,0|1,0,0]=3 7817 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,2,0,0,0,0|1,0,0]=3 7818 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,2,0,0,0,0|1,0,0]=3 7819 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,2,0,0,0,0|1,0,0]=3 7820 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,2,0,0,0,0|2,0,0]=4 7821 B11R0.46 CCCCNC(=O)CCN(C)C 11a_100000102301_100000689311 [0,2,0,0,0,0|2,0,0]=4 7822 B11R0.46 CCCCNC(=O)CCN(C)C 240690a_100000102301_100000689311 [0,2,0,0,0,0|2,0,0]=4 7823 B11R0.46 CCCCNC(=O)CCN(C)C 527a_100000102301_100000689311 [0,2,0,0,0,0|2,0,0]=4 7824 B11R0.46 CCCCNC(=O)CC[S+](C)C 11a_100000102301_100009452791 [0,2,0,0,0,0|2,0,0]=4 7825 B11R0.46 CCCCNC(=O)CC[S+](C)C 1626a_100000102301_100009452791 [0,2,0,0,0,0|2,0,0]=4 7826 B11R0.46 CCCCNC(=O)CC[S+](C)C 240690a_100000102301_100009452791 [0,2,0,0,0,0|2,0,0]=4 7827 B11R0.46 CCCCNC(=O)CNC(C)C 2230a_100138425928_100000182744 [0,2,0,0,0,0|2,0,0]=4 7828 B11R0.46 CCCCNC(=O)CNC(C)C 34a_100138425928_100000182744 [0,2,0,0,0,0|2,0,0]=4 7829 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [0,2,0,0,0,0|2,0,0]=4 7830 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [0,2,0,0,0,0|2,0,0]=4 7831 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [0,2,0,0,0,0|2,0,0]=4 7832 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [0,2,0,0,0,0|2,0,0]=4 7833 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [0,2,0,0,0,0|2,0,0]=4 7834 B11R0.46 CCCCNC(=O)CSC(C)C 11a_100000102301_100000241585 [0,2,0,0,0,0|2,0,0]=4 7835 B11R0.46 CCCCNC(=O)CSC(C)C 1626a_100000102301_100000241585 [0,2,0,0,0,0|2,0,0]=4 7836 B11R0.46 CCCCNC(=O)CSC(C)C 240690a_100000102301_100000241585 [0,2,0,0,0,0|2,0,0]=4 7837 B11R0.46 CCCCNC(=O)CSC(C)C 527a_100000102301_100000241585 [0,2,0,0,0,0|2,0,0]=4 7838 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000182744_100000210206 [0,2,0,0,0,0|2,0,0]=4 7839 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000210206_100000182744 [0,2,0,0,0,0|2,0,0]=4 7840 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000102301_100000210953 [0,2,0,0,0,0|2,0,0]=4 7841 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000210953_100000102301 [0,2,0,0,0,0|2,0,0]=4 7842 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000102301_100000210953 [0,2,0,0,0,0|2,0,0]=4 7843 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000210953_100000102301 [0,2,0,0,0,0|2,0,0]=4 7844 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000102301_100000210953 [0,2,0,0,0,0|2,0,0]=4 7845 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000210953_100000102301 [0,2,0,0,0,0|2,0,0]=4 7846 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [0,2,0,0,0,0|1,0,0]=3 7847 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [0,2,0,0,0,0|1,0,0]=3 7848 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,2,0,0,0,0|1,0,0]=3 7849 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [0,2,0,0,0,0|1,0,0]=3 7850 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [0,2,0,0,0,0|1,0,0]=3 7851 B11R0.46 CCCCOC(C)CCC(C)C 34a_100000210227_100011261404 [0,2,0,0,0,0|1,0,1]=4 7852 B11R0.46 CCCCOC(C)CCC(C)C 34a_100011215350_100000210210 [0,2,0,0,0,0|1,0,1]=4 7853 B11R0.46 CCCCOC(C)CCC(C)C 7a_100011215350_100000210211 [0,2,0,0,0,0|1,0,1]=4 7854 B11R0.46 CCCNN=C(C)CCC(C)C 4a_100000740057_100000210476 [0,2,0,0,0,0|2,0,0]=4 7855 B11R0.46 CCCNNC(=O)CCC(C)C 22a_100000740057_100000181311 [0,2,0,0,0,0|1,0,0]=3 7856 B11R0.46 CCCNNC(=O)CCN(C)C 22a_100000740057_100000689311 [0,2,0,0,0,0|2,0,0]=4 7857 B11R0.46 CCCNNC(=O)CC[S+](C)C 22a_100000740057_100009452791 [0,2,0,0,0,0|2,0,0]=4 7858 B11R0.46 CCCNNC(=O)COC(C)C 22a_100000740057_100000745533 [0,2,0,0,0,0|2,0,0]=4 7859 B11R0.46 CCCNNC(=O)CSC(C)C 22a_100000740057_100000241585 [0,2,0,0,0,0|2,0,0]=4 7860 B11R0.46 CCCNNC(=O)NCC(C)C 273464a_100000210953_100000740057 [0,2,0,0,0,0|2,0,0]=4 7861 B11R0.46 CCCNNC(=O)NCC(C)C 512a_100000210953_100000740057 [0,2,0,0,0,0|2,0,0]=4 7862 B11R0.46 CCCNNC(=O)NCC(C)C 512a_100000740057_100000210953 [0,2,0,0,0,0|2,0,0]=4 7863 B11R0.46 CCCOCC(=O)CC=C(C)C 1458a_100000745993_100000761012 [0,2,0,0,0,0|0,0,2]=4 7864 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,2,0,0,0,0|0,0,0]=2 7865 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,2,0,0,0,0|1,0,0]=3 7866 B11R0.46 CCCOCC(=O)NCC(C)C 11a_100000210953_100000745993 [0,2,0,0,0,0|1,0,0]=3 7867 B11R0.46 CCCOCC(=O)NCC(C)C 1626a_100000210953_100000745993 [0,2,0,0,0,0|1,0,0]=3 7868 B11R0.46 CCCOCC(=O)NCC(C)C 240690a_100000210953_100000745993 [0,2,0,0,0,0|1,0,0]=3 7869 B11R0.46 CCCOCC(=O)NCC(C)C 34a_100000210258_100000183291 [0,2,0,0,0,0|1,0,0]=3 7870 B11R0.46 CCCOCC(=O)NCC(C)C 527a_100000210953_100000745993 [0,2,0,0,0,0|1,0,0]=3 7871 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 7872 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 7873 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 7874 B11R0.46 CCCOCC(=O)NNC(C)C 22a_100000741168_100000745993 [0,2,0,0,0,0|2,0,0]=4 7875 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [0,2,0,0,0,0|0,1,0]=3 7876 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,2,0,0,0,0|1,1,0]=4 7877 B11R0.46 CCCSCC(=O)NCC(C)C 11a_100000210953_100000217233 [0,2,0,0,0,0|1,1,0]=4 7878 B11R0.46 CCCSCC(=O)NCC(C)C 1626a_100000210953_100000217233 [0,2,0,0,0,0|1,1,0]=4 7879 B11R0.46 CCCSCC(=O)NCC(C)C 240690a_100000210953_100000217233 [0,2,0,0,0,0|1,1,0]=4 7880 B11R0.46 CCCSCC(=O)NCC(C)C 527a_100000210953_100000217233 [0,2,0,0,0,0|1,1,0]=4 7881 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000183291_100000210303 [0,2,0,0,0,0|1,1,0]=4 7882 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000210303_100000183291 [0,2,0,0,0,0|1,1,0]=4 7883 B11R0.46 CCOC=CC(=O)CC=C(C)C 1458a_100016266692_100000761012 [0,2,0,0,0,0|0,0,2]=4 7884 B11R0.46 CCOC=CC(=O)CCC(C)C 1458a_100016266692_100000210312 [0,2,0,0,0,0|0,0,0]=2 7885 B11R0.46 CCOC=CC(=O)CCC(C)O 1458a_100016266692_100012276601 [0,2,0,0,0,0|1,0,0]=3 7886 B11R0.46 CCOC=CC(=O)NCC(C)C 11a_100000210953_100016266692 [0,2,0,0,0,0|1,0,0]=3 7887 B11R0.46 CCOC=CC(=O)NCC(C)C 1626a_100000210953_100016266692 [0,2,0,0,0,0|1,0,0]=3 7888 B11R0.46 CCOC=CC(=O)NCC(C)C 240690a_100000210953_100016266692 [0,2,0,0,0,0|1,0,0]=3 7889 B11R0.46 CCOC=CC(=O)NCC(C)O 11a_100000210904_100016266692 [0,2,0,0,0,0|2,0,0]=4 7890 B11R0.46 CCOC=CC(=O)NCC(C)O 240690a_100000210904_100016266692 [0,2,0,0,0,0|2,0,0]=4 7891 B11R0.46 CCOC=CC(=O)NNC(C)C 22a_100000741168_100016266692 [0,2,0,0,0,0|2,0,0]=4 7892 B11R0.46 CCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215890 [0,2,0,0,0,0|0,0,2]=4 7893 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100000749530_100000761012 [0,2,0,0,0,0|0,0,2]=4 7894 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215890 [0,2,0,0,0,0|0,0,2]=4 7895 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,2,0,0,0,0|0,0,0]=2 7896 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,2,0,0,0,0|0,0,0]=2 7897 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,2,0,0,0,0|1,0,0]=3 7898 B11R0.46 CCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215890 [0,2,0,0,0,0|1,0,0]=3 7899 B11R0.46 CCOCCC(=O)COC(C)C 1458a_100000745533_100011215890 [0,2,0,0,0,0|1,0,0]=3 7900 B11R0.46 CCOCCC(=O)CSC(C)C 1458a_100000241585_100011215890 [0,2,0,0,0,0|1,0,0]=3 7901 B11R0.46 CCOCCC(=O)NCC(C)C 11a_100000210953_100000749530 [0,2,0,0,0,0|1,0,0]=3 7902 B11R0.46 CCOCCC(=O)NCC(C)C 1626a_100000210953_100000749530 [0,2,0,0,0,0|1,0,0]=3 7903 B11R0.46 CCOCCC(=O)NCC(C)C 240690a_100000210953_100000749530 [0,2,0,0,0,0|1,0,0]=3 7904 B11R0.46 CCOCCC(=O)NCC(C)C 527a_100000210953_100000749530 [0,2,0,0,0,0|1,0,0]=3 7905 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 7906 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 7907 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 7908 B11R0.46 CCOCCC(=O)NNC(C)C 22a_100000741168_100000749530 [0,2,0,0,0,0|2,0,0]=4 7909 B11R0.46 CCOCCN(C)CCC(C)C 2230a_100000742789_100011215890 [0,2,0,0,0,0|2,0,0]=4 7910 B11R0.46 CCOCCN(C)CCC(C)C 269982a_100000742789_100011215890 [0,2,0,0,0,0|2,0,0]=4 7911 B11R0.46 CCOCSC(C)CCC(C)C 62a_100000739092_100011261404 [0,2,0,0,0,0|1,0,1]=4 7912 B11R0.46 CCOCSC(C)CCC(C)C 62a_100011261404_100000739092 [0,2,0,0,0,0|1,0,1]=4 7913 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [0,2,0,0,0,0|0,1,0]=3 7914 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [0,2,0,0,0,0|0,1,0]=3 7915 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,2,0,0,0,0|1,1,0]=4 7916 B11R0.46 CCSCCC(=O)CC[S+](C)C 1458a_100009452791_100000757381 [0,2,0,0,0,0|1,1,0]=4 7917 B11R0.46 CCSCCC(=O)COC(C)C 1458a_100000745533_100000757381 [0,2,0,0,0,0|1,1,0]=4 7918 B11R0.46 CCSCCC(=O)CSC(C)C 1458a_100000241585_100000757381 [0,2,0,0,0,0|1,1,0]=4 7919 B11R0.46 CCSCCC(=O)NCC(C)C 11a_100000210953_100000230768 [0,2,0,0,0,0|1,1,0]=4 7920 B11R0.46 CCSCCC(=O)NCC(C)C 1626a_100000210953_100000230768 [0,2,0,0,0,0|1,1,0]=4 7921 B11R0.46 CCSCCC(=O)NCC(C)C 240690a_100000210953_100000230768 [0,2,0,0,0,0|1,1,0]=4 7922 B11R0.46 CCSCCC(=O)NCC(C)C 527a_100000210953_100000230768 [0,2,0,0,0,0|1,1,0]=4 7923 B11R0.46 CN(C)CCC(=O)NCCC#N 11a_100000720768_100000689311 [0,2,0,0,0,0|2,0,0]=4 7924 B11R0.46 CN(C)CCC(=O)NCCC#N 240690a_100000720768_100000689311 [0,2,0,0,0,0|2,0,0]=4 7925 B11R0.46 CN(C)CCC(=O)NCCC#N 527a_100000720768_100000689311 [0,2,0,0,0,0|2,0,0]=4 7926 B11R0.46 CN(C)CCC(=O)NCCCF 11a_100015189416_100000689311 [0,2,0,0,0,0|2,0,0]=4 7927 B11R0.46 CN(C)CCC(=O)NCCCF 240690a_100015189416_100000689311 [0,2,0,0,0,0|2,0,0]=4 7928 B11R0.46 CN(C)CCC(=O)NCCCF 527a_100015189416_100000689311 [0,2,0,0,0,0|2,0,0]=4 7929 B11R0.46 CN(C)CCC(=O)NCCCO 240690a_100000182051_100000689311 [0,2,0,0,0,0|2,0,0]=4 7930 B11R0.46 CN(C)CCC(=O)NCCCO 527a_100000182051_100000689311 [0,2,0,0,0,0|2,0,0]=4 7931 B11R0.46 CN(C)CCC(=O)NNCCO 22a_100000210001_100000689311 [0,2,0,0,0,0|2,0,0]=4 7932 B11R0.46 CNCCCC(=O)NCC(C)C 2230a_106832991635_100011194448 [0,2,0,0,0,0|2,0,0]=4 7933 B11R0.46 CNCCCC(=O)NCC(C)C 34a_100102657272_100011194448 [0,2,0,0,0,0|2,0,0]=4 7934 B11R0.46 CNCCCC(=O)NCC(C)C 7a_106832991635_100011194448 [0,2,0,0,0,0|2,0,0]=4 7935 B11R0.46 COCC=CC(=O)CCC(C)C 1458a_100016285016_100000210312 [0,2,0,0,0,0|1,0,0]=3 7936 B11R0.46 COCC=CC(=O)CCC(C)O 1458a_100016285016_100012276601 [0,2,0,0,0,0|2,0,0]=4 7937 B11R0.46 COCC=CC(=O)NCC(C)C 11a_100000210953_100016285016 [0,2,0,0,0,0|2,0,0]=4 7938 B11R0.46 COCC=CC(=O)NCC(C)C 1626a_100000210953_100016285016 [0,2,0,0,0,0|2,0,0]=4 7939 B11R0.46 COCC=CC(=O)NCC(C)C 240690a_100000210953_100016285016 [0,2,0,0,0,0|2,0,0]=4 7940 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [0,2,0,0,0,0|1,0,0]=3 7941 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [0,2,0,0,0,0|1,0,0]=3 7942 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,2,0,0,0,0|2,0,0]=4 7943 B11R0.46 COCCCC(=O)CC[S+](C)C 1458a_100009452791_100000740836 [0,2,0,0,0,0|2,0,0]=4 7944 B11R0.46 COCCCC(=O)COC(C)C 1458a_100000745533_100000740836 [0,2,0,0,0,0|2,0,0]=4 7945 B11R0.46 COCCCC(=O)CSC(C)C 1458a_100000241585_100000740836 [0,2,0,0,0,0|2,0,0]=4 7946 B11R0.46 COCCCC(=O)NCC(C)C 11a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 7947 B11R0.46 COCCCC(=O)NCC(C)C 1626a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 7948 B11R0.46 COCCCC(=O)NCC(C)C 240690a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 7949 B11R0.46 COCCCC(=O)NCC(C)C 34a_100138415774_100011194448 [0,2,0,0,0,0|2,0,0]=4 7950 B11R0.46 COCCCC(=O)NCC(C)C 527a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 7951 B11R0.46 COCCNC(=O)CCC(C)C 1626a_100000209980_100000181311 [0,2,0,0,0,0|1,0,0]=3 7952 B11R0.46 COCCNC(=O)CCC(C)C 240690a_100000209980_100000181311 [0,2,0,0,0,0|1,0,0]=3 7953 B11R0.46 COCCNC(=O)CCC(C)C 527a_100000209980_100000181311 [0,2,0,0,0,0|1,0,0]=3 7954 B11R0.46 COCCNC(=O)CCC(C)O 1626a_100000209980_100000718519 [0,2,0,0,0,0|2,0,0]=4 7955 B11R0.46 COCCNC(=O)CCN(C)C 240690a_100000209980_100000689311 [0,2,0,0,0,0|2,0,0]=4 7956 B11R0.46 COCCNC(=O)CCN(C)C 527a_100000209980_100000689311 [0,2,0,0,0,0|2,0,0]=4 7957 B11R0.46 COCCNC(=O)CC[S+](C)C 1626a_100000209980_100009452791 [0,2,0,0,0,0|2,0,0]=4 7958 B11R0.46 COCCNC(=O)CC[S+](C)C 240690a_100000209980_100009452791 [0,2,0,0,0,0|2,0,0]=4 7959 B11R0.46 COCCNC(=O)CNC(C)C 2230a_100000754632_100000210206 [0,2,0,0,0,0|2,0,0]=4 7960 B11R0.46 COCCNC(=O)CNC(C)C 2230a_100138425928_100000183275 [0,2,0,0,0,0|2,0,0]=4 7961 B11R0.46 COCCNC(=O)CNC(C)C 34a_100138425928_100000183275 [0,2,0,0,0,0|2,0,0]=4 7962 B11R0.46 COCCNC(=O)COC(C)C 1626a_100000209980_100000745533 [0,2,0,0,0,0|2,0,0]=4 7963 B11R0.46 COCCNC(=O)COC(C)C 240690a_100000209980_100000745533 [0,2,0,0,0,0|2,0,0]=4 7964 B11R0.46 COCCNC(=O)COC(C)C 34a_100000212225_100000183275 [0,2,0,0,0,0|2,0,0]=4 7965 B11R0.46 COCCNC(=O)COC(C)C 527a_100000209980_100000745533 [0,2,0,0,0,0|2,0,0]=4 7966 B11R0.46 COCCNC(=O)CSC(C)C 1626a_100000209980_100000241585 [0,2,0,0,0,0|2,0,0]=4 7967 B11R0.46 COCCNC(=O)CSC(C)C 240690a_100000209980_100000241585 [0,2,0,0,0,0|2,0,0]=4 7968 B11R0.46 COCCNC(=O)CSC(C)C 527a_100000209980_100000241585 [0,2,0,0,0,0|2,0,0]=4 7969 B11R0.46 COCCNC(=O)CSC(C)C 62a_100000183275_100000210206 [0,2,0,0,0,0|2,0,0]=4 7970 B11R0.46 COCCNC(=O)CSC(C)C 62a_100000210206_100000183275 [0,2,0,0,0,0|2,0,0]=4 7971 B11R0.46 COCCNC(=O)NCC(C)C 2708a_100000210953_100000209980 [0,2,0,0,0,0|2,0,0]=4 7972 B11R0.46 COCCNC(=O)NCC(C)C 273464a_100000209980_100000210953 [0,2,0,0,0,0|2,0,0]=4 7973 B11R0.46 COCCNC(=O)NCC(C)C 273464a_100000210953_100000209980 [0,2,0,0,0,0|2,0,0]=4 7974 B11R0.46 COCCOC(=O)CNC(C)C 2230a_100138425928_200000040189 [0,2,0,0,0,0|1,0,0]=3 7975 B11R0.46 COCCOC(=O)CNC(C)C 34a_100138425928_200000040189 [0,2,0,0,0,0|1,0,0]=3 7976 B11R0.46 COCCOC(=O)COC(C)C 34a_100000212225_200000040189 [0,2,0,0,0,0|1,0,0]=3 7977 B11R0.46 COCCOC(=O)CSC(C)C 62a_100000210206_200000040189 [0,2,0,0,0,0|1,0,0]=3 7978 B11R0.46 COCCOC(=O)CSC(C)C 62a_200000040189_100000210206 [0,2,0,0,0,0|1,0,0]=3 7979 B11R0.46 COCCOC(C)CCC(C)C 34a_100000210237_100011261404 [0,2,0,0,0,0|1,0,1]=4 7980 B11R0.46 COCCOC(C)CCC(C)C 34a_100011215350_100011201679 [0,2,0,0,0,0|1,0,1]=4 7981 B11R0.46 COCCOC(C)CCC(C)C 7a_100011215350_100000233755 [0,2,0,0,0,0|1,0,1]=4 7982 B11R0.46 COCSCC(=O)NCC(C)C 62a_100000183291_100000766300 [0,2,0,0,0,0|1,1,0]=4 7983 B11R0.46 COCSCC(=O)NCC(C)C 62a_100000766300_100000183291 [0,2,0,0,0,0|1,1,0]=4 7984 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [0,2,0,0,0,0|1,0,0]=3 7985 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,2,0,0,0,0|2,0,0]=4 7986 B11R0.46 CSCCCC(=O)NCC(C)C 11a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 7987 B11R0.46 CSCCCC(=O)NCC(C)C 1626a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 7988 B11R0.46 CSCCCC(=O)NCC(C)C 240690a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 7989 B11R0.46 CSCCCC(=O)NCC(C)C 527a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 7990 B11R0.46 CSCCCC(=O)NCC(C)C 62a_100011194448_200000210301 [0,2,0,0,0,0|2,0,0]=4 7991 B11R0.46 CSCCCC(=O)NCC(C)C 62a_200000210301_100011194448 [0,2,0,0,0,0|2,0,0]=4 7992 B11R0.46 CSCCNC(=O)CCC(C)C 11a_100020590264_100000181311 [0,2,0,0,0,0|1,0,0]=3 7993 B11R0.46 CSCCNC(=O)CCC(C)C 1626a_100020590264_100000181311 [0,2,0,0,0,0|1,0,0]=3 7994 B11R0.46 CSCCNC(=O)CCC(C)C 240690a_100020590264_100000181311 [0,2,0,0,0,0|1,0,0]=3 7995 B11R0.46 CSCCNC(=O)CCC(C)C 527a_100020590264_100000181311 [0,2,0,0,0,0|1,0,0]=3 7996 B11R0.46 CSCCNC(=O)CCC(C)O 1626a_100020590264_100000718519 [0,2,0,0,0,0|2,0,0]=4 7997 B11R0.46 CSCCNC(=O)CCN(C)C 11a_100020590264_100000689311 [0,2,0,0,0,0|2,0,0]=4 7998 B11R0.46 CSCCNC(=O)CCN(C)C 240690a_100020590264_100000689311 [0,2,0,0,0,0|2,0,0]=4 7999 B11R0.46 CSCCNC(=O)CCN(C)C 527a_100020590264_100000689311 [0,2,0,0,0,0|2,0,0]=4 8000 B11R0.46 CSCCNC(=O)CC[S+](C)C 11a_100020590264_100009452791 [0,2,0,0,0,0|2,0,0]=4 8001 B11R0.46 CSCCNC(=O)CC[S+](C)C 1626a_100020590264_100009452791 [0,2,0,0,0,0|2,0,0]=4 8002 B11R0.46 CSCCNC(=O)CC[S+](C)C 240690a_100020590264_100009452791 [0,2,0,0,0,0|2,0,0]=4 8003 B11R0.46 CSCCNC(=O)COC(C)C 11a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 8004 B11R0.46 CSCCNC(=O)COC(C)C 1626a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 8005 B11R0.46 CSCCNC(=O)COC(C)C 240690a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 8006 B11R0.46 CSCCNC(=O)COC(C)C 527a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 8007 B11R0.46 CSCCNC(=O)CSC(C)C 11a_100020590264_100000241585 [0,2,0,0,0,0|2,0,0]=4 8008 B11R0.46 CSCCNC(=O)CSC(C)C 1626a_100020590264_100000241585 [0,2,0,0,0,0|2,0,0]=4 8009 B11R0.46 CSCCNC(=O)CSC(C)C 240690a_100020590264_100000241585 [0,2,0,0,0,0|2,0,0]=4 8010 B11R0.46 CSCCNC(=O)CSC(C)C 527a_100020590264_100000241585 [0,2,0,0,0,0|2,0,0]=4 8011 B11R0.46 CSCCNC(=O)NCC(C)C 2708a_100000210953_100020590264 [0,2,0,0,0,0|2,0,0]=4 8012 B11R0.46 CSCCNC(=O)NCC(C)C 2708a_100020590264_100000210953 [0,2,0,0,0,0|2,0,0]=4 8013 B11R0.46 CSCCNC(=O)NCC(C)C 273464a_100000210953_100020590264 [0,2,0,0,0,0|2,0,0]=4 8014 B11R0.46 CSCCNC(=O)NCC(C)C 273464a_100020590264_100000210953 [0,2,0,0,0,0|2,0,0]=4 8015 B11R0.46 CSCCNC(=O)NCC(C)C 512a_100000210953_100020590264 [0,2,0,0,0,0|2,0,0]=4 8016 B11R0.46 CSCCNC(=O)NCC(C)C 512a_100020590264_100000210953 [0,2,0,0,0,0|2,0,0]=4 8017 B11R0.46 CSCCOC(C)CCC(C)C 34a_100000230434_100011261404 [0,2,0,0,0,0|1,0,1]=4 8018 B11R0.46 CSCCOC(C)CCC(C)C 34a_100011215350_100000212216 [0,2,0,0,0,0|1,0,1]=4 8019 B11R0.46 CSCCOC(C)CCC(C)C 7a_100011215350_100000212216 [0,2,0,0,0,0|1,0,1]=4 8020 B11R0.46 CSCSCC(=O)NCC(C)C 62a_100000183291_100011218213 [0,2,0,0,0,0|1,1,0]=4 8021 B11R0.46 CSCSCC(=O)NCC(C)C 62a_100011218213_100000183291 [0,2,0,0,0,0|1,1,0]=4 8022 B11R0.46 C[S+](C)CCC(=O)CCCC#N 1458a_100009452791_100000211468 [0,2,0,0,0,0|2,0,0]=4 8023 B11R0.46 C[S+](C)CCC(=O)CCCCF 1458a_100009452791_100000729493 [0,2,0,0,0,0|2,0,0]=4 8024 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [0,2,0,0,0,0|2,0,0]=4 8025 B11R0.46 C[S+](C)CCC(=O)NCCC#N 11a_100000720768_100009452791 [0,2,0,0,0,0|2,0,0]=4 8026 B11R0.46 C[S+](C)CCC(=O)NCCC#N 1626a_100000720768_100009452791 [0,2,0,0,0,0|2,0,0]=4 8027 B11R0.46 C[S+](C)CCC(=O)NCCC#N 240690a_100000720768_100009452791 [0,2,0,0,0,0|2,0,0]=4 8028 B11R0.46 C[S+](C)CCC(=O)NCCCF 11a_100015189416_100009452791 [0,2,0,0,0,0|2,0,0]=4 8029 B11R0.46 C[S+](C)CCC(=O)NCCCF 1626a_100015189416_100009452791 [0,2,0,0,0,0|2,0,0]=4 8030 B11R0.46 C[S+](C)CCC(=O)NCCCF 240690a_100015189416_100009452791 [0,2,0,0,0,0|2,0,0]=4 8031 B11R0.46 C[S+](C)CCC(=O)NCCCO 240690a_100000182051_100009452791 [0,2,0,0,0,0|2,0,0]=4 8032 B11R0.46 C[S+](C)CCC(=O)NNCCO 22a_100000210001_100009452791 [0,2,0,0,0,0|2,0,0]=4 8033 B11R0.46 [13CH3]C(=O)CCC(=O)OCCC#N 1458a_200009922858_200025704644 [0,2,0,0,0,0|1,0,1]=4 8034 B11R0.70 C#CC(C)NCC(=O)OCCC 2230a_100000707721_200011215008 [0,2,0,0,0,0|1,0,1]=4 8035 B11R0.70 C#CC(C)NCC(=O)OCCC 34a_100000707721_200011215008 [0,2,0,0,0,0|1,0,1]=4 8036 B11R0.70 C#CC(C)SCC(=O)OCCC 62a_200000035995_200011215008 [0,2,0,0,0,0|1,0,1]=4 8037 B11R0.70 C#CCCC(=O)CCC(C)CC 1458a_100000701222_100000753159 [0,2,0,0,0,0|1,0,1]=4 8038 B11R0.70 C#CCNC(=O)CCC(C)CC 11a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 8039 B11R0.70 C#CCNC(=O)CCC(C)CC 1626a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 8040 B11R0.70 C#CCNC(=O)CCC(C)CC 240690a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 8041 B11R0.70 C#CCNC(=O)CCC(C)CC 527a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 8042 B11R0.70 C#C[C@@H](C)OCC(=O)OCCC 34a_100009815206_200011215008 [0,2,0,0,0,0|1,0,1]=4 8043 B11R0.70 C#C[C@@H](C)OCC(=O)OCCC 7a_100009815206_200011215008 [0,2,0,0,0,0|1,0,1]=4 8044 B11R0.70 C/C=C/CC(=O)CCC(C)CC 1458a_100000701222_100102629194 [0,2,0,0,0,0|1,0,1]=4 8045 B11R0.70 C=C(COC(C)CF)OCOC 34a_100016041109_100000042856 [0,2,0,0,0,0|2,0,0]=4 8046 B11R0.70 C=C(COC(C)CN)OCOC 34a_100000210904_100000042856 [0,2,0,0,0,0|2,0,0]=4 8047 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000042856_100000758301 [0,2,0,0,0,0|2,0,0]=4 8048 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000758301_100000042856 [0,2,0,0,0,0|2,0,0]=4 8049 B11R0.70 C=C(CSC(C)CO)OCOC 62a_100012180447_100000042856 [0,2,0,0,0,0|2,0,0]=4 8050 B11R0.70 C=C(CSC(C)OC)OCOC 62a_100000042856_100009879195 [0,2,0,0,0,0|2,0,0]=4 8051 B11R0.70 C=C(CSC(C)OC)OCOC 62a_100009879195_100000042856 [0,2,0,0,0,0|2,0,0]=4 8052 B11R0.70 C=C(CS[C@H](C)CO)OCOC 62a_100000042856_100016084084 [0,2,0,0,0,0|2,0,0]=4 8053 B11R0.70 C=C(CS[C@H](C)CO)OCOC 62a_100016084084_100000042856 [0,2,0,0,0,0|2,0,0]=4 8054 B11R0.70 C=CC(C)OCC(=O)OCCC 34a_100000695699_200011215008 [0,2,0,0,0,0|1,0,1]=4 8055 B11R0.70 C=CC(C)SCC(=O)OCCC 62a_100011215867_200011215008 [0,2,0,0,0,0|1,0,1]=4 8056 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [0,2,0,0,0,0|1,0,1]=4 8057 B11R0.70 C=CCNC(=O)CCC(C)CC 1626a_100020586998_100000701222 [0,2,0,0,0,0|1,0,1]=4 8058 B11R0.70 C=CCNC(=O)CCC(C)CC 240690a_100020586998_100000701222 [0,2,0,0,0,0|1,0,1]=4 8059 B11R0.70 C=CCNC(=O)CCC(C)CC 527a_100020586998_100000701222 [0,2,0,0,0,0|1,0,1]=4 8060 B11R0.70 C=CCOC(=O)CNC(C)CC 2230a_100000209981_100000033060 [0,2,0,0,0,0|1,0,1]=4 8061 B11R0.70 C=CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000033060 [0,2,0,0,0,0|1,0,1]=4 8062 B11R0.70 C=CCOC(=O)COC(C)CC 7a_100000210228_100000033060 [0,2,0,0,0,0|1,0,1]=4 8063 B11R0.70 C=CCOC(=O)COC(C)CF 34a_100016041109_100000033060 [0,2,0,0,0,0|1,0,1]=4 8064 B11R0.70 C=CCOC(=O)COC(C)CF 7a_100016041109_100000033060 [0,2,0,0,0,0|1,0,1]=4 8065 B11R0.70 C=CCOC(=O)COC(C)CN 34a_100000210904_100000033060 [0,2,0,0,0,0|1,0,1]=4 8066 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000033060_100000758301 [0,2,0,0,0,0|1,0,1]=4 8067 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000758301_100000033060 [0,2,0,0,0,0|1,0,1]=4 8068 B11R0.70 C=CCOC(=O)CSC(C)CO 62a_100012180447_100000033060 [0,2,0,0,0,0|1,0,1]=4 8069 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100000033060_100009879195 [0,2,0,0,0,0|1,0,1]=4 8070 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100009879195_100000033060 [0,2,0,0,0,0|1,0,1]=4 8071 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100000033060_100016084084 [0,2,0,0,0,0|1,0,1]=4 8072 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000033060 [0,2,0,0,0,0|1,0,1]=4 8073 B11R0.70 CC#CCC(=O)CCC(C)CC 1458a_100000701222_100000748600 [0,2,0,0,0,0|1,0,1]=4 8074 B11R0.70 CC(CO)CNC(=O)NCCF 273464a_100000724931_100000744482 [0,2,0,0,0,0|2,0,0]=4 8075 B11R0.70 CC(CO)CNC(=O)NCCF 273464a_100000744482_100000724931 [0,2,0,0,0,0|2,0,0]=4 8076 B11R0.70 CC(CO)CNC(=O)NCCF 512a_100000744482_100000724931 [0,2,0,0,0,0|2,0,0]=4 8077 B11R0.70 CC(CO)CNC(=O)NCCO 273464a_100000210304_100000744482 [0,2,0,0,0,0|2,0,0]=4 8078 B11R0.70 CC(CO)CNC(=O)NCCO 273464a_100000744482_100000210304 [0,2,0,0,0,0|2,0,0]=4 8079 B11R0.70 CC(CO)CNC(=O)NCCO 512a_100000744482_100000210304 [0,2,0,0,0,0|2,0,0]=4 8080 B11R0.70 CC(CO)NCC(=O)NCCF 2230a_100000725713_100012180447 [0,2,0,0,0,0|2,0,0]=4 8081 B11R0.70 CC=CCC(=O)CCC(C)CC 1458a_100000701222_100000070051 [0,2,0,0,0,0|1,0,1]=4 8082 B11R0.70 CCC(C)CCC(=O)CCC#N 1458a_100000701222_100011215226 [0,2,0,0,0,0|1,0,1]=4 8083 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,2,0,0,0,0|1,0,0]=3 8084 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,2,0,0,0,0|1,0,0]=3 8085 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [0,2,0,0,0,0|1,0,0]=3 8086 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [0,2,0,0,0,0|1,0,0]=3 8087 B11R0.70 CCC(C)CCC(=O)NCC#N 1626a_100000734998_100000701222 [0,2,0,0,0,0|1,0,1]=4 8088 B11R0.70 CCC(C)CCC(=O)NCC#N 527a_100000734998_100000701222 [0,2,0,0,0,0|1,0,1]=4 8089 B11R0.70 CCC(C)CCC(=O)NCCF 11a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 8090 B11R0.70 CCC(C)CCC(=O)NCCF 1626a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 8091 B11R0.70 CCC(C)CCC(=O)NCCF 240690a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 8092 B11R0.70 CCC(C)CCC(=O)NCCF 527a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 8093 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [0,2,0,0,0,0|1,0,0]=3 8094 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [0,2,0,0,0,0|1,0,0]=3 8095 B11R0.70 CCC(C)CCC(C)OCCF 7a_200011216552_100011217306 [0,2,0,0,0,0|1,0,1]=4 8096 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,2,0,0,0,0|1,0,1]=4 8097 B11R0.70 CCC(C)CNC(=O)CCOC 11a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 8098 B11R0.70 CCC(C)CNC(=O)CCOC 1626a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 8099 B11R0.70 CCC(C)CNC(=O)CCOC 240690a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 8100 B11R0.70 CCC(C)CNC(=O)CCOC 527a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 8101 B11R0.70 CCC(C)CNC(=O)CCSC 11a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 8102 B11R0.70 CCC(C)CNC(=O)CCSC 1626a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 8103 B11R0.70 CCC(C)CNC(=O)CCSC 240690a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 8104 B11R0.70 CCC(C)CNC(=O)CCSC 527a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 8105 B11R0.70 CCC(C)CNC(=O)NCCF 2708a_100020588543_100000724931 [0,2,0,0,0,0|2,0,0]=4 8106 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100000724931_100020588543 [0,2,0,0,0,0|2,0,0]=4 8107 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100020588543_100000724931 [0,2,0,0,0,0|2,0,0]=4 8108 B11R0.70 CCC(C)CNC(=O)NCCF 512a_100020588543_100000724931 [0,2,0,0,0,0|2,0,0]=4 8109 B11R0.70 CCC(C)CNC(=O)NCCO 2708a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 8110 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100000210304_100020588543 [0,2,0,0,0,0|2,0,0]=4 8111 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 8112 B11R0.70 CCC(C)CNC(=O)NCCO 512a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 8113 B11R0.70 CCC(C)NCC(=O)NCCF 2230a_100000725713_100000758301 [0,2,0,0,0,0|2,0,0]=4 8114 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [0,2,0,0,0,0|2,0,0]=4 8115 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [0,2,0,0,0,0|2,0,0]=4 8116 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,2,0,0,0,0|2,0,0]=4 8117 B11R0.70 CCC=CC(=O)NCC(C)CC 11a_100020588543_100000212282 [0,2,0,0,0,0|2,0,0]=4 8118 B11R0.70 CCC=CC(=O)NCC(C)CC 1626a_100020588543_100000212282 [0,2,0,0,0,0|2,0,0]=4 8119 B11R0.70 CCC=CC(=O)NCC(C)CC 240690a_100020588543_100000212282 [0,2,0,0,0,0|2,0,0]=4 8120 B11R0.70 CCC=CC(=O)NCC(C)CO 240690a_100000744482_100000212282 [0,2,0,0,0,0|2,0,0]=4 8121 B11R0.70 CCC=CC(=O)NC[C@@H](C)OC 11a_100020591295_100000212282 [0,2,0,0,0,0|2,0,0]=4 8122 B11R0.70 CCC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100000212282 [0,2,0,0,0,0|2,0,0]=4 8123 B11R0.70 CCC=CC(=O)NC[C@@H](C)OC 240690a_100020591295_100000212282 [0,2,0,0,0,0|2,0,0]=4 8124 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|1,0,0]=3 8125 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,2,0,0,0,0|2,0,0]=4 8126 B11R0.70 CCCCC(=O)NCC(C)CC 11a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 8127 B11R0.70 CCCCC(=O)NCC(C)CC 1626a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 8128 B11R0.70 CCCCC(=O)NCC(C)CC 240690a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 8129 B11R0.70 CCCCC(=O)NCC(C)CC 527a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 8130 B11R0.70 CCCCC(=O)NCC(C)CO 240690a_100000744482_100000210183 [0,2,0,0,0,0|2,0,0]=4 8131 B11R0.70 CCCCC(=O)NCC(C)CO 527a_100000744482_100000210183 [0,2,0,0,0,0|2,0,0]=4 8132 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210183 [0,2,0,0,0,0|2,0,0]=4 8133 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210183 [0,2,0,0,0,0|2,0,0]=4 8134 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210183 [0,2,0,0,0,0|2,0,0]=4 8135 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210183 [0,2,0,0,0,0|2,0,0]=4 8136 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 8137 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 8138 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 8139 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 8140 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,2,0,0,0,0|2,0,0]=4 8141 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,2,0,0,0,0|2,0,0]=4 8142 B11R0.70 CCCNC(=O)CCN(C)CC 240690a_100020643023_100000755305 [0,2,0,0,0,0|2,0,0]=4 8143 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000174927_100000758301 [0,2,0,0,0,0|2,0,0]=4 8144 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000209981_100000183358 [0,2,0,0,0,0|2,0,0]=4 8145 B11R0.70 CCCNC(=O)CNC(C)CO 2230a_100000174927_100012180447 [0,2,0,0,0,0|2,0,0]=4 8146 B11R0.70 CCCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183358 [0,2,0,0,0,0|2,0,0]=4 8147 B11R0.70 CCCNC(=O)COC(C)CC 7a_100000210228_100000183358 [0,2,0,0,0,0|2,0,0]=4 8148 B11R0.70 CCCNC(=O)COC(C)CF 34a_100016041109_100000183358 [0,2,0,0,0,0|2,0,0]=4 8149 B11R0.70 CCCNC(=O)COC(C)CF 7a_100016041109_100000183358 [0,2,0,0,0,0|2,0,0]=4 8150 B11R0.70 CCCNC(=O)COC(C)CN 34a_100000210904_100000183358 [0,2,0,0,0,0|2,0,0]=4 8151 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000183358_100000758301 [0,2,0,0,0,0|2,0,0]=4 8152 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000758301_100000183358 [0,2,0,0,0,0|2,0,0]=4 8153 B11R0.70 CCCNC(=O)CSC(C)CO 62a_100012180447_100000183358 [0,2,0,0,0,0|2,0,0]=4 8154 B11R0.70 CCCNC(=O)CSC(C)OC 62a_100000183358_100009879195 [0,2,0,0,0,0|2,0,0]=4 8155 B11R0.70 CCCNC(=O)CSC(C)OC 62a_100009879195_100000183358 [0,2,0,0,0,0|2,0,0]=4 8156 B11R0.70 CCCNC(=O)CS[C@H](C)CO 62a_100000183358_100016084084 [0,2,0,0,0,0|2,0,0]=4 8157 B11R0.70 CCCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183358 [0,2,0,0,0,0|2,0,0]=4 8158 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020588543_100020643023 [0,2,0,0,0,0|2,0,0]=4 8159 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020643023_100020588543 [0,2,0,0,0,0|2,0,0]=4 8160 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020588543_100020643023 [0,2,0,0,0,0|2,0,0]=4 8161 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020643023_100020588543 [0,2,0,0,0,0|2,0,0]=4 8162 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020588543_100020643023 [0,2,0,0,0,0|2,0,0]=4 8163 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020643023_100020588543 [0,2,0,0,0,0|2,0,0]=4 8164 B11R0.70 CCCNC(=O)NCC(C)CO 2708a_100020643023_100000744482 [0,2,0,0,0,0|2,0,0]=4 8165 B11R0.70 CCCNC(=O)NCC(C)CO 273464a_100000744482_100020643023 [0,2,0,0,0,0|2,0,0]=4 8166 B11R0.70 CCCNC(=O)NCC(C)CO 273464a_100020643023_100000744482 [0,2,0,0,0,0|2,0,0]=4 8167 B11R0.70 CCCNC(=O)NCC(C)CO 512a_100000744482_100020643023 [0,2,0,0,0,0|2,0,0]=4 8168 B11R0.70 CCCNC(=O)NCC(C)CO 512a_100020643023_100000744482 [0,2,0,0,0,0|2,0,0]=4 8169 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100020643023 [0,2,0,0,0,0|2,0,0]=4 8170 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 2708a_100020643023_100020591295 [0,2,0,0,0,0|2,0,0]=4 8171 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100020643023 [0,2,0,0,0,0|2,0,0]=4 8172 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 273464a_100020643023_100020591295 [0,2,0,0,0,0|2,0,0]=4 8173 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100020643023 [0,2,0,0,0,0|2,0,0]=4 8174 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 512a_100020643023_100020591295 [0,2,0,0,0,0|2,0,0]=4 8175 B11R0.70 CCCOC(=O)CNC(C)C#N 2230a_100000737613_200011215008 [0,2,0,0,0,0|1,0,1]=4 8176 B11R0.70 CCCOC(=O)CNC(C)CC 2230a_100000209981_200011215008 [0,2,0,0,0,0|1,0,0]=3 8177 B11R0.70 CCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200011215008 [0,2,0,0,0,0|1,0,0]=3 8178 B11R0.70 CCCOC(=O)COC(C)C#N 34a_100011218135_200011215008 [0,2,0,0,0,0|1,0,1]=4 8179 B11R0.70 CCCOC(=O)COC(C)CC 7a_100000210228_200011215008 [0,2,0,0,0,0|1,0,0]=3 8180 B11R0.70 CCCOC(=O)COC(C)CF 34a_100016041109_200011215008 [0,2,0,0,0,0|1,0,0]=3 8181 B11R0.70 CCCOC(=O)COC(C)CF 7a_100016041109_200011215008 [0,2,0,0,0,0|1,0,0]=3 8182 B11R0.70 CCCOC(=O)COC(C)CN 34a_100000210904_200011215008 [0,2,0,0,0,0|1,0,0]=3 8183 B11R0.70 CCCOC(=O)CSC(C)C#N 62a_100000703298_200011215008 [0,2,0,0,0,0|1,0,1]=4 8184 B11R0.70 CCCOC(=O)CSC(C)C#N 62a_200011215008_100000703298 [0,2,0,0,0,0|1,0,1]=4 8185 B11R0.70 CCCOC(=O)CSC(C)CC 62a_100000758301_200011215008 [0,2,0,0,0,0|1,0,0]=3 8186 B11R0.70 CCCOC(=O)CSC(C)CC 62a_200011215008_100000758301 [0,2,0,0,0,0|1,0,0]=3 8187 B11R0.70 CCCOC(=O)CSC(C)CO 62a_100012180447_200011215008 [0,2,0,0,0,0|1,0,0]=3 8188 B11R0.70 CCCOC(=O)CSC(C)OC 62a_100009879195_200011215008 [0,2,0,0,0,0|1,0,0]=3 8189 B11R0.70 CCCOC(=O)CSC(C)OC 62a_200011215008_100009879195 [0,2,0,0,0,0|1,0,0]=3 8190 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_100016084084_200011215008 [0,2,0,0,0,0|1,0,0]=3 8191 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_200011215008_100016084084 [0,2,0,0,0,0|1,0,0]=3 8192 B11R0.70 CCCOC(=O)OCN(C)CC 269982a_100000225621_200000139673 [0,2,0,0,0,0|2,0,0]=4 8193 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,2,0,0,0,0|1,0,1]=4 8194 B11R0.70 CCN(C)CCC(=O)CCCF 1458a_100000755305_100011934791 [0,2,0,0,0,0|2,0,0]=4 8195 B11R0.70 CCN(C)CCC(=O)CCCO 1458a_100000755305_100011215043 [0,2,0,0,0,0|2,0,0]=4 8196 B11R0.70 CCN(C)CCC(=O)CCOC 1458a_100000755305_100000233755 [0,2,0,0,0,0|2,0,0]=4 8197 B11R0.70 CCN(C)CCC(=O)CCSC 1458a_100000755305_100000751147 [0,2,0,0,0,0|2,0,0]=4 8198 B11R0.70 CCN(C)CCC(=O)NCCF 240690a_100000724931_100000755305 [0,2,0,0,0,0|2,0,0]=4 8199 B11R0.70 CCN(C)CCC(=O)NCCO 240690a_100000210304_100000755305 [0,2,0,0,0,0|2,0,0]=4 8200 B11R0.70 CCNNC(=O)CCC(C)CC 22a_100000756455_100000701222 [0,2,0,0,0,0|1,0,0]=3 8201 B11R0.70 CCNNC(=O)CCC(O)CC 22a_100000756455_203496584001 [0,2,0,0,0,0|2,0,0]=4 8202 B11R0.70 CCNNC(=O)CCN(C)CC 22a_100000756455_100000755305 [0,2,0,0,0,0|2,0,0]=4 8203 B11R0.70 CCNNC(=O)NCC(C)CC 273464a_100020588543_100000756455 [0,2,0,0,0,0|2,0,0]=4 8204 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100000756455_100020588543 [0,2,0,0,0,0|2,0,0]=4 8205 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100020588543_100000756455 [0,2,0,0,0,0|2,0,0]=4 8206 B11R0.70 CCNNC(=O)NCC(C)CO 273464a_100000744482_100000756455 [0,2,0,0,0,0|2,0,0]=4 8207 B11R0.70 CCNNC(=O)NCC(C)CO 512a_100000744482_100000756455 [0,2,0,0,0,0|2,0,0]=4 8208 B11R0.70 CCNNC(=O)NCC(C)CO 512a_100000756455_100000744482 [0,2,0,0,0,0|2,0,0]=4 8209 B11R0.70 CCNNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000756455 [0,2,0,0,0,0|2,0,0]=4 8210 B11R0.70 CCNNC(=O)NC[C@@H](C)OC 512a_100000756455_100020591295 [0,2,0,0,0,0|2,0,0]=4 8211 B11R0.70 CCNNC(=O)NC[C@@H](C)OC 512a_100020591295_100000756455 [0,2,0,0,0,0|2,0,0]=4 8212 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,2,0,0,0,0|1,0,1]=4 8213 B11R0.70 CCOCC(=O)NCC(C)CC 11a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 8214 B11R0.70 CCOCC(=O)NCC(C)CC 1626a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 8215 B11R0.70 CCOCC(=O)NCC(C)CC 240690a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 8216 B11R0.70 CCOCC(=O)NCC(C)CC 527a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 8217 B11R0.70 CCOCC(=O)NCC(C)CO 240690a_100000744482_100000211967 [0,2,0,0,0,0|1,0,0]=3 8218 B11R0.70 CCOCC(=O)NCC(C)CO 527a_100000744482_100000211967 [0,2,0,0,0,0|1,0,0]=3 8219 B11R0.70 CCOCC(=O)NCC(O)CC 11a_100011218483_100000211967 [0,2,0,0,0,0|2,0,0]=4 8220 B11R0.70 CCOCC(=O)NCC(O)CC 240690a_100011218483_100000211967 [0,2,0,0,0,0|2,0,0]=4 8221 B11R0.70 CCOCC(=O)NCC(O)CC 527a_100011218483_100000211967 [0,2,0,0,0,0|2,0,0]=4 8222 B11R0.70 CCOCC(=O)NCC(O)CO 34a_100121572206_200012027429 [0,2,0,0,0,0|2,0,0]=4 8223 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211967 [0,2,0,0,0,0|1,0,0]=3 8224 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211967 [0,2,0,0,0,0|1,0,0]=3 8225 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211967 [0,2,0,0,0,0|1,0,0]=3 8226 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211967 [0,2,0,0,0,0|1,0,0]=3 8227 B11R0.70 CCOCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211967 [0,2,0,0,0,0|2,0,0]=4 8228 B11R0.70 CCOCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211967 [0,2,0,0,0,0|2,0,0]=4 8229 B11R0.70 CCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211967 [0,2,0,0,0,0|2,0,0]=4 8230 B11R0.70 CCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000211967 [0,2,0,0,0,0|2,0,0]=4 8231 B11R0.70 CCOCC(=O)NNC(C)CC 22a_100000718999_100000211967 [0,2,0,0,0,0|2,0,0]=4 8232 B11R0.70 CCSCC(=O)NCC(C)CC 11a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 8233 B11R0.70 CCSCC(=O)NCC(C)CC 1626a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 8234 B11R0.70 CCSCC(=O)NCC(C)CC 240690a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 8235 B11R0.70 CCSCC(=O)NCC(C)CC 527a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 8236 B11R0.70 CCSCC(=O)NCC(C)CO 240690a_100000744482_100000230394 [0,2,0,0,0,0|1,1,0]=4 8237 B11R0.70 CCSCC(=O)NCC(C)CO 527a_100000744482_100000230394 [0,2,0,0,0,0|1,1,0]=4 8238 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 11a_100020591295_100000230394 [0,2,0,0,0,0|1,1,0]=4 8239 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000230394 [0,2,0,0,0,0|1,1,0]=4 8240 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000230394 [0,2,0,0,0,0|1,1,0]=4 8241 B11R0.70 CCSCC(=O)NC[C@@H](C)OC 527a_100020591295_100000230394 [0,2,0,0,0,0|1,1,0]=4 8242 B11R0.70 COCCC(=O)NCC(C)CO 240690a_100000744482_100000749529 [0,2,0,0,0,0|2,0,0]=4 8243 B11R0.70 COCCC(=O)NCC(C)CO 527a_100000744482_100000749529 [0,2,0,0,0,0|2,0,0]=4 8244 B11R0.70 COCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000749529 [0,2,0,0,0,0|2,0,0]=4 8245 B11R0.70 COCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000749529 [0,2,0,0,0,0|2,0,0]=4 8246 B11R0.70 COCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000749529 [0,2,0,0,0,0|2,0,0]=4 8247 B11R0.70 COCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000749529 [0,2,0,0,0,0|2,0,0]=4 8248 B11R0.70 CO[C@H](C)CNC(=O)CCSC 11a_100020591295_100000174002 [0,2,0,0,0,0|2,0,0]=4 8249 B11R0.70 CO[C@H](C)CNC(=O)CCSC 1626a_100020591295_100000174002 [0,2,0,0,0,0|2,0,0]=4 8250 B11R0.70 CO[C@H](C)CNC(=O)CCSC 240690a_100020591295_100000174002 [0,2,0,0,0,0|2,0,0]=4 8251 B11R0.70 CO[C@H](C)CNC(=O)CCSC 527a_100020591295_100000174002 [0,2,0,0,0,0|2,0,0]=4 8252 B11R0.70 CO[C@H](C)CNC(=O)NCCF 2708a_100020591295_100000724931 [0,2,0,0,0,0|2,0,0]=4 8253 B11R0.70 CO[C@H](C)CNC(=O)NCCF 273464a_100000724931_100020591295 [0,2,0,0,0,0|2,0,0]=4 8254 B11R0.70 CO[C@H](C)CNC(=O)NCCF 273464a_100020591295_100000724931 [0,2,0,0,0,0|2,0,0]=4 8255 B11R0.70 CO[C@H](C)CNC(=O)NCCF 512a_100020591295_100000724931 [0,2,0,0,0,0|2,0,0]=4 8256 B11R0.70 CO[C@H](C)CNC(=O)NCCO 2708a_100020591295_100000210304 [0,2,0,0,0,0|2,0,0]=4 8257 B11R0.70 CO[C@H](C)CNC(=O)NCCO 273464a_100000210304_100020591295 [0,2,0,0,0,0|2,0,0]=4 8258 B11R0.70 CO[C@H](C)CNC(=O)NCCO 273464a_100020591295_100000210304 [0,2,0,0,0,0|2,0,0]=4 8259 B11R0.70 CO[C@H](C)CNC(=O)NCCO 512a_100020591295_100000210304 [0,2,0,0,0,0|2,0,0]=4 8260 B11R0.70 CSCCC(=O)NCC(C)CO 240690a_100000744482_100000174002 [0,2,0,0,0,0|2,0,0]=4 8261 B11R0.70 CSCCC(=O)NCC(C)CO 527a_100000744482_100000174002 [0,2,0,0,0,0|2,0,0]=4 8262 B11R0.82 C#CCCC(=O)CCC(C)(C)C 1458a_100000692101_100000755188 [0,2,0,0,0,0|1,0,1]=4 8263 B11R0.82 C#CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000753159 [0,2,0,0,0,0|1,0,1]=4 8264 B11R0.82 C#CCNC(=O)CCC(C)(C)C 11a_100000212058_100000757465 [0,2,0,0,0,0|1,0,1]=4 8265 B11R0.82 C#CCNC(=O)CCC(C)(C)C 1626a_100000212058_100000757465 [0,2,0,0,0,0|1,0,1]=4 8266 B11R0.82 C#CCNC(=O)CCC(C)(C)C 240690a_100000212058_100000757465 [0,2,0,0,0,0|1,0,1]=4 8267 B11R0.82 C#CCNC(=O)CCC(C)(C)C 527a_100000212058_100000757465 [0,2,0,0,0,0|1,0,1]=4 8268 B11R0.82 C/C=C/CC(=O)CCC(C)(C)C 1458a_100000757465_100102629194 [0,2,0,0,0,0|1,0,1]=4 8269 B11R0.82 C=C(COC(C)(C)C)OCOC 34a_100015890283_100000042856 [0,2,0,0,0,0|2,0,0]=4 8270 B11R0.82 C=C(CSC(C)(C)C)OCOC 62a_100000042856_100000211941 [0,2,0,0,0,0|2,0,0]=4 8271 B11R0.82 C=C(CSC(C)(C)C)OCOC 62a_100000211941_100000042856 [0,2,0,0,0,0|2,0,0]=4 8272 B11R0.82 C=CCCC(=O)CCC(C)(C)C 1458a_100000749702_100000755188 [0,2,0,0,0,0|1,0,1]=4 8273 B11R0.82 C=CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000754431 [0,2,0,0,0,0|1,0,1]=4 8274 B11R0.82 C=CCNC(=O)CCC(C)(C)C 1626a_100020586998_100000757465 [0,2,0,0,0,0|1,0,1]=4 8275 B11R0.82 C=CCNC(=O)CCC(C)(C)C 240690a_100020586998_100000757465 [0,2,0,0,0,0|1,0,1]=4 8276 B11R0.82 C=CCNC(=O)CCC(C)(C)C 527a_100020586998_100000757465 [0,2,0,0,0,0|1,0,1]=4 8277 B11R0.82 C=CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000033060 [0,2,0,0,0,0|1,0,1]=4 8278 B11R0.82 C=CCOC(=O)COC(C)(C)C 34a_100015890283_100000033060 [0,2,0,0,0,0|1,0,1]=4 8279 B11R0.82 C=CCOC(=O)COC(C)(C)C 7a_100015890283_100000033060 [0,2,0,0,0,0|1,0,1]=4 8280 B11R0.82 C=CCOC(=O)CSC(C)(C)C 62a_100000033060_100000211941 [0,2,0,0,0,0|1,0,1]=4 8281 B11R0.82 C=CCOC(=O)CSC(C)(C)C 62a_100000211941_100000033060 [0,2,0,0,0,0|1,0,1]=4 8282 B11R0.82 CC#CCC(=O)CCC(C)(C)C 1458a_100000757465_100000748600 [0,2,0,0,0,0|1,0,1]=4 8283 B11R0.82 CC(C)(C)CCC(=O)C#CCO 1458a_100000049017_100000755188 [0,2,0,0,0,0|1,0,1]=4 8284 B11R0.82 CC(C)(C)CCC(=O)CCC#N 1458a_100000757465_100011215226 [0,2,0,0,0,0|1,0,1]=4 8285 B11R0.82 CC(C)(C)CCC(=O)CCC#N 1458a_100011934036_100000755188 [0,2,0,0,0,0|1,0,1]=4 8286 B11R0.82 CC(C)(C)CCC(=O)CCCF 1458a_100000757465_100011934791 [0,2,0,0,0,0|1,0,0]=3 8287 B11R0.82 CC(C)(C)CCC(=O)CCCO 1458a_100000757465_100011215043 [0,2,0,0,0,0|1,0,0]=3 8288 B11R0.82 CC(C)(C)CCC(=O)NCC#N 1626a_100000734998_100000757465 [0,2,0,0,0,0|1,0,1]=4 8289 B11R0.82 CC(C)(C)CCC(=O)NCC#N 527a_100000734998_100000757465 [0,2,0,0,0,0|1,0,1]=4 8290 B11R0.82 CC(C)(C)CCC(=O)NCCF 11a_100000724931_100000757465 [0,2,0,0,0,0|1,0,0]=3 8291 B11R0.82 CC(C)(C)CCC(=O)NCCF 1626a_100000724931_100000757465 [0,2,0,0,0,0|1,0,0]=3 8292 B11R0.82 CC(C)(C)CCC(=O)NCCF 240690a_100000724931_100000757465 [0,2,0,0,0,0|1,0,0]=3 8293 B11R0.82 CC(C)(C)CCC(=O)NCCF 527a_100000724931_100000757465 [0,2,0,0,0,0|1,0,0]=3 8294 B11R0.82 CC(C)(C)CCC(=O)NCCO 240690a_100000210304_100000757465 [0,2,0,0,0,0|1,0,0]=3 8295 B11R0.82 CC(C)(C)CCC(=O)NCCO 527a_100000210304_100000757465 [0,2,0,0,0,0|1,0,0]=3 8296 B11R0.82 CC(C)(C)CNC(=O)NCCF 2708a_100000743828_100000724931 [0,2,0,0,0,0|2,0,0]=4 8297 B11R0.82 CC(C)(C)CNC(=O)NCCF 273464a_100000724931_100000743828 [0,2,0,0,0,0|2,0,0]=4 8298 B11R0.82 CC(C)(C)CNC(=O)NCCF 273464a_100000743828_100000724931 [0,2,0,0,0,0|2,0,0]=4 8299 B11R0.82 CC(C)(C)CNC(=O)NCCF 512a_100000743828_100000724931 [0,2,0,0,0,0|2,0,0]=4 8300 B11R0.82 CC(C)(C)CNC(=O)NCCO 2708a_100000743828_100000210304 [0,2,0,0,0,0|2,0,0]=4 8301 B11R0.82 CC(C)(C)CNC(=O)NCCO 273464a_100000210304_100000743828 [0,2,0,0,0,0|2,0,0]=4 8302 B11R0.82 CC(C)(C)CNC(=O)NCCO 273464a_100000743828_100000210304 [0,2,0,0,0,0|2,0,0]=4 8303 B11R0.82 CC(C)(C)CNC(=O)NCCO 512a_100000743828_100000210304 [0,2,0,0,0,0|2,0,0]=4 8304 B11R0.82 CC(C)(C)OCC(=O)CCCF 1458a_100000686494_100011934791 [0,2,0,0,0,0|2,0,0]=4 8305 B11R0.82 CC(C)(C)OCC(=O)CCCO 1458a_100000686494_100011215043 [0,2,0,0,0,0|2,0,0]=4 8306 B11R0.82 CC(C)(C)OCC(=O)NCCF 11a_100000724931_100000686494 [0,2,0,0,0,0|2,0,0]=4 8307 B11R0.82 CC(C)(C)OCC(=O)NCCF 1626a_100000724931_100000686494 [0,2,0,0,0,0|2,0,0]=4 8308 B11R0.82 CC(C)(C)OCC(=O)NCCF 240690a_100000724931_100000686494 [0,2,0,0,0,0|2,0,0]=4 8309 B11R0.82 CC(C)(C)OCC(=O)NCCF 527a_100000724931_100000686494 [0,2,0,0,0,0|2,0,0]=4 8310 B11R0.82 CC(C)(C)OCC(=O)NCCO 240690a_100000210304_100000686494 [0,2,0,0,0,0|2,0,0]=4 8311 B11R0.82 CC(C)(C)OCC(=O)NCCO 527a_100000210304_100000686494 [0,2,0,0,0,0|2,0,0]=4 8312 B11R0.82 CC(C)(F)CNC(=O)NCCF 2708a_100020643315_100000724931 [0,2,0,0,0,0|2,0,0]=4 8313 B11R0.82 CC(C)(F)CNC(=O)NCCF 273464a_100000724931_100020643315 [0,2,0,0,0,0|2,0,0]=4 8314 B11R0.82 CC(C)(F)CNC(=O)NCCF 273464a_100020643315_100000724931 [0,2,0,0,0,0|2,0,0]=4 8315 B11R0.82 CC(C)(F)CNC(=O)NCCF 512a_100020643315_100000724931 [0,2,0,0,0,0|2,0,0]=4 8316 B11R0.82 CC(C)(F)CNC(=O)NCCO 2708a_100020643315_100000210304 [0,2,0,0,0,0|2,0,0]=4 8317 B11R0.82 CC(C)(F)CNC(=O)NCCO 273464a_100000210304_100020643315 [0,2,0,0,0,0|2,0,0]=4 8318 B11R0.82 CC(C)(F)CNC(=O)NCCO 273464a_100020643315_100000210304 [0,2,0,0,0,0|2,0,0]=4 8319 B11R0.82 CC(C)(F)CNC(=O)NCCO 512a_100020643315_100000210304 [0,2,0,0,0,0|2,0,0]=4 8320 B11R0.82 CC(C)(O)CNC(=O)NCCF 273464a_100000724931_100000751335 [0,2,0,0,0,0|2,0,0]=4 8321 B11R0.82 CC(C)(O)CNC(=O)NCCF 512a_100000751335_100000724931 [0,2,0,0,0,0|2,0,0]=4 8322 B11R0.82 CC(C)(O)CNC(=O)NCCO 273464a_100000210304_100000751335 [0,2,0,0,0,0|2,0,0]=4 8323 B11R0.82 CC(C)(O)CNC(=O)NCCO 512a_100000751335_100000210304 [0,2,0,0,0,0|2,0,0]=4 8324 B11R0.82 CC(F)(F)CCC(=O)CCCF 1458a_100000030992_100011934791 [0,2,0,0,0,0|2,0,0]=4 8325 B11R0.82 CC(F)(F)CCC(=O)CCCO 1458a_100000030992_100011215043 [0,2,0,0,0,0|2,0,0]=4 8326 B11R0.82 CC(F)(F)CCC(=O)NCCF 11a_100000724931_100000030992 [0,2,0,0,0,0|2,0,0]=4 8327 B11R0.82 CC(F)(F)CCC(=O)NCCF 1626a_100000724931_100000030992 [0,2,0,0,0,0|2,0,0]=4 8328 B11R0.82 CC(F)(F)CCC(=O)NCCF 240690a_100000724931_100000030992 [0,2,0,0,0,0|2,0,0]=4 8329 B11R0.82 CC(F)(F)CCC(=O)NCCF 527a_100000724931_100000030992 [0,2,0,0,0,0|2,0,0]=4 8330 B11R0.82 CC(F)(F)CCC(=O)NCCO 240690a_100000210304_100000030992 [0,2,0,0,0,0|2,0,0]=4 8331 B11R0.82 CC(F)(F)CCC(=O)NCCO 527a_100000210304_100000030992 [0,2,0,0,0,0|2,0,0]=4 8332 B11R0.82 CC=CCC(=O)CCC(C)(C)C 1458a_100000757465_100000070051 [0,2,0,0,0,0|1,0,1]=4 8333 B11R0.82 CC=CCC(=O)CCC(C)(C)C 1458a_100121576822_100000755188 [0,2,0,0,0,0|1,0,1]=4 8334 B11R0.82 CCC#CC(=O)CCC(C)(C)C 1458a_100011827653_100000755188 [0,2,0,0,0,0|1,0,0]=3 8335 B11R0.82 CCC#CC(=O)CC[N+](C)(C)C 1458a_100011827653_100000085578 [0,2,0,0,0,0|2,0,0]=4 8336 B11R0.82 CCC#CC(=O)CC[Si](C)(C)C 1458a_100011827653_200000733723 [0,2,0,0,0,0|1,1,0]=4 8337 B11R0.82 CCC=CC(=O)CCC(C)(C)C 1458a_100000212282_100000755188 [0,2,0,0,0,0|1,0,0]=3 8338 B11R0.82 CCC=CC(=O)CC[N+](C)(C)C 1458a_100000212282_100000085578 [0,2,0,0,0,0|2,0,0]=4 8339 B11R0.82 CCC=CC(=O)CC[Si](C)(C)C 1458a_100000212282_200000733723 [0,2,0,0,0,0|1,1,0]=4 8340 B11R0.82 CCC=CC(=O)NCC(C)(C)C 11a_100000743828_100000212282 [0,2,0,0,0,0|2,0,0]=4 8341 B11R0.82 CCC=CC(=O)NCC(C)(C)C 1626a_100000743828_100000212282 [0,2,0,0,0,0|2,0,0]=4 8342 B11R0.82 CCC=CC(=O)NCC(C)(C)C 240690a_100000743828_100000212282 [0,2,0,0,0,0|2,0,0]=4 8343 B11R0.82 CCC=CC(=O)NCC(C)(C)F 11a_100020643315_100000212282 [0,2,0,0,0,0|2,0,0]=4 8344 B11R0.82 CCC=CC(=O)NCC(C)(C)F 1626a_100020643315_100000212282 [0,2,0,0,0,0|2,0,0]=4 8345 B11R0.82 CCC=CC(=O)NCC(C)(C)F 240690a_100020643315_100000212282 [0,2,0,0,0,0|2,0,0]=4 8346 B11R0.82 CCC=CC(=O)NCC(C)(C)O 1626a_100000751335_100000212282 [0,2,0,0,0,0|2,0,0]=4 8347 B11R0.82 CCC=CC(=O)NCC(C)(C)O 240690a_100000751335_100000212282 [0,2,0,0,0,0|2,0,0]=4 8348 B11R0.82 CCCCC(=O)CCC(C)(C)C 1458a_100000210183_100000755188 [0,2,0,0,0,0|1,0,0]=3 8349 B11R0.82 CCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210211 [0,2,0,0,0,0|1,0,0]=3 8350 B11R0.82 CCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210211 [0,2,0,0,0,0|2,0,0]=4 8351 B11R0.82 CCCCC(=O)CC[N+](C)(C)C 1458a_100000210183_100000085578 [0,2,0,0,0,0|2,0,0]=4 8352 B11R0.82 CCCCC(=O)CC[Si](C)(C)C 1458a_100000210183_200000733723 [0,2,0,0,0,0|1,1,0]=4 8353 B11R0.82 CCCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210211 [0,2,0,0,0,0|1,1,0]=4 8354 B11R0.82 CCCCC(=O)COC(C)(C)C 1458a_100000686494_100000210211 [0,2,0,0,0,0|2,0,0]=4 8355 B11R0.82 CCCCC(=O)NCC(C)(C)C 11a_100000743828_100000210183 [0,2,0,0,0,0|2,0,0]=4 8356 B11R0.82 CCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000210183 [0,2,0,0,0,0|2,0,0]=4 8357 B11R0.82 CCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000210183 [0,2,0,0,0,0|2,0,0]=4 8358 B11R0.82 CCCCC(=O)NCC(C)(C)C 527a_100000743828_100000210183 [0,2,0,0,0,0|2,0,0]=4 8359 B11R0.82 CCCCC(=O)NCC(C)(C)F 11a_100020643315_100000210183 [0,2,0,0,0,0|2,0,0]=4 8360 B11R0.82 CCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000210183 [0,2,0,0,0,0|2,0,0]=4 8361 B11R0.82 CCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000210183 [0,2,0,0,0,0|2,0,0]=4 8362 B11R0.82 CCCCC(=O)NCC(C)(C)F 527a_100020643315_100000210183 [0,2,0,0,0,0|2,0,0]=4 8363 B11R0.82 CCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000210183 [0,2,0,0,0,0|2,0,0]=4 8364 B11R0.82 CCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000210183 [0,2,0,0,0,0|2,0,0]=4 8365 B11R0.82 CCCCC(=O)NCC(C)(C)O 527a_100000751335_100000210183 [0,2,0,0,0,0|2,0,0]=4 8366 B11R0.82 CCCNC(=O)CCC(C)(C)C 11a_100020643023_100000757465 [0,2,0,0,0,0|1,0,0]=3 8367 B11R0.82 CCCNC(=O)CCC(C)(C)C 1626a_100020643023_100000757465 [0,2,0,0,0,0|1,0,0]=3 8368 B11R0.82 CCCNC(=O)CCC(C)(C)C 240690a_100020643023_100000757465 [0,2,0,0,0,0|1,0,0]=3 8369 B11R0.82 CCCNC(=O)CCC(C)(C)C 527a_100020643023_100000757465 [0,2,0,0,0,0|1,0,0]=3 8370 B11R0.82 CCCNC(=O)CCC(C)(F)F 11a_100020643023_100000030992 [0,2,0,0,0,0|2,0,0]=4 8371 B11R0.82 CCCNC(=O)CCC(C)(F)F 1626a_100020643023_100000030992 [0,2,0,0,0,0|2,0,0]=4 8372 B11R0.82 CCCNC(=O)CCC(C)(F)F 240690a_100020643023_100000030992 [0,2,0,0,0,0|2,0,0]=4 8373 B11R0.82 CCCNC(=O)CCC(C)(F)F 527a_100020643023_100000030992 [0,2,0,0,0,0|2,0,0]=4 8374 B11R0.82 CCCNC(=O)CC[Si](C)(C)C 1626a_100020643023_100011215282 [0,2,0,0,0,0|1,1,0]=4 8375 B11R0.82 CCCNC(=O)CC[Si](C)(C)C 240690a_100020643023_100011215282 [0,2,0,0,0,0|1,1,0]=4 8376 B11R0.82 CCCNC(=O)CC[Si](C)(C)C 527a_100020643023_100011215282 [0,2,0,0,0,0|1,1,0]=4 8377 B11R0.82 CCCNC(=O)CNC(C)(C)C 2230a_100000715429_100000183358 [0,2,0,0,0,0|2,0,0]=4 8378 B11R0.82 CCCNC(=O)COC(C)(C)C 11a_100020643023_100000686494 [0,2,0,0,0,0|2,0,0]=4 8379 B11R0.82 CCCNC(=O)COC(C)(C)C 1626a_100020643023_100000686494 [0,2,0,0,0,0|2,0,0]=4 8380 B11R0.82 CCCNC(=O)COC(C)(C)C 240690a_100020643023_100000686494 [0,2,0,0,0,0|2,0,0]=4 8381 B11R0.82 CCCNC(=O)COC(C)(C)C 34a_100015890283_100000183358 [0,2,0,0,0,0|2,0,0]=4 8382 B11R0.82 CCCNC(=O)COC(C)(C)C 527a_100020643023_100000686494 [0,2,0,0,0,0|2,0,0]=4 8383 B11R0.82 CCCNC(=O)COC(C)(C)C 7a_100015890283_100000183358 [0,2,0,0,0,0|2,0,0]=4 8384 B11R0.82 CCCNC(=O)CSC(C)(C)C 62a_100000183358_100000211941 [0,2,0,0,0,0|2,0,0]=4 8385 B11R0.82 CCCNC(=O)CSC(C)(C)C 62a_100000211941_100000183358 [0,2,0,0,0,0|2,0,0]=4 8386 B11R0.82 CCCNC(=O)NCC(C)(C)C 2708a_100000743828_100020643023 [0,2,0,0,0,0|2,0,0]=4 8387 B11R0.82 CCCNC(=O)NCC(C)(C)C 2708a_100020643023_100000743828 [0,2,0,0,0,0|2,0,0]=4 8388 B11R0.82 CCCNC(=O)NCC(C)(C)C 273464a_100000743828_100020643023 [0,2,0,0,0,0|2,0,0]=4 8389 B11R0.82 CCCNC(=O)NCC(C)(C)C 273464a_100020643023_100000743828 [0,2,0,0,0,0|2,0,0]=4 8390 B11R0.82 CCCNC(=O)NCC(C)(C)C 512a_100000743828_100020643023 [0,2,0,0,0,0|2,0,0]=4 8391 B11R0.82 CCCNC(=O)NCC(C)(C)C 512a_100020643023_100000743828 [0,2,0,0,0,0|2,0,0]=4 8392 B11R0.82 CCCNC(=O)NCC(C)(C)F 2708a_100020643023_100020643315 [0,2,0,0,0,0|2,0,0]=4 8393 B11R0.82 CCCNC(=O)NCC(C)(C)F 2708a_100020643315_100020643023 [0,2,0,0,0,0|2,0,0]=4 8394 B11R0.82 CCCNC(=O)NCC(C)(C)F 273464a_100020643023_100020643315 [0,2,0,0,0,0|2,0,0]=4 8395 B11R0.82 CCCNC(=O)NCC(C)(C)F 273464a_100020643315_100020643023 [0,2,0,0,0,0|2,0,0]=4 8396 B11R0.82 CCCNC(=O)NCC(C)(C)F 512a_100020643023_100020643315 [0,2,0,0,0,0|2,0,0]=4 8397 B11R0.82 CCCNC(=O)NCC(C)(C)F 512a_100020643315_100020643023 [0,2,0,0,0,0|2,0,0]=4 8398 B11R0.82 CCCNC(=O)NCC(C)(C)O 2708a_100020643023_100000751335 [0,2,0,0,0,0|2,0,0]=4 8399 B11R0.82 CCCNC(=O)NCC(C)(C)O 273464a_100020643023_100000751335 [0,2,0,0,0,0|2,0,0]=4 8400 B11R0.82 CCCNC(=O)NCC(C)(C)O 512a_100000751335_100020643023 [0,2,0,0,0,0|2,0,0]=4 8401 B11R0.82 CCCNC(=O)NCC(C)(C)O 512a_100020643023_100000751335 [0,2,0,0,0,0|2,0,0]=4 8402 B11R0.82 CCCOC(=O)CNC(C)(C)C 2230a_100000715429_200011215008 [0,2,0,0,0,0|1,0,0]=3 8403 B11R0.82 CCCOC(=O)COC(C)(C)C 34a_100015890283_200011215008 [0,2,0,0,0,0|1,0,0]=3 8404 B11R0.82 CCCOC(=O)COC(C)(C)C 7a_100015890283_200011215008 [0,2,0,0,0,0|1,0,0]=3 8405 B11R0.82 CCCOC(=O)CSC(C)(C)C 62a_100000211941_200011215008 [0,2,0,0,0,0|1,0,0]=3 8406 B11R0.82 CCCOC(=O)CSC(C)(C)C 62a_200011215008_100000211941 [0,2,0,0,0,0|1,0,0]=3 8407 B11R0.82 CCNCC(=O)OCC(C)(C)C 2230a_100015525214_200010402935 [0,2,0,0,0,0|2,0,0]=4 8408 B11R0.82 CCNNC(=O)CCC(C)(C)C 22a_100000756455_100000757465 [0,2,0,0,0,0|1,0,0]=3 8409 B11R0.82 CCNNC(=O)CCC(C)(F)F 22a_100000756455_100000030992 [0,2,0,0,0,0|2,0,0]=4 8410 B11R0.82 CCNNC(=O)CC[Si](C)(C)C 22a_100000756455_100011215282 [0,2,0,0,0,0|1,1,0]=4 8411 B11R0.82 CCNNC(=O)COC(C)(C)C 22a_100000756455_100000686494 [0,2,0,0,0,0|2,0,0]=4 8412 B11R0.82 CCNNC(=O)NCC(C)(C)C 273464a_100000743828_100000756455 [0,2,0,0,0,0|2,0,0]=4 8413 B11R0.82 CCNNC(=O)NCC(C)(C)C 512a_100000743828_100000756455 [0,2,0,0,0,0|2,0,0]=4 8414 B11R0.82 CCNNC(=O)NCC(C)(C)C 512a_100000756455_100000743828 [0,2,0,0,0,0|2,0,0]=4 8415 B11R0.82 CCNNC(=O)NCC(C)(C)F 273464a_100020643315_100000756455 [0,2,0,0,0,0|2,0,0]=4 8416 B11R0.82 CCNNC(=O)NCC(C)(C)F 512a_100000756455_100020643315 [0,2,0,0,0,0|2,0,0]=4 8417 B11R0.82 CCNNC(=O)NCC(C)(C)F 512a_100020643315_100000756455 [0,2,0,0,0,0|2,0,0]=4 8418 B11R0.82 CCNNC(=O)NCC(C)(C)O 512a_100000751335_100000756455 [0,2,0,0,0,0|2,0,0]=4 8419 B11R0.82 CCNNC(=O)NCC(C)(C)O 512a_100000756455_100000751335 [0,2,0,0,0,0|2,0,0]=4 8420 B11R0.82 CCOCC(=O)CCC(C)(C)C 1458a_100000211967_100000755188 [0,2,0,0,0,0|0,0,0]=2 8421 B11R0.82 CCOCC(=O)CCC(F)(F)F 1458a_100000211967_100011219754 [0,2,0,0,0,0|2,0,0]=4 8422 B11R0.82 CCOCC(=O)CCS(=O)(=O)C 1458a_100000211967_100000731031 [0,2,0,0,0,0|2,0,0]=4 8423 B11R0.82 CCOCC(=O)CCS(=O)(=O)C 34a_100121572206_100103131435 [0,2,0,0,0,0|2,0,0]=4 8424 B11R0.82 CCOCC(=O)CC[N+](C)(C)C 1458a_100000211967_100000085578 [0,2,0,0,0,0|1,0,0]=3 8425 B11R0.82 CCOCC(=O)CC[Si](C)(C)C 1458a_100000211967_200000733723 [0,2,0,0,0,0|0,1,0]=3 8426 B11R0.82 CCOCC(=O)NCC(C)(C)C 11a_100000743828_100000211967 [0,2,0,0,0,0|1,0,0]=3 8427 B11R0.82 CCOCC(=O)NCC(C)(C)C 1626a_100000743828_100000211967 [0,2,0,0,0,0|1,0,0]=3 8428 B11R0.82 CCOCC(=O)NCC(C)(C)C 240690a_100000743828_100000211967 [0,2,0,0,0,0|1,0,0]=3 8429 B11R0.82 CCOCC(=O)NCC(C)(C)C 527a_100000743828_100000211967 [0,2,0,0,0,0|1,0,0]=3 8430 B11R0.82 CCOCC(=O)NCC(C)(C)F 11a_100020643315_100000211967 [0,2,0,0,0,0|1,0,0]=3 8431 B11R0.82 CCOCC(=O)NCC(C)(C)F 1626a_100020643315_100000211967 [0,2,0,0,0,0|1,0,0]=3 8432 B11R0.82 CCOCC(=O)NCC(C)(C)F 240690a_100020643315_100000211967 [0,2,0,0,0,0|1,0,0]=3 8433 B11R0.82 CCOCC(=O)NCC(C)(C)F 527a_100020643315_100000211967 [0,2,0,0,0,0|1,0,0]=3 8434 B11R0.82 CCOCC(=O)NCC(C)(C)O 1626a_100000751335_100000211967 [0,2,0,0,0,0|1,0,0]=3 8435 B11R0.82 CCOCC(=O)NCC(C)(C)O 240690a_100000751335_100000211967 [0,2,0,0,0,0|1,0,0]=3 8436 B11R0.82 CCOCC(=O)NCC(C)(C)O 527a_100000751335_100000211967 [0,2,0,0,0,0|1,0,0]=3 8437 B11R0.82 CCOCC(=O)NCC(C)(F)F 11a_100000731000_100000211967 [0,2,0,0,0,0|2,0,0]=4 8438 B11R0.82 CCOCC(=O)NCC(C)(F)F 1626a_100000731000_100000211967 [0,2,0,0,0,0|2,0,0]=4 8439 B11R0.82 CCOCC(=O)NCC(C)(F)F 240690a_100000731000_100000211967 [0,2,0,0,0,0|2,0,0]=4 8440 B11R0.82 CCOCC(=O)NCC(C)(F)F 527a_100000731000_100000211967 [0,2,0,0,0,0|2,0,0]=4 8441 B11R0.82 CCOCC(=O)NC[Si](C)(C)C 11a_102516607284_100000211967 [0,2,0,0,0,0|1,1,0]=4 8442 B11R0.82 CCOCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000211967 [0,2,0,0,0,0|1,1,0]=4 8443 B11R0.82 CCOCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000211967 [0,2,0,0,0,0|1,1,0]=4 8444 B11R0.82 CCOCC(=O)NC[Si](C)(C)C 527a_102516607284_100000211967 [0,2,0,0,0,0|1,1,0]=4 8445 B11R0.82 CCOCC(=O)NNC(C)(C)C 22a_100000725372_100000211967 [0,2,0,0,0,0|2,0,0]=4 8446 B11R0.82 CCOCC(=O)OCC(C)(C)C 34a_100121572206_200010402935 [0,2,0,0,0,0|1,0,0]=3 8447 B11R0.82 CCSCC(=O)CCC(C)(C)C 1458a_100000230394_100000755188 [0,2,0,0,0,0|0,1,0]=3 8448 B11R0.82 CCSCC(=O)CC[N+](C)(C)C 1458a_100000230394_100000085578 [0,2,0,0,0,0|1,1,0]=4 8449 B11R0.82 CCSCC(=O)CC[Si](C)(C)C 1458a_100000230394_200000733723 [0,2,0,0,0,0|0,2,0]=4 8450 B11R0.82 CCSCC(=O)NCC(C)(C)C 11a_100000743828_100000230394 [0,2,0,0,0,0|1,1,0]=4 8451 B11R0.82 CCSCC(=O)NCC(C)(C)C 1626a_100000743828_100000230394 [0,2,0,0,0,0|1,1,0]=4 8452 B11R0.82 CCSCC(=O)NCC(C)(C)C 240690a_100000743828_100000230394 [0,2,0,0,0,0|1,1,0]=4 8453 B11R0.82 CCSCC(=O)NCC(C)(C)C 527a_100000743828_100000230394 [0,2,0,0,0,0|1,1,0]=4 8454 B11R0.82 CCSCC(=O)NCC(C)(C)F 11a_100020643315_100000230394 [0,2,0,0,0,0|1,1,0]=4 8455 B11R0.82 CCSCC(=O)NCC(C)(C)F 1626a_100020643315_100000230394 [0,2,0,0,0,0|1,1,0]=4 8456 B11R0.82 CCSCC(=O)NCC(C)(C)F 240690a_100020643315_100000230394 [0,2,0,0,0,0|1,1,0]=4 8457 B11R0.82 CCSCC(=O)NCC(C)(C)F 527a_100020643315_100000230394 [0,2,0,0,0,0|1,1,0]=4 8458 B11R0.82 CCSCC(=O)NCC(C)(C)O 1626a_100000751335_100000230394 [0,2,0,0,0,0|1,1,0]=4 8459 B11R0.82 CCSCC(=O)NCC(C)(C)O 240690a_100000751335_100000230394 [0,2,0,0,0,0|1,1,0]=4 8460 B11R0.82 CCSCC(=O)NCC(C)(C)O 527a_100000751335_100000230394 [0,2,0,0,0,0|1,1,0]=4 8461 B11R0.82 CCSCC(=O)OCC(C)(C)C 62a_100000210202_200010402935 [0,2,0,0,0,0|1,1,0]=4 8462 B11R0.82 CCSCC(=O)OCC(C)(C)C 62a_200010402935_100000210202 [0,2,0,0,0,0|1,1,0]=4 8463 B11R0.82 COC=CC(=O)CCC(C)(C)C 1458a_100016268678_100000755188 [0,2,0,0,0,0|1,0,1]=4 8464 B11R0.82 COCCC(=O)CCC(C)(C)C 1458a_100000749529_100000755188 [0,2,0,0,0,0|1,0,0]=3 8465 B11R0.82 COCCC(=O)CCC(C)(C)C 1458a_100000757465_100000233755 [0,2,0,0,0,0|1,0,0]=3 8466 B11R0.82 COCCC(=O)CCC(C)(F)F 1458a_100000030992_100000233755 [0,2,0,0,0,0|2,0,0]=4 8467 B11R0.82 COCCC(=O)CC[N+](C)(C)C 1458a_100000749529_100000085578 [0,2,0,0,0,0|2,0,0]=4 8468 B11R0.82 COCCC(=O)CC[Si](C)(C)C 1458a_100000749529_200000733723 [0,2,0,0,0,0|1,1,0]=4 8469 B11R0.82 COCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000233755 [0,2,0,0,0,0|1,1,0]=4 8470 B11R0.82 COCCC(=O)COC(C)(C)C 1458a_100000686494_100000233755 [0,2,0,0,0,0|2,0,0]=4 8471 B11R0.82 COCCC(=O)NCC(C)(C)C 11a_100000743828_100000749529 [0,2,0,0,0,0|2,0,0]=4 8472 B11R0.82 COCCC(=O)NCC(C)(C)C 1626a_100000743828_100000749529 [0,2,0,0,0,0|2,0,0]=4 8473 B11R0.82 COCCC(=O)NCC(C)(C)C 240690a_100000743828_100000749529 [0,2,0,0,0,0|2,0,0]=4 8474 B11R0.82 COCCC(=O)NCC(C)(C)C 527a_100000743828_100000749529 [0,2,0,0,0,0|2,0,0]=4 8475 B11R0.82 COCCC(=O)NCC(C)(C)F 11a_100020643315_100000749529 [0,2,0,0,0,0|2,0,0]=4 8476 B11R0.82 COCCC(=O)NCC(C)(C)F 1626a_100020643315_100000749529 [0,2,0,0,0,0|2,0,0]=4 8477 B11R0.82 COCCC(=O)NCC(C)(C)F 240690a_100020643315_100000749529 [0,2,0,0,0,0|2,0,0]=4 8478 B11R0.82 COCCC(=O)NCC(C)(C)F 527a_100020643315_100000749529 [0,2,0,0,0,0|2,0,0]=4 8479 B11R0.82 COCCC(=O)NCC(C)(C)O 1626a_100000751335_100000749529 [0,2,0,0,0,0|2,0,0]=4 8480 B11R0.82 COCCC(=O)NCC(C)(C)O 240690a_100000751335_100000749529 [0,2,0,0,0,0|2,0,0]=4 8481 B11R0.82 COCCC(=O)NCC(C)(C)O 527a_100000751335_100000749529 [0,2,0,0,0,0|2,0,0]=4 8482 B11R0.82 CSCCC(=O)CCC(C)(C)C 1458a_100000174002_100000755188 [0,2,0,0,0,0|1,0,0]=3 8483 B11R0.82 CSCCC(=O)CCC(C)(C)C 1458a_100000757465_100000751147 [0,2,0,0,0,0|1,0,0]=3 8484 B11R0.82 CSCCC(=O)CCC(C)(F)F 1458a_100000030992_100000751147 [0,2,0,0,0,0|2,0,0]=4 8485 B11R0.82 CSCCC(=O)CC[N+](C)(C)C 1458a_100000174002_100000085578 [0,2,0,0,0,0|2,0,0]=4 8486 B11R0.82 CSCCC(=O)CC[Si](C)(C)C 1458a_100000174002_200000733723 [0,2,0,0,0,0|1,1,0]=4 8487 B11R0.82 CSCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000751147 [0,2,0,0,0,0|1,1,0]=4 8488 B11R0.82 CSCCC(=O)COC(C)(C)C 1458a_100000686494_100000751147 [0,2,0,0,0,0|2,0,0]=4 8489 B11R0.82 CSCCC(=O)NCC(C)(C)C 11a_100000743828_100000174002 [0,2,0,0,0,0|2,0,0]=4 8490 B11R0.82 CSCCC(=O)NCC(C)(C)C 1626a_100000743828_100000174002 [0,2,0,0,0,0|2,0,0]=4 8491 B11R0.82 CSCCC(=O)NCC(C)(C)C 240690a_100000743828_100000174002 [0,2,0,0,0,0|2,0,0]=4 8492 B11R0.82 CSCCC(=O)NCC(C)(C)C 527a_100000743828_100000174002 [0,2,0,0,0,0|2,0,0]=4 8493 B11R0.82 CSCCC(=O)NCC(C)(C)F 11a_100020643315_100000174002 [0,2,0,0,0,0|2,0,0]=4 8494 B11R0.82 CSCCC(=O)NCC(C)(C)F 1626a_100020643315_100000174002 [0,2,0,0,0,0|2,0,0]=4 8495 B11R0.82 CSCCC(=O)NCC(C)(C)F 240690a_100020643315_100000174002 [0,2,0,0,0,0|2,0,0]=4 8496 B11R0.82 CSCCC(=O)NCC(C)(C)F 527a_100020643315_100000174002 [0,2,0,0,0,0|2,0,0]=4 8497 B11R0.82 CSCCC(=O)NCC(C)(C)O 1626a_100000751335_100000174002 [0,2,0,0,0,0|2,0,0]=4 8498 B11R0.82 CSCCC(=O)NCC(C)(C)O 240690a_100000751335_100000174002 [0,2,0,0,0,0|2,0,0]=4 8499 B11R0.82 CSCCC(=O)NCC(C)(C)O 527a_100000751335_100000174002 [0,2,0,0,0,0|2,0,0]=4 8500 B11R0.82 C[Si](C)(C)CCC(=O)CCCF 1458a_100011215282_100011934791 [0,2,0,0,0,0|1,1,0]=4 8501 B11R0.82 C[Si](C)(C)CCC(=O)CCCO 1458a_100011215282_100011215043 [0,2,0,0,0,0|1,1,0]=4 8502 B11R0.82 C[Si](C)(C)CCC(=O)NCCF 1626a_100000724931_100011215282 [0,2,0,0,0,0|1,1,0]=4 8503 B11R0.82 C[Si](C)(C)CCC(=O)NCCF 240690a_100000724931_100011215282 [0,2,0,0,0,0|1,1,0]=4 8504 B11R0.82 C[Si](C)(C)CCC(=O)NCCF 527a_100000724931_100011215282 [0,2,0,0,0,0|1,1,0]=4 8505 B11R0.82 C[Si](C)(C)CCC(=O)NCCO 240690a_100000210304_100011215282 [0,2,0,0,0,0|1,1,0]=4 8506 B11R0.82 C[Si](C)(C)CCC(=O)NCCO 527a_100000210304_100011215282 [0,2,0,0,0,0|1,1,0]=4 8507 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_100000181311_100000730704 [0,2,0,0,0,0|1,0,0]=3 8508 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_200000688413_100000210312 [0,2,0,0,0,0|1,0,0]=3 8509 B11R0.85 C=C(C)CCC(=O)CCC(C)O 1458a_200000688413_100012276601 [0,2,0,0,0,0|2,0,0]=4 8510 B11R0.85 C=C(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000730704 [0,2,0,0,0,0|2,0,0]=4 8511 B11R0.85 C=C(C)CCC(=O)COC(C)C 1458a_100000745533_100000730704 [0,2,0,0,0,0|0,0,2]=4 8512 B11R0.85 C=C(C)CCC(=O)CSC(C)C 1458a_100000241585_100000730704 [0,2,0,0,0,0|2,0,0]=4 8513 B11R0.85 C=C(C)CCC(=O)NCC(C)C 11a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 8514 B11R0.85 C=C(C)CCC(=O)NCC(C)C 1626a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 8515 B11R0.85 C=C(C)CCC(=O)NCC(C)C 240690a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 8516 B11R0.85 C=C(C)CCC(=O)NCC(C)C 527a_100000210953_200000688413 [0,2,0,0,0,0|2,0,0]=4 8517 B11R0.85 C=C(C)CNC(=O)CCC(C)C 11a_100000765925_100000181311 [0,2,0,0,0,0|1,0,0]=3 8518 B11R0.85 C=C(C)CNC(=O)CCC(C)C 1626a_100000765925_100000181311 [0,2,0,0,0,0|1,0,0]=3 8519 B11R0.85 C=C(C)CNC(=O)CCC(C)C 240690a_100000765925_100000181311 [0,2,0,0,0,0|1,0,0]=3 8520 B11R0.85 C=C(C)CNC(=O)CCC(C)C 527a_100000765925_100000181311 [0,2,0,0,0,0|1,0,0]=3 8521 B11R0.85 C=C(C)CNC(=O)CCC(C)O 1626a_100000765925_100000718519 [0,2,0,0,0,0|2,0,0]=4 8522 B11R0.85 C=C(C)CNC(=O)CCN(C)C 11a_100000765925_100000689311 [0,2,0,0,0,0|2,0,0]=4 8523 B11R0.85 C=C(C)CNC(=O)CCN(C)C 240690a_100000765925_100000689311 [0,2,0,0,0,0|2,0,0]=4 8524 B11R0.85 C=C(C)CNC(=O)CCN(C)C 527a_100000765925_100000689311 [0,2,0,0,0,0|2,0,0]=4 8525 B11R0.85 C=C(C)CNC(=O)CC[S+](C)C 11a_100000765925_100009452791 [0,2,0,0,0,0|2,0,0]=4 8526 B11R0.85 C=C(C)CNC(=O)CC[S+](C)C 1626a_100000765925_100009452791 [0,2,0,0,0,0|2,0,0]=4 8527 B11R0.85 C=C(C)CNC(=O)CC[S+](C)C 240690a_100000765925_100009452791 [0,2,0,0,0,0|2,0,0]=4 8528 B11R0.85 C=C(C)CNC(=O)COC(C)C 11a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 8529 B11R0.85 C=C(C)CNC(=O)COC(C)C 1626a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 8530 B11R0.85 C=C(C)CNC(=O)COC(C)C 240690a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 8531 B11R0.85 C=C(C)CNC(=O)COC(C)C 527a_100000765925_100000745533 [0,2,0,0,0,0|2,0,0]=4 8532 B11R0.85 C=C(C)CNC(=O)CSC(C)C 11a_100000765925_100000241585 [0,2,0,0,0,0|2,0,0]=4 8533 B11R0.85 C=C(C)CNC(=O)CSC(C)C 1626a_100000765925_100000241585 [0,2,0,0,0,0|2,0,0]=4 8534 B11R0.85 C=C(C)CNC(=O)CSC(C)C 240690a_100000765925_100000241585 [0,2,0,0,0,0|2,0,0]=4 8535 B11R0.85 C=C(C)CNC(=O)CSC(C)C 527a_100000765925_100000241585 [0,2,0,0,0,0|2,0,0]=4 8536 B11R0.85 C=C(C)CNC(=O)NCC(C)C 2708a_100000210953_100000765925 [0,2,0,0,0,0|2,0,0]=4 8537 B11R0.85 C=C(C)CNC(=O)NCC(C)C 2708a_100000765925_100000210953 [0,2,0,0,0,0|2,0,0]=4 8538 B11R0.85 C=C(C)CNC(=O)NCC(C)C 273464a_100000210953_100000765925 [0,2,0,0,0,0|2,0,0]=4 8539 B11R0.85 C=C(C)CNC(=O)NCC(C)C 273464a_100000765925_100000210953 [0,2,0,0,0,0|2,0,0]=4 8540 B11R0.85 C=C(C)CNC(=O)NCC(C)C 512a_100000210953_100000765925 [0,2,0,0,0,0|2,0,0]=4 8541 B11R0.85 C=C(C)CNC(=O)NCC(C)C 512a_100000765925_100000210953 [0,2,0,0,0,0|2,0,0]=4 8542 B11R0.85 C=C(C)COC(C)CCC(C)C 34a_100000210245_100011261404 [0,2,0,0,0,0|1,0,1]=4 8543 B11R0.85 C=C(C)COC(C)CCC(C)C 34a_100011215350_100000748629 [0,2,0,0,0,0|1,0,1]=4 8544 B11R0.85 C=C(C)COC(C)CCC(C)C 7a_100011215350_100000748629 [0,2,0,0,0,0|1,0,1]=4 8545 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100000181311_100000761012 [0,2,0,0,0,0|1,0,1]=4 8546 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100011220947_100000210312 [0,2,0,0,0,0|1,0,1]=4 8547 B11R0.85 CC(=CCC(=O)COC(C)C)C 1458a_100000745533_100000761012 [0,2,0,0,0,0|0,0,2]=4 8548 B11R0.85 CC(=NNC(C)C)CCC(C)C 4a_100000741168_100000210476 [0,2,0,0,0,0|2,0,0]=4 8549 B11R0.85 CC(=O)CNC(=O)CCC(C)C 1458a_100000205584_200000210301 [0,2,0,0,0,0|1,0,0]=3 8550 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [0,2,0,0,0,0|1,0,1]=4 8551 B11R0.85 CC(=O)NCC(=O)CCC(C)C 1458a_100000194580_100000210312 [0,2,0,0,0,0|1,0,1]=4 8552 B11R0.85 CC(=O)NNC(=O)CCC(C)C 22a_100000189765_100000181311 [0,2,0,0,0,0|1,0,1]=4 8553 B11R0.85 CC(=O)OCC(=O)CCC(C)C 1458a_100000183556_100000210312 [0,2,0,0,0,0|0,0,1]=3 8554 B11R0.85 CC(=O)OCC(=O)CCC(C)O 1458a_100000183556_100012276601 [0,2,0,0,0,0|1,0,1]=4 8555 B11R0.85 CC(=O)OCC(=O)CNC(C)C 34a_100138425928_100000036994 [0,2,0,0,0,0|1,0,1]=4 8556 B11R0.85 CC(=O)OCC(=O)COC(C)C 34a_100000212225_100000036994 [0,2,0,0,0,0|1,0,1]=4 8557 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000036994_100000210206 [0,2,0,0,0,0|1,0,1]=4 8558 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000210206_100000036994 [0,2,0,0,0,0|1,0,1]=4 8559 B11R0.85 CC(=O)OCC(=O)NCC(C)C 1626a_100000210953_100000183556 [0,2,0,0,0,0|1,0,1]=4 8560 B11R0.85 CC(=O)OCC(=O)NCC(C)C 240690a_100000210953_100000183556 [0,2,0,0,0,0|1,0,1]=4 8561 B11R0.85 CC(=O)OCC(=O)NCC(C)C 527a_100000210953_100000183556 [0,2,0,0,0,0|1,0,1]=4 8562 B11R0.85 CC(=O)SCC(=O)CCC(C)C 1458a_100000049016_100000210312 [0,2,0,0,0,0|0,1,1]=4 8563 B11R0.85 CC(C)C=CC(=O)CCC(C)C 1458a_100016268746_100000210312 [0,2,0,0,0,0|1,0,0]=3 8564 B11R0.85 CC(C)C=CC(=O)CCC(C)O 1458a_100016268746_100012276601 [0,2,0,0,0,0|2,0,0]=4 8565 B11R0.85 CC(C)C=CC(=O)NCC(C)C 11a_100000210953_100016268746 [0,2,0,0,0,0|2,0,0]=4 8566 B11R0.85 CC(C)C=CC(=O)NCC(C)C 1626a_100000210953_100016268746 [0,2,0,0,0,0|2,0,0]=4 8567 B11R0.85 CC(C)C=CC(=O)NCC(C)C 240690a_100000210953_100016268746 [0,2,0,0,0,0|2,0,0]=4 8568 B11R0.85 CC(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000210312 [0,2,0,0,0,0|1,0,1]=4 8569 B11R0.85 CC(C)CCC(=O)CCC(C)C 1458a_100000181311_100000210312 [0,2,0,0,0,0|1,0,0]=3 8570 B11R0.85 CC(C)CCC(=O)CCC(C)O 1458a_100000181311_100012276601 [0,2,0,0,0,0|1,0,0]=3 8571 B11R0.85 CC(C)CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210312 [0,2,0,0,0,0|2,0,0]=4 8572 B11R0.85 CC(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000210312 [0,2,0,0,0,0|1,0,0]=3 8573 B11R0.85 CC(C)CCC(=O)COC(C)C 1458a_100000745533_100000210312 [0,2,0,0,0,0|0,0,0]=2 8574 B11R0.85 CC(C)CCC(=O)COC(F)F 1458a_200000719455_100000210312 [0,2,0,0,0,0|1,0,0]=3 8575 B11R0.85 CC(C)CCC(=O)CSC(C)C 1458a_100000241585_100000210312 [0,2,0,0,0,0|0,1,0]=3 8576 B11R0.85 CC(C)CCC(=O)CSC(F)F 1458a_114828291038_100000210312 [0,2,0,0,0,0|1,1,0]=4 8577 B11R0.85 CC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000181311 [0,2,0,0,0,0|1,0,1]=4 8578 B11R0.85 CC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000181311 [0,2,0,0,0,0|1,0,1]=4 8579 B11R0.85 CC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000181311 [0,2,0,0,0,0|1,0,1]=4 8580 B11R0.85 CC(C)CCC(=O)NCC(=O)[13CH3] 1458a_100000205584_200025704644 [0,2,0,0,0,0|1,0,0]=3 8581 B11R0.85 CC(C)CCC(=O)NCC(C)C 11a_100000210953_100000181311 [0,2,0,0,0,0|1,0,0]=3 8582 B11R0.85 CC(C)CCC(=O)NCC(C)C 1626a_100000210953_100000181311 [0,2,0,0,0,0|1,0,0]=3 8583 B11R0.85 CC(C)CCC(=O)NCC(C)C 240690a_100000210953_100000181311 [0,2,0,0,0,0|1,0,0]=3 8584 B11R0.85 CC(C)CCC(=O)NCC(C)C 527a_100000210953_100000181311 [0,2,0,0,0,0|1,0,0]=3 8585 B11R0.85 CC(C)CCC(=O)NCC(C)O 11a_100000210904_100000181311 [0,2,0,0,0,0|1,0,0]=3 8586 B11R0.85 CC(C)CCC(=O)NCC(C)O 240690a_100000210904_100000181311 [0,2,0,0,0,0|1,0,0]=3 8587 B11R0.85 CC(C)CCC(=O)NCC(C)O 527a_100000210904_100000181311 [0,2,0,0,0,0|1,0,0]=3 8588 B11R0.85 CC(C)CCC(=O)NCC(F)F 11a_100000765723_100000181311 [0,2,0,0,0,0|1,0,0]=3 8589 B11R0.85 CC(C)CCC(=O)NCC(F)F 1626a_100000765723_100000181311 [0,2,0,0,0,0|1,0,0]=3 8590 B11R0.85 CC(C)CCC(=O)NCC(F)F 240690a_100000765723_100000181311 [0,2,0,0,0,0|1,0,0]=3 8591 B11R0.85 CC(C)CCC(=O)NCC(F)F 527a_100000765723_100000181311 [0,2,0,0,0,0|1,0,0]=3 8592 B11R0.85 CC(C)CCC(=O)NNC(C)C 22a_100000741168_100000181311 [0,2,0,0,0,0|1,0,0]=3 8593 B11R0.85 CC(C)CCC(C)OCC(C)Br 34a_100012180447_100011261404 [0,2,0,0,0,0|1,0,1]=4 8594 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100000210257_100011261404 [0,2,0,0,0,0|1,0,1]=4 8595 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100011215350_100000210624 [0,2,0,0,0,0|1,0,1]=4 8596 B11R0.85 CC(C)CCC(C)OCC(C)C 7a_100011215350_100000210760 [0,2,0,0,0,0|1,0,1]=4 8597 B11R0.85 CC(C)CCC(C)OCC(C)F 34a_100015925927_100011261404 [0,2,0,0,0,0|1,0,1]=4 8598 B11R0.85 CC(C)CCC(C)OCC(C)O 34a_100011215350_100011218427 [0,2,0,0,0,0|1,0,1]=4 8599 B11R0.85 CC(C)CCC(C)OCC(C)O 7a_100011215350_100011218427 [0,2,0,0,0,0|1,0,1]=4 8600 B11R0.85 CC(C)CCC(C)OCC(F)F 34a_100000743014_100011261404 [0,2,0,0,0,0|1,0,1]=4 8601 B11R0.85 CC(C)CCC(C)OCC(F)F 34a_100011215350_100011934356 [0,2,0,0,0,0|1,0,1]=4 8602 B11R0.85 CC(C)CCC(C)OCC(F)F 7a_100011215350_100011934356 [0,2,0,0,0,0|1,0,1]=4 8603 B11R0.85 CC(C)CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011261404 [0,2,0,0,0,0|1,0,1]=4 8604 B11R0.85 CC(C)CCC(C)OC[C@@H](C)N 34a_100000737577_100011261404 [0,2,0,0,0,0|1,0,1]=4 8605 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 34a_100011215350_100009817552 [0,2,0,0,0,0|1,0,1]=4 8606 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 7a_100011215350_100009817552 [0,2,0,0,0,0|1,0,1]=4 8607 B11R0.85 CC(C)CCN(C)COC(C)C 2230a_100000742789_100000709892 [0,2,0,0,0,0|2,0,0]=4 8608 B11R0.85 CC(C)CCN(C)COC(C)C 269982a_100000742789_100000709892 [0,2,0,0,0,0|2,0,0]=4 8609 B11R0.85 CC(C)CNC(=O)CCC(C)O 1626a_100000210953_100000718519 [0,2,0,0,0,0|2,0,0]=4 8610 B11R0.85 CC(C)CNC(=O)CCN(C)C 11a_100000210953_100000689311 [0,2,0,0,0,0|2,0,0]=4 8611 B11R0.85 CC(C)CNC(=O)CCN(C)C 240690a_100000210953_100000689311 [0,2,0,0,0,0|2,0,0]=4 8612 B11R0.85 CC(C)CNC(=O)CCN(C)C 527a_100000210953_100000689311 [0,2,0,0,0,0|2,0,0]=4 8613 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 11a_100000210953_100009452791 [0,2,0,0,0,0|2,0,0]=4 8614 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 1626a_100000210953_100009452791 [0,2,0,0,0,0|2,0,0]=4 8615 B11R0.85 CC(C)CNC(=O)CC[S+](C)C 240690a_100000210953_100009452791 [0,2,0,0,0,0|2,0,0]=4 8616 B11R0.85 CC(C)CNC(=O)CNC(C)C 2230a_100138425928_100000183291 [0,2,0,0,0,0|2,0,0]=4 8617 B11R0.85 CC(C)CNC(=O)CNC(C)C 34a_100138425928_100000183291 [0,2,0,0,0,0|2,0,0]=4 8618 B11R0.85 CC(C)CNC(=O)COC(C)C 11a_100000210953_100000745533 [0,2,0,0,0,0|1,0,0]=3 8619 B11R0.85 CC(C)CNC(=O)COC(C)C 1626a_100000210953_100000745533 [0,2,0,0,0,0|1,0,0]=3 8620 B11R0.85 CC(C)CNC(=O)COC(C)C 240690a_100000210953_100000745533 [0,2,0,0,0,0|1,0,0]=3 8621 B11R0.85 CC(C)CNC(=O)COC(C)C 34a_100000212225_100000183291 [0,2,0,0,0,0|1,0,0]=3 8622 B11R0.85 CC(C)CNC(=O)COC(C)C 527a_100000210953_100000745533 [0,2,0,0,0,0|1,0,0]=3 8623 B11R0.85 CC(C)CNC(=O)COC(F)F 11a_100000210953_200000719455 [0,2,0,0,0,0|2,0,0]=4 8624 B11R0.85 CC(C)CNC(=O)COC(F)F 1626a_100000210953_200000719455 [0,2,0,0,0,0|2,0,0]=4 8625 B11R0.85 CC(C)CNC(=O)COC(F)F 240690a_100000210953_200000719455 [0,2,0,0,0,0|2,0,0]=4 8626 B11R0.85 CC(C)CNC(=O)COC(F)F 527a_100000210953_200000719455 [0,2,0,0,0,0|2,0,0]=4 8627 B11R0.85 CC(C)CNC(=O)CSC(C)C 11a_100000210953_100000241585 [0,2,0,0,0,0|1,1,0]=4 8628 B11R0.85 CC(C)CNC(=O)CSC(C)C 1626a_100000210953_100000241585 [0,2,0,0,0,0|1,1,0]=4 8629 B11R0.85 CC(C)CNC(=O)CSC(C)C 240690a_100000210953_100000241585 [0,2,0,0,0,0|1,1,0]=4 8630 B11R0.85 CC(C)CNC(=O)CSC(C)C 527a_100000210953_100000241585 [0,2,0,0,0,0|1,1,0]=4 8631 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000183291_100000210206 [0,2,0,0,0,0|1,1,0]=4 8632 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000210206_100000183291 [0,2,0,0,0,0|1,1,0]=4 8633 B11R0.85 CC(C)CNC(=O)NCC(C)C 2708a_100000210953_100000210953 [0,2,0,0,0,0|2,0,0]=4 8634 B11R0.85 CC(C)CNC(=O)NCC(C)C 273464a_100000210953_100000210953 [0,2,0,0,0,0|2,0,0]=4 8635 B11R0.85 CC(C)CNC(=O)NCC(C)C 512a_100000210953_100000210953 [0,2,0,0,0,0|2,0,0]=4 8636 B11R0.85 CC(C)CNC(=O)NCC(C)O 2708a_100000210953_100000210904 [0,2,0,0,0,0|2,0,0]=4 8637 B11R0.85 CC(C)CNC(=O)NCC(C)O 273464a_100000210904_100000210953 [0,2,0,0,0,0|2,0,0]=4 8638 B11R0.85 CC(C)CNC(=O)NCC(C)O 273464a_100000210953_100000210904 [0,2,0,0,0,0|2,0,0]=4 8639 B11R0.85 CC(C)CNC(=O)NCC(C)O 512a_100000210904_100000210953 [0,2,0,0,0,0|2,0,0]=4 8640 B11R0.85 CC(C)CNC(=O)NCC(C)O 512a_100000210953_100000210904 [0,2,0,0,0,0|2,0,0]=4 8641 B11R0.85 CC(C)CNC(=O)NCC(F)F 2708a_100000210953_100000765723 [0,2,0,0,0,0|2,0,0]=4 8642 B11R0.85 CC(C)CNC(=O)NCC(F)F 273464a_100000210953_100000765723 [0,2,0,0,0,0|2,0,0]=4 8643 B11R0.85 CC(C)CNC(=O)NCC(F)F 273464a_100000765723_100000210953 [0,2,0,0,0,0|2,0,0]=4 8644 B11R0.85 CC(C)CNC(=O)NCC(F)F 512a_100000210953_100000765723 [0,2,0,0,0,0|2,0,0]=4 8645 B11R0.85 CC(C)CNC(=O)NCC(F)F 512a_100000765723_100000210953 [0,2,0,0,0,0|2,0,0]=4 8646 B11R0.85 CC(C)CNC(=O)NNC(C)C 273464a_100000210953_100000741168 [0,2,0,0,0,0|2,0,0]=4 8647 B11R0.85 CC(C)CNC(=O)NNC(C)C 512a_100000210953_100000741168 [0,2,0,0,0,0|2,0,0]=4 8648 B11R0.85 CC(C)CNC(=O)NNC(C)C 512a_100000741168_100000210953 [0,2,0,0,0,0|2,0,0]=4 8649 B11R0.85 CC(C)NNC(=O)CCN(C)C 22a_100000741168_100000689311 [0,2,0,0,0,0|2,0,0]=4 8650 B11R0.85 CC(C)NNC(=O)CC[S+](C)C 22a_100000741168_100009452791 [0,2,0,0,0,0|2,0,0]=4 8651 B11R0.85 CC(C)NNC(=O)COC(C)C 22a_100000741168_100000745533 [0,2,0,0,0,0|2,0,0]=4 8652 B11R0.85 CC(C)NNC(=O)CSC(C)C 22a_100000741168_100000241585 [0,2,0,0,0,0|2,0,0]=4 8653 B11R0.85 CC(C)OCC(=O)NCC(F)F 11a_100000765723_100000745533 [0,2,0,0,0,0|2,0,0]=4 8654 B11R0.85 CC(C)OCC(=O)NCC(F)F 1626a_100000765723_100000745533 [0,2,0,0,0,0|2,0,0]=4 8655 B11R0.85 CC(C)OCC(=O)NCC(F)F 240690a_100000765723_100000745533 [0,2,0,0,0,0|2,0,0]=4 8656 B11R0.85 CC(C)OCC(=O)NCC(F)F 527a_100000765723_100000745533 [0,2,0,0,0,0|2,0,0]=4 8657 B11R0.85 CC(C)SCC(=O)NCC(F)F 11a_100000765723_100000241585 [0,2,0,0,0,0|2,0,0]=4 8658 B11R0.85 CC(C)SCC(=O)NCC(F)F 1626a_100000765723_100000241585 [0,2,0,0,0,0|2,0,0]=4 8659 B11R0.85 CC(C)SCC(=O)NCC(F)F 240690a_100000765723_100000241585 [0,2,0,0,0,0|2,0,0]=4 8660 B11R0.85 CC(C)SCC(=O)NCC(F)F 527a_100000765723_100000241585 [0,2,0,0,0,0|2,0,0]=4 8661 B11R0.85 CC(O)CCC(=O)CC[S+](C)C 1458a_100009452791_100012276601 [0,2,0,0,0,0|2,0,0]=4 8662 B11R0.85 CC(O)CCC(=O)COC(C)C 1458a_100000745533_100012276601 [0,2,0,0,0,0|1,0,0]=3 8663 B11R0.85 CC(O)CCC(=O)COC(F)F 1458a_200000719455_100012276601 [0,2,0,0,0,0|2,0,0]=4 8664 B11R0.85 CC(O)CCC(=O)CSC(C)C 1458a_100000241585_100012276601 [0,2,0,0,0,0|1,1,0]=4 8665 B11R0.85 CC(O)CCC(=O)NCC(F)F 1626a_100000765723_100000718519 [0,2,0,0,0,0|2,0,0]=4 8666 B11R0.85 CC(O)CNC(=O)CCN(C)C 11a_100000210904_100000689311 [0,2,0,0,0,0|2,0,0]=4 8667 B11R0.85 CC(O)CNC(=O)CCN(C)C 240690a_100000210904_100000689311 [0,2,0,0,0,0|2,0,0]=4 8668 B11R0.85 CC(O)CNC(=O)CCN(C)C 527a_100000210904_100000689311 [0,2,0,0,0,0|2,0,0]=4 8669 B11R0.85 CC(O)CNC(=O)CC[S+](C)C 11a_100000210904_100009452791 [0,2,0,0,0,0|2,0,0]=4 8670 B11R0.85 CC(O)CNC(=O)CC[S+](C)C 240690a_100000210904_100009452791 [0,2,0,0,0,0|2,0,0]=4 8671 B11R0.85 CC(O)CNC(=O)COC(C)C 11a_100000210904_100000745533 [0,2,0,0,0,0|2,0,0]=4 8672 B11R0.85 CC(O)CNC(=O)COC(C)C 240690a_100000210904_100000745533 [0,2,0,0,0,0|2,0,0]=4 8673 B11R0.85 CC(O)CNC(=O)COC(C)C 527a_100000210904_100000745533 [0,2,0,0,0,0|2,0,0]=4 8674 B11R0.85 CC(O)CNC(=O)CSC(C)C 11a_100000210904_100000241585 [0,2,0,0,0,0|2,0,0]=4 8675 B11R0.85 CC(O)CNC(=O)CSC(C)C 240690a_100000210904_100000241585 [0,2,0,0,0,0|2,0,0]=4 8676 B11R0.85 CC(O)CNC(=O)CSC(C)C 527a_100000210904_100000241585 [0,2,0,0,0,0|2,0,0]=4 8677 B11R0.85 CN(C)CCC(=O)NCC(F)F 11a_100000765723_100000689311 [0,2,0,0,0,0|2,0,0]=4 8678 B11R0.85 CN(C)CCC(=O)NCC(F)F 240690a_100000765723_100000689311 [0,2,0,0,0,0|2,0,0]=4 8679 B11R0.85 CN(C)CCC(=O)NCC(F)F 527a_100000765723_100000689311 [0,2,0,0,0,0|2,0,0]=4 8680 B11R0.85 C[S+](C)CCC(=O)NCC(F)F 11a_100000765723_100009452791 [0,2,0,0,0,0|2,0,0]=4 8681 B11R0.85 C[S+](C)CCC(=O)NCC(F)F 1626a_100000765723_100009452791 [0,2,0,0,0,0|2,0,0]=4 8682 B11R0.85 C[S+](C)CCC(=O)NCC(F)F 240690a_100000765723_100009452791 [0,2,0,0,0,0|2,0,0]=4 8683 B11R0.93 C#CC(C)NC(=O)CCC(C)C 11a_100000707721_100000181311 [0,2,0,0,0,0|1,0,0]=3 8684 B11R0.93 C#CC(C)NC(=O)CCC(C)C 1626a_100000707721_100000181311 [0,2,0,0,0,0|1,0,0]=3 8685 B11R0.93 C#CC(C)NC(=O)CCC(C)C 240690a_100000707721_100000181311 [0,2,0,0,0,0|1,0,0]=3 8686 B11R0.93 C#CC(C)NC(=O)CCC(C)C 527a_100000707721_100000181311 [0,2,0,0,0,0|1,0,0]=3 8687 B11R0.93 C#CC(C)NC(=O)CCC(C)O 1626a_100000707721_100000718519 [0,2,0,0,0,0|2,0,0]=4 8688 B11R0.93 C#CC(C)NC(=O)CCN(C)C 11a_100000707721_100000689311 [0,2,0,0,0,0|2,0,0]=4 8689 B11R0.93 C#CC(C)NC(=O)CCN(C)C 240690a_100000707721_100000689311 [0,2,0,0,0,0|2,0,0]=4 8690 B11R0.93 C#CC(C)NC(=O)CCN(C)C 527a_100000707721_100000689311 [0,2,0,0,0,0|2,0,0]=4 8691 B11R0.93 C#CC(C)NC(=O)CC[S+](C)C 11a_100000707721_100009452791 [0,2,0,0,0,0|2,0,0]=4 8692 B11R0.93 C#CC(C)NC(=O)CC[S+](C)C 1626a_100000707721_100009452791 [0,2,0,0,0,0|2,0,0]=4 8693 B11R0.93 C#CC(C)NC(=O)CC[S+](C)C 240690a_100000707721_100009452791 [0,2,0,0,0,0|2,0,0]=4 8694 B11R0.93 C#CC(C)NC(=O)COC(C)C 11a_100000707721_100000745533 [0,2,0,0,0,0|2,0,0]=4 8695 B11R0.93 C#CC(C)NC(=O)COC(C)C 1626a_100000707721_100000745533 [0,2,0,0,0,0|2,0,0]=4 8696 B11R0.93 C#CC(C)NC(=O)COC(C)C 240690a_100000707721_100000745533 [0,2,0,0,0,0|2,0,0]=4 8697 B11R0.93 C#CC(C)NC(=O)COC(C)C 527a_100000707721_100000745533 [0,2,0,0,0,0|2,0,0]=4 8698 B11R0.93 C#CC(C)NC(=O)CSC(C)C 11a_100000707721_100000241585 [0,2,0,0,0,0|2,0,0]=4 8699 B11R0.93 C#CC(C)NC(=O)CSC(C)C 1626a_100000707721_100000241585 [0,2,0,0,0,0|2,0,0]=4 8700 B11R0.93 C#CC(C)NC(=O)CSC(C)C 240690a_100000707721_100000241585 [0,2,0,0,0,0|2,0,0]=4 8701 B11R0.93 C#CC(C)NC(=O)CSC(C)C 527a_100000707721_100000241585 [0,2,0,0,0,0|2,0,0]=4 8702 B11R0.93 C#CC(C)NC(=O)NCC(C)C 2708a_100000210953_100000707721 [0,2,0,0,0,0|2,0,0]=4 8703 B11R0.93 C#CC(C)NC(=O)NCC(C)C 2708a_100000707721_100000210953 [0,2,0,0,0,0|2,0,0]=4 8704 B11R0.93 C#CC(C)NC(=O)NCC(C)C 273464a_100000210953_100000707721 [0,2,0,0,0,0|2,0,0]=4 8705 B11R0.93 C#CC(C)NC(=O)NCC(C)C 273464a_100000707721_100000210953 [0,2,0,0,0,0|2,0,0]=4 8706 B11R0.93 C#CC(C)NC(=O)NCC(C)C 512a_100000210953_100000707721 [0,2,0,0,0,0|2,0,0]=4 8707 B11R0.93 C#CC(C)NC(=O)NCC(C)C 512a_100000707721_100000210953 [0,2,0,0,0,0|2,0,0]=4 8708 B11R0.93 C#CC(C)OC(C)CCC(C)C 34a_100011215350_200000035995 [0,2,0,0,0,0|1,0,1]=4 8709 B11R0.93 C#C[C@@H](C)OC(C)CCC(C)C 34a_100009815206_100011261404 [0,2,0,0,0,0|1,0,1]=4 8710 B11R0.93 C=CC(C)CC(=O)CCC(C)C 1458a_100011934298_100000210312 [0,2,0,0,0,0|1,0,0]=3 8711 B11R0.93 C=CC(C)CC(=O)CCC(C)O 1458a_100011934298_100012276601 [0,2,0,0,0,0|2,0,0]=4 8712 B11R0.93 C=CC(C)CC(=O)NCC(C)C 11a_100000210953_100011934298 [0,2,0,0,0,0|2,0,0]=4 8713 B11R0.93 C=CC(C)CC(=O)NCC(C)C 1626a_100000210953_100011934298 [0,2,0,0,0,0|2,0,0]=4 8714 B11R0.93 C=CC(C)CC(=O)NCC(C)C 240690a_100000210953_100011934298 [0,2,0,0,0,0|2,0,0]=4 8715 B11R0.93 C=CC(C)CC(=O)NCC(C)C 527a_100000210953_100011934298 [0,2,0,0,0,0|2,0,0]=4 8716 B11R0.93 C=CC(C)OC(C)CCC(C)C 34a_100000695699_100011261404 [0,2,0,0,0,0|1,0,1]=4 8717 B11R0.93 CC(C#N)NC(=O)CCN(C)C 11a_100000737613_100000689311 [0,2,0,0,0,0|2,0,0]=4 8718 B11R0.93 CC(C#N)NC(=O)CCN(C)C 527a_100000737613_100000689311 [0,2,0,0,0,0|2,0,0]=4 8719 B11R0.93 CC(C#N)NC(=O)CC[S+](C)C 11a_100000737613_100009452791 [0,2,0,0,0,0|2,0,0]=4 8720 B11R0.93 CC(C#N)NC(=O)CC[S+](C)C 1626a_100000737613_100009452791 [0,2,0,0,0,0|2,0,0]=4 8721 B11R0.93 CC(C#N)NC(=O)COC(C)C 11a_100000737613_100000745533 [0,2,0,0,0,0|2,0,0]=4 8722 B11R0.93 CC(C#N)NC(=O)COC(C)C 1626a_100000737613_100000745533 [0,2,0,0,0,0|2,0,0]=4 8723 B11R0.93 CC(C#N)NC(=O)COC(C)C 527a_100000737613_100000745533 [0,2,0,0,0,0|2,0,0]=4 8724 B11R0.93 CC(C#N)NC(=O)CSC(C)C 11a_100000737613_100000241585 [0,2,0,0,0,0|2,0,0]=4 8725 B11R0.93 CC(C#N)NC(=O)CSC(C)C 1626a_100000737613_100000241585 [0,2,0,0,0,0|2,0,0]=4 8726 B11R0.93 CC(C#N)NC(=O)CSC(C)C 527a_100000737613_100000241585 [0,2,0,0,0,0|2,0,0]=4 8727 B11R0.93 CC(C)CCC(=O)C[C@@H](C)CO 1458a_100000181311_100000059175 [0,2,0,0,0,0|1,0,0]=3 8728 B11R0.93 CC(C)CCC(=O)NC(C)C#N 11a_100000737613_100000181311 [0,2,0,0,0,0|1,0,0]=3 8729 B11R0.93 CC(C)CCC(=O)NC(C)C#N 1626a_100000737613_100000181311 [0,2,0,0,0,0|1,0,0]=3 8730 B11R0.93 CC(C)CCC(=O)NC(C)C#N 527a_100000737613_100000181311 [0,2,0,0,0,0|1,0,0]=3 8731 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 11a_100102880703_100000181311 [0,2,0,0,0,0|1,0,0]=3 8732 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000181311 [0,2,0,0,0,0|1,0,0]=3 8733 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 240690a_100102880703_100000181311 [0,2,0,0,0,0|1,0,0]=3 8734 B11R0.93 CC(C)CCC(=O)N[C@H](C)CF 527a_100102880703_100000181311 [0,2,0,0,0,0|1,0,0]=3 8735 B11R0.93 CC(C)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000181311 [0,2,0,0,0,0|1,0,0]=3 8736 B11R0.93 CC(C)CCC(=O)N[C@H](C)CO 527a_100000737577_100000181311 [0,2,0,0,0,0|1,0,0]=3 8737 B11R0.93 CC(C)CCC(C)OC(C)C#N 34a_100011218135_100011261404 [0,2,0,0,0,0|1,0,1]=4 8738 B11R0.93 CC(C)CCC(C)OC(C)C#N 7a_100011215350_100000703298 [0,2,0,0,0,0|1,0,1]=4 8739 B11R0.93 CC(C)CCC(C)OC(C)CF 34a_100016041109_100011261404 [0,2,0,0,0,0|1,0,1]=4 8740 B11R0.93 CC(C)CCC(C)OC(C)CN 34a_100000210904_100011261404 [0,2,0,0,0,0|1,0,1]=4 8741 B11R0.93 CC(C)CCC(C)OC(C)CO 34a_100011215350_100012180447 [0,2,0,0,0,0|1,0,1]=4 8742 B11R0.93 CC(C)CCC(C)OC(C)CO 7a_100011215350_100012180447 [0,2,0,0,0,0|1,0,1]=4 8743 B11R0.93 CC(C)CNC(=O)NC(C)C#N 2708a_100000210953_100000737613 [0,2,0,0,0,0|2,0,0]=4 8744 B11R0.93 CC(C)CNC(=O)NC(C)C#N 2708a_100000737613_100000210953 [0,2,0,0,0,0|2,0,0]=4 8745 B11R0.93 CC(C)CNC(=O)NC(C)C#N 273464a_100000210953_100000737613 [0,2,0,0,0,0|2,0,0]=4 8746 B11R0.93 CC(C)CNC(=O)NC(C)C#N 273464a_100000737613_100000210953 [0,2,0,0,0,0|2,0,0]=4 8747 B11R0.93 CC(C)CNC(=O)NC(C)C#N 512a_100000210953_100000737613 [0,2,0,0,0,0|2,0,0]=4 8748 B11R0.93 CC(C)CNC(=O)NC(C)C#N 512a_100000737613_100000210953 [0,2,0,0,0,0|2,0,0]=4 8749 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 2708a_100000210953_100102880703 [0,2,0,0,0,0|2,0,0]=4 8750 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 273464a_100000210953_100102880703 [0,2,0,0,0,0|2,0,0]=4 8751 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 273464a_100102880703_100000210953 [0,2,0,0,0,0|2,0,0]=4 8752 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 512a_100000210953_100102880703 [0,2,0,0,0,0|2,0,0]=4 8753 B11R0.93 CC(C)CNC(=O)N[C@H](C)CF 512a_100102880703_100000210953 [0,2,0,0,0,0|2,0,0]=4 8754 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 2708a_100000210953_100000737577 [0,2,0,0,0,0|2,0,0]=4 8755 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 273464a_100000737577_100000210953 [0,2,0,0,0,0|2,0,0]=4 8756 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 512a_100000210953_100000737577 [0,2,0,0,0,0|2,0,0]=4 8757 B11R0.93 CC(C)CNC(=O)N[C@H](C)CO 512a_100000737577_100000210953 [0,2,0,0,0,0|2,0,0]=4 8758 B11R0.93 CC(C)OCC(=O)C[C@@H](C)CO 1458a_100000745533_100000059175 [0,2,0,0,0,0|2,0,0]=4 8759 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 11a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 8760 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 1626a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 8761 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 240690a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 8762 B11R0.93 CC(C)OCC(=O)N[C@H](C)CF 527a_100102880703_100000745533 [0,2,0,0,0,0|2,0,0]=4 8763 B11R0.93 CC(C)OCC(=O)N[C@H](C)CO 240690a_100000737577_100000745533 [0,2,0,0,0,0|2,0,0]=4 8764 B11R0.93 CC(C)OCC(=O)N[C@H](C)CO 527a_100000737577_100000745533 [0,2,0,0,0,0|2,0,0]=4 8765 B11R0.93 CC(C)SCC(=O)C[C@@H](C)CO 1458a_100000241585_100000059175 [0,2,0,0,0,0|2,0,0]=4 8766 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 11a_100102880703_100000241585 [0,2,0,0,0,0|2,0,0]=4 8767 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 1626a_100102880703_100000241585 [0,2,0,0,0,0|2,0,0]=4 8768 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 240690a_100102880703_100000241585 [0,2,0,0,0,0|2,0,0]=4 8769 B11R0.93 CC(C)SCC(=O)N[C@H](C)CF 527a_100102880703_100000241585 [0,2,0,0,0,0|2,0,0]=4 8770 B11R0.93 CC(C)SCC(=O)N[C@H](C)CO 240690a_100000737577_100000241585 [0,2,0,0,0,0|2,0,0]=4 8771 B11R0.93 CC(C)SCC(=O)N[C@H](C)CO 527a_100000737577_100000241585 [0,2,0,0,0,0|2,0,0]=4 8772 B11R0.93 CC(O)CCC(=O)NC(C)C#N 1626a_100000737613_100000718519 [0,2,0,0,0,0|2,0,0]=4 8773 B11R0.93 CC(O)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000718519 [0,2,0,0,0,0|2,0,0]=4 8774 B11R0.93 CCC(=CC(=O)CCC(C)C)C 1458a_100020758463_100000210312 [0,2,0,0,0,0|1,0,0]=3 8775 B11R0.93 CCC(=CC(=O)CCC(C)O)C 1458a_100020758463_100012276601 [0,2,0,0,0,0|2,0,0]=4 8776 B11R0.93 CCC(=CC(=O)NCC(C)C)C 11a_100000210953_100020758463 [0,2,0,0,0,0|2,0,0]=4 8777 B11R0.93 CCC(=CC(=O)NCC(C)C)C 1626a_100000210953_100020758463 [0,2,0,0,0,0|2,0,0]=4 8778 B11R0.93 CCC(=CC(=O)NCC(C)C)C 240690a_100000210953_100020758463 [0,2,0,0,0,0|2,0,0]=4 8779 B11R0.93 CCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747405 [0,2,0,0,0,0|1,0,0]=3 8780 B11R0.93 CCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747405 [0,2,0,0,0,0|2,0,0]=4 8781 B11R0.93 CCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747405 [0,2,0,0,0,0|2,0,0]=4 8782 B11R0.93 CCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747405 [0,2,0,0,0,0|2,0,0]=4 8783 B11R0.93 CCC(=O)CC(=O)NCC(C)C 1458a_100000210414_100000183291 [0,2,0,0,0,0|2,0,0]=4 8784 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [0,2,0,0,0,0|1,0,0]=3 8785 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [0,2,0,0,0,0|1,0,0]=3 8786 B11R0.93 CCC(C)CC(=O)CCC(C)O 1458a_100000708755_100012276601 [0,2,0,0,0,0|2,0,0]=4 8787 B11R0.93 CCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748023 [0,2,0,0,0,0|2,0,0]=4 8788 B11R0.93 CCC(C)CC(=O)COC(C)C 1458a_100000745533_100000748023 [0,2,0,0,0,0|2,0,0]=4 8789 B11R0.93 CCC(C)CC(=O)CSC(C)C 1458a_100000241585_100000748023 [0,2,0,0,0,0|2,0,0]=4 8790 B11R0.93 CCC(C)CC(=O)NCC(C)C 11a_100000210953_100000708755 [0,2,0,0,0,0|2,0,0]=4 8791 B11R0.93 CCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000708755 [0,2,0,0,0,0|2,0,0]=4 8792 B11R0.93 CCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000708755 [0,2,0,0,0,0|2,0,0]=4 8793 B11R0.93 CCC(C)CC(=O)NCC(C)C 527a_100000210953_100000708755 [0,2,0,0,0,0|2,0,0]=4 8794 B11R0.93 CCC(C)NC(=O)CCC(C)C 11a_100000209981_100000181311 [0,2,0,0,0,0|1,0,0]=3 8795 B11R0.93 CCC(C)NC(=O)CCC(C)C 1626a_100000209981_100000181311 [0,2,0,0,0,0|1,0,0]=3 8796 B11R0.93 CCC(C)NC(=O)CCC(C)C 240690a_100000209981_100000181311 [0,2,0,0,0,0|1,0,0]=3 8797 B11R0.93 CCC(C)NC(=O)CCC(C)C 527a_100000209981_100000181311 [0,2,0,0,0,0|1,0,0]=3 8798 B11R0.93 CCC(C)NC(=O)CCC(C)O 1626a_100000209981_100000718519 [0,2,0,0,0,0|2,0,0]=4 8799 B11R0.93 CCC(C)NC(=O)CCN(C)C 11a_100000209981_100000689311 [0,2,0,0,0,0|2,0,0]=4 8800 B11R0.93 CCC(C)NC(=O)CCN(C)C 240690a_100000209981_100000689311 [0,2,0,0,0,0|2,0,0]=4 8801 B11R0.93 CCC(C)NC(=O)CCN(C)C 527a_100000209981_100000689311 [0,2,0,0,0,0|2,0,0]=4 8802 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 11a_100000209981_100009452791 [0,2,0,0,0,0|2,0,0]=4 8803 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 1626a_100000209981_100009452791 [0,2,0,0,0,0|2,0,0]=4 8804 B11R0.93 CCC(C)NC(=O)CC[S+](C)C 240690a_100000209981_100009452791 [0,2,0,0,0,0|2,0,0]=4 8805 B11R0.93 CCC(C)NC(=O)CNC(C)C 2230a_100138425928_100000182745 [0,2,0,0,0,0|2,0,0]=4 8806 B11R0.93 CCC(C)NC(=O)CNC(C)C 34a_100138425928_100000182745 [0,2,0,0,0,0|2,0,0]=4 8807 B11R0.93 CCC(C)NC(=O)COC(C)C 11a_100000209981_100000745533 [0,2,0,0,0,0|2,0,0]=4 8808 B11R0.93 CCC(C)NC(=O)COC(C)C 1626a_100000209981_100000745533 [0,2,0,0,0,0|2,0,0]=4 8809 B11R0.93 CCC(C)NC(=O)COC(C)C 240690a_100000209981_100000745533 [0,2,0,0,0,0|2,0,0]=4 8810 B11R0.93 CCC(C)NC(=O)COC(C)C 34a_100000212225_100000182745 [0,2,0,0,0,0|2,0,0]=4 8811 B11R0.93 CCC(C)NC(=O)COC(C)C 527a_100000209981_100000745533 [0,2,0,0,0,0|2,0,0]=4 8812 B11R0.93 CCC(C)NC(=O)CSC(C)C 11a_100000209981_100000241585 [0,2,0,0,0,0|2,0,0]=4 8813 B11R0.93 CCC(C)NC(=O)CSC(C)C 1626a_100000209981_100000241585 [0,2,0,0,0,0|2,0,0]=4 8814 B11R0.93 CCC(C)NC(=O)CSC(C)C 240690a_100000209981_100000241585 [0,2,0,0,0,0|2,0,0]=4 8815 B11R0.93 CCC(C)NC(=O)CSC(C)C 527a_100000209981_100000241585 [0,2,0,0,0,0|2,0,0]=4 8816 B11R0.93 CCC(C)NC(=O)CSC(C)C 62a_100000182745_100000210206 [0,2,0,0,0,0|2,0,0]=4 8817 B11R0.93 CCC(C)NC(=O)CSC(C)C 62a_100000210206_100000182745 [0,2,0,0,0,0|2,0,0]=4 8818 B11R0.93 CCC(C)NC(=O)NCC(C)C 2708a_100000209981_100000210953 [0,2,0,0,0,0|2,0,0]=4 8819 B11R0.93 CCC(C)NC(=O)NCC(C)C 2708a_100000210953_100000209981 [0,2,0,0,0,0|2,0,0]=4 8820 B11R0.93 CCC(C)NC(=O)NCC(C)C 273464a_100000209981_100000210953 [0,2,0,0,0,0|2,0,0]=4 8821 B11R0.93 CCC(C)NC(=O)NCC(C)C 273464a_100000210953_100000209981 [0,2,0,0,0,0|2,0,0]=4 8822 B11R0.93 CCC(C)NC(=O)NCC(C)C 512a_100000209981_100000210953 [0,2,0,0,0,0|2,0,0]=4 8823 B11R0.93 CCC(C)NC(=O)NCC(C)C 512a_100000210953_100000209981 [0,2,0,0,0,0|2,0,0]=4 8824 B11R0.93 CCC(C)OC(C)CCC(C)C 34a_100011215350_100011215416 [0,2,0,0,0,0|1,0,1]=4 8825 B11R0.93 CCC(C)OC(C)CCC(C)C 7a_100011215350_100000758301 [0,2,0,0,0,0|1,0,1]=4 8826 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [0,2,0,0,0,0|1,0,0]=3 8827 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [0,2,0,0,0,0|1,0,0]=3 8828 B11R0.93 CCC(O)CC(=O)CCC(C)O 1458a_100011667805_100012276601 [0,2,0,0,0,0|2,0,0]=4 8829 B11R0.93 CCC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218378 [0,2,0,0,0,0|2,0,0]=4 8830 B11R0.93 CCC(O)CC(=O)COC(C)C 1458a_100000745533_100011218378 [0,2,0,0,0,0|2,0,0]=4 8831 B11R0.93 CCC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218378 [0,2,0,0,0,0|2,0,0]=4 8832 B11R0.93 CCC(O)CC(=O)NCC(C)C 1626a_100000210953_100011667805 [0,2,0,0,0,0|2,0,0]=4 8833 B11R0.93 CCC(O)CC(=O)NCC(C)C 240690a_100000210953_100011667805 [0,2,0,0,0,0|2,0,0]=4 8834 B11R0.93 CCN(C)CC(=O)CCC(C)C 1458a_100116209913_100000210312 [0,2,0,0,0,0|1,0,0]=3 8835 B11R0.93 CCN(C)CC(=O)CCC(C)O 1458a_100116209913_100012276601 [0,2,0,0,0,0|2,0,0]=4 8836 B11R0.93 CCN(C)CC(=O)NCC(C)C 2230a_100000225621_100000183291 [0,2,0,0,0,0|2,0,0]=4 8837 B11R0.93 CCN(C)CC(=O)NCC(C)C 240690a_100000210953_100116209913 [0,2,0,0,0,0|2,0,0]=4 8838 B11R0.93 CCN(C)CC(=O)NCC(C)C 269982a_100000225621_100000183291 [0,2,0,0,0,0|2,0,0]=4 8839 B11R0.93 CCN(C)CC(=O)NCC(C)C 527a_100000210953_100116209913 [0,2,0,0,0,0|2,0,0]=4 8840 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [0,2,0,0,0,0|1,0,0]=3 8841 B11R0.93 CC[C@H](C)CC(=O)CC[S+](C)C 1458a_100009452791_100009816398 [0,2,0,0,0,0|2,0,0]=4 8842 B11R0.93 CC[C@H](C)CC(=O)COC(C)C 1458a_100000745533_100009816398 [0,2,0,0,0,0|2,0,0]=4 8843 B11R0.93 CC[C@H](C)CC(=O)CSC(C)C 1458a_100000241585_100009816398 [0,2,0,0,0,0|2,0,0]=4 8844 B11R0.93 CNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183359 [0,2,0,0,0,0|1,0,1]=4 8845 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747449 [0,2,0,0,0,0|1,0,1]=4 8846 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000211351_100000210312 [0,2,0,0,0,0|1,0,1]=4 8847 B11R0.93 C[C@@H](CO)CC(=O)CC[S+](C)C 1458a_100009452791_100000059175 [0,2,0,0,0,0|2,0,0]=4 8848 B11R0.93 C[C@H](CF)NC(=O)CCN(C)C 11a_100102880703_100000689311 [0,2,0,0,0,0|2,0,0]=4 8849 B11R0.93 C[C@H](CF)NC(=O)CCN(C)C 240690a_100102880703_100000689311 [0,2,0,0,0,0|2,0,0]=4 8850 B11R0.93 C[C@H](CF)NC(=O)CCN(C)C 527a_100102880703_100000689311 [0,2,0,0,0,0|2,0,0]=4 8851 B11R0.93 C[C@H](CF)NC(=O)CC[S+](C)C 11a_100102880703_100009452791 [0,2,0,0,0,0|2,0,0]=4 8852 B11R0.93 C[C@H](CF)NC(=O)CC[S+](C)C 1626a_100102880703_100009452791 [0,2,0,0,0,0|2,0,0]=4 8853 B11R0.93 C[C@H](CF)NC(=O)CC[S+](C)C 240690a_100102880703_100009452791 [0,2,0,0,0,0|2,0,0]=4 8854 B11R0.93 C[C@H](CO)NC(=O)CCN(C)C 240690a_100000737577_100000689311 [0,2,0,0,0,0|2,0,0]=4 8855 B11R0.93 C[C@H](CO)NC(=O)CCN(C)C 527a_100000737577_100000689311 [0,2,0,0,0,0|2,0,0]=4 8856 B11R0.93 C[C@H](CO)NC(=O)CC[S+](C)C 240690a_100000737577_100009452791 [0,2,0,0,0,0|2,0,0]=4 8857 B11R0.219 CC(C)CCC(C)(C)OCCBr 34a_100000211926_200000037585 [0,2,0,0,0,0|1,0,1]=4 8858 B11R0.219 CC(C)CCC(C)(C)OCCF 7a_200011218267_100011217306 [0,2,0,0,0,0|1,0,1]=4 8859 B11R0.219 CC(C)CCC(C)(C)OCCN 34a_100000210304_200000037585 [0,2,0,0,0,0|1,0,1]=4 8860 B11R0.219 CC(C)CCC(C)(C)OCCO 7a_200011218267_100000211926 [0,2,0,0,0,0|1,0,1]=4 8861 B11R0.219 CC(C)CCS(=O)(=O)NCCF 270084a_100000724931_100000750698 [0,2,0,0,0,0|2,0,0]=4 8862 B11R0.219 CC(C)CCS(=O)(=O)NCCF 274078a_100000724931_100000750698 [0,2,0,0,0,0|2,0,0]=4 8863 B11R0.219 CC(C)CCS(=O)(=O)NCCO 270084a_100000210304_100000750698 [0,2,0,0,0,0|2,0,0]=4 8864 B11R0.219 CC(C)CCS(=O)(=O)NCCO 274078a_100000210304_100000750698 [0,2,0,0,0,0|2,0,0]=4 8865 B11R0.219 CCCNS(=O)(=O)CCC(C)C 270084a_100020643023_100000750698 [0,2,0,0,0,0|2,0,0]=4 8866 B11R0.219 CCCNS(=O)(=O)CCC(C)C 274078a_100020643023_100000750698 [0,2,0,0,0,0|2,0,0]=4 8867 B11R0.219 CCCOC(C)(C)CCC(C)C 34a_100000210258_200000037585 [0,2,0,0,0,0|1,0,1]=4 8868 B11R0.219 CCCOC(C)(C)CCC(C)C 7a_200011218267_100000210303 [0,2,0,0,0,0|1,0,1]=4 8869 B11R0.34 CC(=O)CCC(=O)OC(C)(C)C 1458a_100000691576_200000210301 [0,2,0,0,0,0|1,0,1]=4 8870 B11R0.34 CC(C)(C)OC(=O)CCC(=O)[13CH3] 1458a_100000691576_200025704644 [0,2,0,0,0,0|1,0,1]=4 8871 B11R0.34 CC(C)CCC(=O)CC(C)(C)C 1458a_100000211214_100000210312 [0,2,0,0,0,0|1,0,0]=3 8872 B11R0.34 CC(C)CCC(=O)CC(C)(C)O 1458a_100000693243_100000210312 [0,2,0,0,0,0|1,0,0]=3 8873 B11R0.34 CC(C)CCC(=O)CC(F)(F)F 1458a_100000245130_100000210312 [0,2,0,0,0,0|2,0,0]=4 8874 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210312 [0,2,0,0,0,0|2,0,0]=4 8875 B11R0.34 CC(C)CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210312 [0,2,0,0,0,0|2,0,0]=4 8876 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100000181311_100000233785 [0,2,0,0,0,0|1,1,0]=4 8877 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210312 [0,2,0,0,0,0|1,1,0]=4 8878 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 11a_100000715429_100000181311 [0,2,0,0,0,0|1,0,0]=3 8879 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 1626a_100000715429_100000181311 [0,2,0,0,0,0|1,0,0]=3 8880 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 240690a_100000715429_100000181311 [0,2,0,0,0,0|1,0,0]=3 8881 B11R0.34 CC(C)CCC(=O)NC(C)(C)C 527a_100000715429_100000181311 [0,2,0,0,0,0|1,0,0]=3 8882 B11R0.34 CC(C)CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000181311 [0,2,0,0,0,0|2,0,0]=4 8883 B11R0.34 CC(C)CCC(C)OC(C)(C)C 34a_100011215350_100000210625 [0,2,0,0,0,0|1,0,1]=4 8884 B11R0.34 CC(C)CCC(C)OC(C)(C)C 34a_100015890283_100011261404 [0,2,0,0,0,0|1,0,1]=4 8885 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 11a_100000210953_100000211214 [0,2,0,0,0,0|2,0,0]=4 8886 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 1626a_100000210953_100000211214 [0,2,0,0,0,0|2,0,0]=4 8887 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 240690a_100000210953_100000211214 [0,2,0,0,0,0|2,0,0]=4 8888 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 527a_100000210953_100000211214 [0,2,0,0,0,0|2,0,0]=4 8889 B11R0.34 CC(C)CNC(=O)CC(C)(C)O 527a_100000210953_100000693243 [0,2,0,0,0,0|2,0,0]=4 8890 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 2708a_100000210953_100000715429 [0,2,0,0,0,0|2,0,0]=4 8891 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 273464a_100000210953_100000715429 [0,2,0,0,0,0|2,0,0]=4 8892 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 273464a_100000715429_100000210953 [0,2,0,0,0,0|2,0,0]=4 8893 B11R0.34 CC(C)CNC(=O)NC(C)(C)C 512a_100000715429_100000210953 [0,2,0,0,0,0|2,0,0]=4 8894 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 2230a_100000174917_100000210206 [0,2,0,0,0,0|2,0,0]=4 8895 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 2230a_100138425928_100000182746 [0,2,0,0,0,0|2,0,0]=4 8896 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 34a_100000174917_100000210206 [0,2,0,0,0,0|2,0,0]=4 8897 B11R0.34 CC(C)NCC(=O)NC(C)(C)C 34a_100138425928_100000182746 [0,2,0,0,0,0|2,0,0]=4 8898 B11R0.34 CC(C)NCC(=O)OC(C)(C)C 2230a_100138425928_100000183872 [0,2,0,0,0,0|1,0,0]=3 8899 B11R0.34 CC(C)NCC(=O)OC(C)(C)C 34a_100138425928_100000183872 [0,2,0,0,0,0|1,0,0]=3 8900 B11R0.34 CC(C)NCC(=O)O[Si](C)(C)C 2230a_100138425928_200009813336 [0,2,0,0,0,0|1,1,0]=4 8901 B11R0.34 CC(C)NCC(=O)O[Si](C)(C)C 34a_100138425928_200009813336 [0,2,0,0,0,0|1,1,0]=4 8902 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 11a_100000715429_100000745533 [0,2,0,0,0,0|2,0,0]=4 8903 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 1626a_100000715429_100000745533 [0,2,0,0,0,0|2,0,0]=4 8904 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 240690a_100000715429_100000745533 [0,2,0,0,0,0|2,0,0]=4 8905 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 34a_100000212225_100000182746 [0,2,0,0,0,0|2,0,0]=4 8906 B11R0.34 CC(C)OCC(=O)NC(C)(C)C 527a_100000715429_100000745533 [0,2,0,0,0,0|2,0,0]=4 8907 B11R0.34 CC(C)OCC(=O)OC(C)(C)C 34a_100000212225_100000183872 [0,2,0,0,0,0|1,0,0]=3 8908 B11R0.34 CC(C)OCC(=O)OC(C)(C)C 34a_100000752683_100000210206 [0,2,0,0,0,0|1,0,0]=3 8909 B11R0.34 CC(C)OCC(=O)O[Si](C)(C)C 34a_100000212225_200009813336 [0,2,0,0,0,0|1,1,0]=4 8910 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 11a_100000715429_100000241585 [0,2,0,0,0,0|2,0,0]=4 8911 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 1626a_100000715429_100000241585 [0,2,0,0,0,0|2,0,0]=4 8912 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 240690a_100000715429_100000241585 [0,2,0,0,0,0|2,0,0]=4 8913 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 527a_100000715429_100000241585 [0,2,0,0,0,0|2,0,0]=4 8914 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 62a_100000182746_100000210206 [0,2,0,0,0,0|2,0,0]=4 8915 B11R0.34 CC(C)SCC(=O)NC(C)(C)C 62a_100000210206_100000182746 [0,2,0,0,0,0|2,0,0]=4 8916 B11R0.34 CC(C)SCC(=O)OC(C)(C)C 62a_100000183872_100000210206 [0,2,0,0,0,0|1,0,0]=3 8917 B11R0.34 CC(C)SCC(=O)OC(C)(C)C 62a_100000210206_100000183872 [0,2,0,0,0,0|1,0,0]=3 8918 B11R0.34 CC(C)SCC(=O)O[Si](C)(C)C 62a_100000210206_200009813336 [0,2,0,0,0,0|1,1,0]=4 8919 B11R0.34 CC(C)SCC(=O)O[Si](C)(C)C 62a_200009813336_100000210206 [0,2,0,0,0,0|1,1,0]=4 8920 B11R0.34 CC(O)CCC(=O)CC(C)(C)C 1458a_100000211214_100012276601 [0,2,0,0,0,0|2,0,0]=4 8921 B11R0.34 CC(O)CCC(=O)CC(C)(C)O 1458a_100000693243_100012276601 [0,2,0,0,0,0|2,0,0]=4 8922 B11R0.34 CC(O)CCC(=O)NC(C)(C)C 1626a_100000715429_100000718519 [0,2,0,0,0,0|2,0,0]=4 8923 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 11a_100000715429_100000689311 [0,2,0,0,0,0|2,0,0]=4 8924 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 2230a_100102631434_100011194433 [0,2,0,0,0,0|2,0,0]=4 8925 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 240690a_100000715429_100000689311 [0,2,0,0,0,0|2,0,0]=4 8926 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 269982a_100102631434_100011194433 [0,2,0,0,0,0|2,0,0]=4 8927 B11R0.34 CN(C)CCC(=O)NC(C)(C)C 527a_100000715429_100000689311 [0,2,0,0,0,0|2,0,0]=4 8928 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 2230a_100000687418_200000210301 [0,2,0,0,0,0|1,0,0]=3 8929 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 2230a_100102631434_100009816755 [0,2,0,0,0,0|1,0,0]=3 8930 B11R0.34 CN(C)CCC(=O)OC(C)(C)C 269982a_100000687418_200000210301 [0,2,0,0,0,0|1,0,0]=3 8931 B11R0.34 CN([13CH3])CCC(=O)OC(C)(C)C 2230a_100000687418_200025704644 [0,2,0,0,0,0|1,0,0]=3 8932 B11R0.34 CN([13CH3])CCC(=O)OC(C)(C)C 269982a_100000687418_200025704644 [0,2,0,0,0,0|1,0,0]=3 8933 B11R0.34 C[S+](C)CCC(=O)NC(C)(C)C 11a_100000715429_100009452791 [0,2,0,0,0,0|2,0,0]=4 8934 B11R0.34 C[S+](C)CCC(=O)NC(C)(C)C 1626a_100000715429_100009452791 [0,2,0,0,0,0|2,0,0]=4 8935 B11R0.34 C[S+](C)CCC(=O)NC(C)(C)C 240690a_100000715429_100009452791 [0,2,0,0,0,0|2,0,0]=4 8936 B11R0.107 C#CC(C)NCC(=O)OC(C)C 2230a_100000707721_100011215430 [0,2,0,0,0,0|1,0,1]=4 8937 B11R0.107 C#CC(C)NCC(=O)OC(C)C 34a_100000707721_100011215430 [0,2,0,0,0,0|1,0,1]=4 8938 B11R0.107 C#CC(C)SCC(=O)OC(C)C 62a_200000035995_100011215430 [0,2,0,0,0,0|1,0,1]=4 8939 B11R0.107 C#C[C@@H](C)OCC(=O)OC(C)C 34a_100009815206_100011215430 [0,2,0,0,0,0|1,0,1]=4 8940 B11R0.107 C#C[C@@H](C)OCC(=O)OC(C)C 7a_100009815206_100011215430 [0,2,0,0,0,0|1,0,1]=4 8941 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,2,0,0,0,0|1,0,1]=4 8942 B11R0.107 C=CC(C)OCC(=O)OC(C)C 34a_100000695699_100011215430 [0,2,0,0,0,0|1,0,1]=4 8943 B11R0.107 C=CC(C)SCC(=O)OC(C)C 62a_100011215867_100011215430 [0,2,0,0,0,0|1,0,1]=4 8944 B11R0.107 CC(C#N)NCC(=O)OC(C)C 2230a_100000737613_100011215430 [0,2,0,0,0,0|1,0,1]=4 8945 B11R0.107 CC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000210554 [0,2,0,0,0,0|2,0,0]=4 8946 B11R0.107 CC(C)CC(=O)NCC(C)CO 527a_100000744482_100000210554 [0,2,0,0,0,0|2,0,0]=4 8947 B11R0.107 CC(C)NC(=O)CNC(C)CO 2230a_100000168517_100012180447 [0,2,0,0,0,0|2,0,0]=4 8948 B11R0.107 CC(C)NC(=O)CN[C@H](C)CO 2230a_100000737577_100000183996 [0,2,0,0,0,0|2,0,0]=4 8949 B11R0.107 CC(C)NC(=O)COC(C)CF 34a_100016041109_100000183996 [0,2,0,0,0,0|2,0,0]=4 8950 B11R0.107 CC(C)NC(=O)COC(C)CF 7a_100016041109_100000183996 [0,2,0,0,0,0|2,0,0]=4 8951 B11R0.107 CC(C)NC(=O)COC(C)CN 34a_100000210904_100000183996 [0,2,0,0,0,0|2,0,0]=4 8952 B11R0.107 CC(C)NC(=O)CSC(C)CO 62a_100012180447_100000183996 [0,2,0,0,0,0|2,0,0]=4 8953 B11R0.107 CC(C)NC(=O)CS[C@H](C)CO 62a_100000183996_100016084084 [0,2,0,0,0,0|2,0,0]=4 8954 B11R0.107 CC(C)NC(=O)CS[C@H](C)CO 62a_100016084084_100000183996 [0,2,0,0,0,0|2,0,0]=4 8955 B11R0.107 CC(C)OC(=O)CCC(=O)CO 1458a_100000210174_100000760027 [0,2,0,0,0,0|1,0,1]=4 8956 B11R0.107 CC(C)OC(=O)CN[C@H](C)CO 2230a_100000737577_100011215430 [0,2,0,0,0,0|1,0,0]=3 8957 B11R0.107 CC(C)OC(=O)COC(C)C#N 34a_100011218135_100011215430 [0,2,0,0,0,0|1,0,1]=4 8958 B11R0.107 CC(C)OC(=O)COC(C)CF 34a_100016041109_100011215430 [0,2,0,0,0,0|1,0,0]=3 8959 B11R0.107 CC(C)OC(=O)COC(C)CF 7a_100016041109_100011215430 [0,2,0,0,0,0|1,0,0]=3 8960 B11R0.107 CC(C)OC(=O)COC(C)CN 34a_100000210904_100011215430 [0,2,0,0,0,0|1,0,0]=3 8961 B11R0.107 CC(C)OC(=O)CSC(C)C#N 62a_100000703298_100011215430 [0,2,0,0,0,0|1,0,1]=4 8962 B11R0.107 CC(C)OC(=O)CSC(C)C#N 62a_100011215430_100000703298 [0,2,0,0,0,0|1,0,1]=4 8963 B11R0.107 CC(C)OC(=O)CSC(C)CO 62a_100012180447_100011215430 [0,2,0,0,0,0|1,0,0]=3 8964 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100011215430_100016084084 [0,2,0,0,0,0|1,0,0]=3 8965 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100016084084_100011215430 [0,2,0,0,0,0|1,0,0]=3 8966 B11R0.107 CC(CO)CNC(=O)C[C@@H](C)O 240690a_100000744482_100011933948 [0,2,0,0,0,0|2,0,0]=4 8967 B11R0.107 CC(CO)CNC(=O)NC(C)C 2708a_100138425928_100000744482 [0,2,0,0,0,0|2,0,0]=4 8968 B11R0.107 CC(CO)CNC(=O)NC(C)C 273464a_100138425928_100000744482 [0,2,0,0,0,0|2,0,0]=4 8969 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100000744482_100138425928 [0,2,0,0,0,0|2,0,0]=4 8970 B11R0.107 CC(CO)CNC(=O)NC(C)C 512a_100138425928_100000744482 [0,2,0,0,0,0|2,0,0]=4 8971 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,2,0,0,0,0|1,0,1]=4 8972 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,2,0,0,0,0|1,0,0]=3 8973 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,2,0,0,0,0|1,0,0]=3 8974 B11R0.107 CCC(C)CCC(=O)CC(F)F 1458a_100000701222_100011934356 [0,2,0,0,0,0|2,0,0]=4 8975 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 8976 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 8977 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 8978 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 8979 B11R0.107 CCC(C)CCC(C)OC(C)C 7a_200011216552_100000210206 [0,2,0,0,0,0|1,0,1]=4 8980 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 8981 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 8982 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 8983 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 8984 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,2,0,0,0,0|2,0,0]=4 8985 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100020588543_100138425928 [0,2,0,0,0,0|2,0,0]=4 8986 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100138425928_100020588543 [0,2,0,0,0,0|2,0,0]=4 8987 B11R0.107 CCC(C)CNC(=O)NC(C)C 273464a_100138425928_100020588543 [0,2,0,0,0,0|2,0,0]=4 8988 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100020588543_100138425928 [0,2,0,0,0,0|2,0,0]=4 8989 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100138425928_100020588543 [0,2,0,0,0,0|2,0,0]=4 8990 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000758301 [0,2,0,0,0,0|2,0,0]=4 8991 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000209981_100000183996 [0,2,0,0,0,0|2,0,0]=4 8992 B11R0.107 CCC(C)NCC(=O)OC(C)C 2230a_100000209981_100011215430 [0,2,0,0,0,0|1,0,0]=3 8993 B11R0.107 CCC(C)OCC(=O)NC(C)C 7a_100000210228_100000183996 [0,2,0,0,0,0|2,0,0]=4 8994 B11R0.107 CCC(C)OCC(=O)OC(C)C 7a_100000210228_100011215430 [0,2,0,0,0,0|1,0,0]=3 8995 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000183996_100000758301 [0,2,0,0,0,0|2,0,0]=4 8996 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000758301_100000183996 [0,2,0,0,0,0|2,0,0]=4 8997 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100000758301_100011215430 [0,2,0,0,0,0|1,0,0]=3 8998 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100011215430_100000758301 [0,2,0,0,0,0|1,0,0]=3 8999 B11R0.107 CCC(O)CCC(=O)NC(C)C 1626a_100138425928_203496584001 [0,2,0,0,0,0|2,0,0]=4 9000 B11R0.107 CCC(O)CCC(=O)NC(C)C 240690a_100138425928_203496584001 [0,2,0,0,0,0|2,0,0]=4 9001 B11R0.107 CCN(C)CCC(=O)CC(C)C 1458a_100000755305_100000210624 [0,2,0,0,0,0|2,0,0]=4 9002 B11R0.107 CCN(C)CCC(=O)CC(C)O 1458a_100000755305_100011218427 [0,2,0,0,0,0|2,0,0]=4 9003 B11R0.107 CCN(C)CCC(=O)NC(C)C 2230a_100000225621_100000737564 [0,2,0,0,0,0|2,0,0]=4 9004 B11R0.107 CCN(C)CCC(=O)NC(C)C 240690a_100138425928_100000755305 [0,2,0,0,0,0|2,0,0]=4 9005 B11R0.107 CCN(C)CCC(=O)NC(C)C 269982a_100000225621_100000737564 [0,2,0,0,0,0|2,0,0]=4 9006 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [0,2,0,0,0,0|1,0,0]=3 9007 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [0,2,0,0,0,0|1,0,0]=3 9008 B11R0.107 CCN(C)COC(=O)OC(C)C 269982a_100000225621_100010125566 [0,2,0,0,0,0|2,0,0]=4 9009 B11R0.107 COC(C)SCC(=O)NC(C)C 62a_100000183996_100009879195 [0,2,0,0,0,0|2,0,0]=4 9010 B11R0.107 COC(C)SCC(=O)NC(C)C 62a_100009879195_100000183996 [0,2,0,0,0,0|2,0,0]=4 9011 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100009879195_100011215430 [0,2,0,0,0,0|1,0,0]=3 9012 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100011215430_100009879195 [0,2,0,0,0,0|1,0,0]=3 9013 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 11a_100020591295_100000210554 [0,2,0,0,0,0|2,0,0]=4 9014 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 1626a_100020591295_100000210554 [0,2,0,0,0,0|2,0,0]=4 9015 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 240690a_100020591295_100000210554 [0,2,0,0,0,0|2,0,0]=4 9016 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 527a_100020591295_100000210554 [0,2,0,0,0,0|2,0,0]=4 9017 B11R0.107 CO[C@H](C)CNC(=O)C[C@@H](C)O 240690a_100020591295_100011933948 [0,2,0,0,0,0|2,0,0]=4 9018 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100020591295_100138425928 [0,2,0,0,0,0|2,0,0]=4 9019 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 2708a_100138425928_100020591295 [0,2,0,0,0,0|2,0,0]=4 9020 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 273464a_100138425928_100020591295 [0,2,0,0,0,0|2,0,0]=4 9021 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100020591295_100138425928 [0,2,0,0,0,0|2,0,0]=4 9022 B11R0.107 CO[C@H](C)CNC(=O)NC(C)C 512a_100138425928_100020591295 [0,2,0,0,0,0|2,0,0]=4 9023 B11R0.232 CC(C)CCC(C)(C)OC(C)C 34a_100000212225_200000037585 [0,2,0,0,0,0|1,0,1]=4 9024 B11R0.232 CC(C)CCC(C)(C)OC(C)C 7a_200011218267_100000210206 [0,2,0,0,0,0|1,0,1]=4 9025 B11R0.232 CC(C)CCS(=O)(=O)NC(C)C 270084a_100138425928_100000750698 [0,2,0,0,0,0|2,0,0]=4 9026 B11R0.232 CC(C)CCS(=O)(=O)NC(C)C 274078a_100138425928_100000750698 [0,2,0,0,0,0|2,0,0]=4 9027 B11R0.337 C=C(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000748629 [0,2,0,0,0,0|1,0,1]=4 9028 B11R0.337 CC(=CC(=O)CCC(C)(C)C)C 1458a_100000211388_100000755188 [0,2,0,0,0,0|1,0,1]=4 9029 B11R0.337 CC(=CC(=O)CCC(C)(C)C)Cl 1458a_200042562850_100000755188 [0,2,0,0,0,0|1,0,1]=4 9030 B11R0.337 CC(=CC(=O)CCC(C)(C)C)I 1458a_100025716642_100000755188 [0,2,0,0,0,0|1,0,1]=4 9031 B11R0.337 CC(C)(C)CCC(=O)CC(F)F 1458a_100000757465_100011934356 [0,2,0,0,0,0|2,0,0]=4 9032 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000210554_100000755188 [0,2,0,0,0,0|1,0,0]=3 9033 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000210624 [0,2,0,0,0,0|1,0,0]=3 9034 B11R0.337 CC(C)CC(=O)CCC(C)(F)F 1458a_100000030992_100000210624 [0,2,0,0,0,0|2,0,0]=4 9035 B11R0.337 CC(C)CC(=O)CC[N+](C)(C)C 1458a_100000210554_100000085578 [0,2,0,0,0,0|2,0,0]=4 9036 B11R0.337 CC(C)CC(=O)CC[Si](C)(C)C 1458a_100000210554_200000733723 [0,2,0,0,0,0|1,1,0]=4 9037 B11R0.337 CC(C)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210624 [0,2,0,0,0,0|1,1,0]=4 9038 B11R0.337 CC(C)CC(=O)COC(C)(C)C 1458a_100000686494_100000210624 [0,2,0,0,0,0|2,0,0]=4 9039 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 11a_100000743828_100000210554 [0,2,0,0,0,0|2,0,0]=4 9040 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 1626a_100000743828_100000210554 [0,2,0,0,0,0|2,0,0]=4 9041 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 240690a_100000743828_100000210554 [0,2,0,0,0,0|2,0,0]=4 9042 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 527a_100000743828_100000210554 [0,2,0,0,0,0|2,0,0]=4 9043 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 11a_100020643315_100000210554 [0,2,0,0,0,0|2,0,0]=4 9044 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 1626a_100020643315_100000210554 [0,2,0,0,0,0|2,0,0]=4 9045 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 240690a_100020643315_100000210554 [0,2,0,0,0,0|2,0,0]=4 9046 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 527a_100020643315_100000210554 [0,2,0,0,0,0|2,0,0]=4 9047 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 1626a_100000751335_100000210554 [0,2,0,0,0,0|2,0,0]=4 9048 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 240690a_100000751335_100000210554 [0,2,0,0,0,0|2,0,0]=4 9049 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 527a_100000751335_100000210554 [0,2,0,0,0,0|2,0,0]=4 9050 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 11a_100138425928_100000757465 [0,2,0,0,0,0|1,0,0]=3 9051 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 1626a_100138425928_100000757465 [0,2,0,0,0,0|1,0,0]=3 9052 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 240690a_100138425928_100000757465 [0,2,0,0,0,0|1,0,0]=3 9053 B11R0.337 CC(C)NC(=O)CCC(C)(C)C 527a_100138425928_100000757465 [0,2,0,0,0,0|1,0,0]=3 9054 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 11a_100138425928_100000030992 [0,2,0,0,0,0|2,0,0]=4 9055 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 1626a_100138425928_100000030992 [0,2,0,0,0,0|2,0,0]=4 9056 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 240690a_100138425928_100000030992 [0,2,0,0,0,0|2,0,0]=4 9057 B11R0.337 CC(C)NC(=O)CCC(C)(F)F 527a_100138425928_100000030992 [0,2,0,0,0,0|2,0,0]=4 9058 B11R0.337 CC(C)NC(=O)CC[Si](C)(C)C 1626a_100138425928_100011215282 [0,2,0,0,0,0|1,1,0]=4 9059 B11R0.337 CC(C)NC(=O)CC[Si](C)(C)C 240690a_100138425928_100011215282 [0,2,0,0,0,0|1,1,0]=4 9060 B11R0.337 CC(C)NC(=O)CC[Si](C)(C)C 527a_100138425928_100011215282 [0,2,0,0,0,0|1,1,0]=4 9061 B11R0.337 CC(C)NC(=O)CNC(C)(C)C 2230a_100000715429_100000183996 [0,2,0,0,0,0|2,0,0]=4 9062 B11R0.337 CC(C)NC(=O)COC(C)(C)C 11a_100138425928_100000686494 [0,2,0,0,0,0|2,0,0]=4 9063 B11R0.337 CC(C)NC(=O)COC(C)(C)C 1626a_100138425928_100000686494 [0,2,0,0,0,0|2,0,0]=4 9064 B11R0.337 CC(C)NC(=O)COC(C)(C)C 240690a_100138425928_100000686494 [0,2,0,0,0,0|2,0,0]=4 9065 B11R0.337 CC(C)NC(=O)COC(C)(C)C 34a_100015890283_100000183996 [0,2,0,0,0,0|2,0,0]=4 9066 B11R0.337 CC(C)NC(=O)COC(C)(C)C 527a_100138425928_100000686494 [0,2,0,0,0,0|2,0,0]=4 9067 B11R0.337 CC(C)NC(=O)COC(C)(C)C 7a_100015890283_100000183996 [0,2,0,0,0,0|2,0,0]=4 9068 B11R0.337 CC(C)NC(=O)CSC(C)(C)C 62a_100000183996_100000211941 [0,2,0,0,0,0|2,0,0]=4 9069 B11R0.337 CC(C)NC(=O)CSC(C)(C)C 62a_100000211941_100000183996 [0,2,0,0,0,0|2,0,0]=4 9070 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 2708a_100000743828_100138425928 [0,2,0,0,0,0|2,0,0]=4 9071 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 2708a_100138425928_100000743828 [0,2,0,0,0,0|2,0,0]=4 9072 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 273464a_100138425928_100000743828 [0,2,0,0,0,0|2,0,0]=4 9073 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 512a_100000743828_100138425928 [0,2,0,0,0,0|2,0,0]=4 9074 B11R0.337 CC(C)NC(=O)NCC(C)(C)C 512a_100138425928_100000743828 [0,2,0,0,0,0|2,0,0]=4 9075 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 2708a_100020643315_100138425928 [0,2,0,0,0,0|2,0,0]=4 9076 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 2708a_100138425928_100020643315 [0,2,0,0,0,0|2,0,0]=4 9077 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 273464a_100138425928_100020643315 [0,2,0,0,0,0|2,0,0]=4 9078 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 512a_100020643315_100138425928 [0,2,0,0,0,0|2,0,0]=4 9079 B11R0.337 CC(C)NC(=O)NCC(C)(C)F 512a_100138425928_100020643315 [0,2,0,0,0,0|2,0,0]=4 9080 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 2708a_100138425928_100000751335 [0,2,0,0,0,0|2,0,0]=4 9081 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 273464a_100138425928_100000751335 [0,2,0,0,0,0|2,0,0]=4 9082 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 512a_100000751335_100138425928 [0,2,0,0,0,0|2,0,0]=4 9083 B11R0.337 CC(C)NC(=O)NCC(C)(C)O 512a_100138425928_100000751335 [0,2,0,0,0,0|2,0,0]=4 9084 B11R0.337 CC(C)OC(=O)CNC(C)(C)C 2230a_100000715429_100011215430 [0,2,0,0,0,0|1,0,0]=3 9085 B11R0.337 CC(C)OC(=O)COC(C)(C)C 34a_100015890283_100011215430 [0,2,0,0,0,0|1,0,0]=3 9086 B11R0.337 CC(C)OC(=O)COC(C)(C)C 7a_100015890283_100011215430 [0,2,0,0,0,0|1,0,0]=3 9087 B11R0.337 CC(C)OC(=O)CSC(C)(C)C 62a_100000211941_100011215430 [0,2,0,0,0,0|1,0,0]=3 9088 B11R0.337 CC(C)OC(=O)CSC(C)(C)C 62a_100011215430_100000211941 [0,2,0,0,0,0|1,0,0]=3 9089 B11R0.337 CC(O)CC(=O)CCC(C)(C)C 1458a_100000757465_100011218427 [0,2,0,0,0,0|1,0,0]=3 9090 B11R0.337 CC(O)CC(=O)CCC(C)(F)F 1458a_100000030992_100011218427 [0,2,0,0,0,0|2,0,0]=4 9091 B11R0.337 CC(O)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100011218427 [0,2,0,0,0,0|1,1,0]=4 9092 B11R0.337 CC(O)CC(=O)COC(C)(C)C 1458a_100000686494_100011218427 [0,2,0,0,0,0|2,0,0]=4 9093 B11R0.337 CN(C)CC(=O)CCC(C)(C)C 1458a_100000750896_100000755188 [0,2,0,0,0,0|2,0,0]=4 9094 B11R0.337 C[C@@H](O)CC(=O)CCC(C)(C)C 1458a_100011933948_100000755188 [0,2,0,0,0,0|1,0,0]=3 9095 B11R0.337 C[C@@H](O)CC(=O)CC[N+](C)(C)C 1458a_100011933948_100000085578 [0,2,0,0,0,0|2,0,0]=4 9096 B11R0.337 C[C@@H](O)CC(=O)CC[Si](C)(C)C 1458a_100011933948_200000733723 [0,2,0,0,0,0|1,1,0]=4 9097 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)C 240690a_100000743828_100011933948 [0,2,0,0,0,0|2,0,0]=4 9098 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)F 240690a_100020643315_100011933948 [0,2,0,0,0,0|2,0,0]=4 9099 B11R0.337 C[C@@H](O)CC(=O)NCC(C)(C)O 240690a_100000751335_100011933948 [0,2,0,0,0,0|2,0,0]=4 9100 B11R0.337 C[S+](C)CC(=O)CCC(C)(C)C 1458a_200159257847_100000755188 [0,2,0,0,0,0|2,0,0]=4 9101 B11R0.9 C#CC(CC)OCC(=O)OCC 34a_100000758843_100000188475 [0,2,0,0,0,0|1,0,1]=4 9102 B11R0.9 C#CC(CC)OCC(=O)OCC 7a_100000758843_100000188475 [0,2,0,0,0,0|1,0,1]=4 9103 B11R0.9 C=CC(CC)OCC(=O)OCC 34a_100000766422_100000188475 [0,2,0,0,0,0|1,0,1]=4 9104 B11R0.9 C=CC(CC)OCC(=O)OCC 7a_100000766422_100000188475 [0,2,0,0,0,0|1,0,1]=4 9105 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 2230a_100016989147_100000188475 [0,2,0,0,0,0|1,0,1]=4 9106 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 34a_100016989147_100000188475 [0,2,0,0,0,0|1,0,1]=4 9107 B11R0.9 CC#CC(=O)CCC(OC)OC 1458a_100000763181_100000139399 [0,2,0,0,0,0|1,0,1]=4 9108 B11R0.9 CC=CC(=O)CCC(OC)OC 1458a_100000210699_100000139399 [0,2,0,0,0,0|1,0,1]=4 9109 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_100000211992_100000139399 [0,2,0,0,0,0|1,0,0]=3 9110 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_200000082759_100000210303 [0,2,0,0,0,0|1,0,0]=3 9111 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000211992_100000700428 [0,2,0,0,0,0|2,0,0]=4 9112 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000750416_100000210303 [0,2,0,0,0,0|2,0,0]=4 9113 B11R0.9 CCCC(=O)CNC(CC)CC 2230a_100000199018_100000747444 [0,2,0,0,0,0|2,0,0]=4 9114 B11R0.9 CCCC(=O)CNC(CO)CO 2230a_100000759517_100000747444 [0,2,0,0,0,0|2,0,0]=4 9115 B11R0.9 CCCC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000747444 [0,2,0,0,0,0|2,0,0]=4 9116 B11R0.9 CCCC(=O)COC(CC)CC 1458a_100012002705_100000210303 [0,2,0,0,0,0|2,0,0]=4 9117 B11R0.9 CCCC(=O)COC(CC)CC 7a_100000688536_100000747444 [0,2,0,0,0,0|2,0,0]=4 9118 B11R0.9 CCCC(=O)COC(CCl)CCl 7a_100000737055_100000747444 [0,2,0,0,0,0|2,0,0]=4 9119 B11R0.9 CCCC(=O)COC(CF)CF 7a_100000032261_100000747444 [0,2,0,0,0,0|2,0,0]=4 9120 B11R0.9 CCCC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000747444 [0,2,0,0,0,0|2,0,0]=4 9121 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000210505_100000747444 [0,2,0,0,0,0|2,0,0]=4 9122 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000747444_100000210505 [0,2,0,0,0,0|2,0,0]=4 9123 B11R0.9 CCCC(=O)NCC(CC)CC 11a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 9124 B11R0.9 CCCC(=O)NCC(CC)CC 1626a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 9125 B11R0.9 CCCC(=O)NCC(CC)CC 240690a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 9126 B11R0.9 CCCC(=O)NCC(CC)CC 527a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 9127 B11R0.9 CCCC(=O)NCC(CC)OC 11a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 9128 B11R0.9 CCCC(=O)NCC(CC)OC 1626a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 9129 B11R0.9 CCCC(=O)NCC(CC)OC 240690a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 9130 B11R0.9 CCCC(=O)NCC(CC)OC 527a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 9131 B11R0.9 CCCC(=O)NCC(OC)OC 11a_100000210479_100000211992 [0,2,0,0,0,0|2,0,0]=4 9132 B11R0.9 CCCC(=O)NCC(OC)OC 1626a_100000210479_100000211992 [0,2,0,0,0,0|2,0,0]=4 9133 B11R0.9 CCCC(=O)NCC(OC)OC 240690a_100000210479_100000211992 [0,2,0,0,0,0|2,0,0]=4 9134 B11R0.9 CCCC(=O)NCC(OC)OC 527a_100000210479_100000211992 [0,2,0,0,0,0|2,0,0]=4 9135 B11R0.9 CCNC(=O)CCC(OC)OC 11a_100015525214_200000082759 [0,2,0,0,0,0|1,0,0]=3 9136 B11R0.9 CCNC(=O)CCC(OC)OC 240690a_100015525214_200000082759 [0,2,0,0,0,0|1,0,0]=3 9137 B11R0.9 CCNC(=O)CCC(OC)OC 527a_100015525214_200000082759 [0,2,0,0,0,0|1,0,0]=3 9138 B11R0.9 CCNC(=O)CCN(CC)CC 11a_100015525214_100000750416 [0,2,0,0,0,0|2,0,0]=4 9139 B11R0.9 CCNC(=O)CCN(CC)CC 2230a_100000724800_100000737597 [0,2,0,0,0,0|2,0,0]=4 9140 B11R0.9 CCNC(=O)CCN(CC)CC 240690a_100015525214_100000750416 [0,2,0,0,0,0|2,0,0]=4 9141 B11R0.9 CCNC(=O)CCN(CC)CC 269956a_100000042499_100000737597 [0,2,0,0,0,0|2,0,0]=4 9142 B11R0.9 CCNC(=O)CCN(CC)CC 269982a_100000724800_100000737597 [0,2,0,0,0,0|2,0,0]=4 9143 B11R0.9 CCNC(=O)CNC(CC)CC 2230a_100000199018_100000183381 [0,2,0,0,0,0|2,0,0]=4 9144 B11R0.9 CCNC(=O)CNC(CC)CC 270004a_100016988866_100000210860 [0,2,0,0,0,0|2,0,0]=4 9145 B11R0.9 CCNC(=O)CNC(CO)CO 2230a_100000759517_100000183381 [0,2,0,0,0,0|2,0,0]=4 9146 B11R0.9 CCNC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000183381 [0,2,0,0,0,0|2,0,0]=4 9147 B11R0.9 CCNC(=O)COC(CC)CC 11a_100015525214_100012002705 [0,2,0,0,0,0|2,0,0]=4 9148 B11R0.9 CCNC(=O)COC(CC)CC 240690a_100015525214_100012002705 [0,2,0,0,0,0|2,0,0]=4 9149 B11R0.9 CCNC(=O)COC(CC)CC 527a_100015525214_100012002705 [0,2,0,0,0,0|2,0,0]=4 9150 B11R0.9 CCNC(=O)COC(CC)CC 7a_100000688536_100000183381 [0,2,0,0,0,0|2,0,0]=4 9151 B11R0.9 CCNC(=O)COC(CCl)CCl 7a_100000737055_100000183381 [0,2,0,0,0,0|2,0,0]=4 9152 B11R0.9 CCNC(=O)COC(CF)CF 34a_100000032261_100000183381 [0,2,0,0,0,0|2,0,0]=4 9153 B11R0.9 CCNC(=O)COC(CF)CF 7a_100000032261_100000183381 [0,2,0,0,0,0|2,0,0]=4 9154 B11R0.9 CCNC(=O)COC(CN)CN 34a_100000031598_100000183381 [0,2,0,0,0,0|2,0,0]=4 9155 B11R0.9 CCNC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000183381 [0,2,0,0,0,0|2,0,0]=4 9156 B11R0.9 CCNC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000183381 [0,2,0,0,0,0|2,0,0]=4 9157 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000183381_100000210505 [0,2,0,0,0,0|2,0,0]=4 9158 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000210505_100000183381 [0,2,0,0,0,0|2,0,0]=4 9159 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100015525214_100102946423 [0,2,0,0,0,0|2,0,0]=4 9160 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100102946423_100015525214 [0,2,0,0,0,0|2,0,0]=4 9161 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100015525214_100102946423 [0,2,0,0,0,0|2,0,0]=4 9162 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100102946423_100015525214 [0,2,0,0,0,0|2,0,0]=4 9163 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100015525214_100102946423 [0,2,0,0,0,0|2,0,0]=4 9164 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100102946423_100015525214 [0,2,0,0,0,0|2,0,0]=4 9165 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100000731041_100015525214 [0,2,0,0,0,0|2,0,0]=4 9166 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100015525214_100000731041 [0,2,0,0,0,0|2,0,0]=4 9167 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100000731041_100015525214 [0,2,0,0,0,0|2,0,0]=4 9168 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100015525214_100000731041 [0,2,0,0,0,0|2,0,0]=4 9169 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100000731041_100015525214 [0,2,0,0,0,0|2,0,0]=4 9170 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100015525214_100000731041 [0,2,0,0,0,0|2,0,0]=4 9171 B11R0.9 CCNC(=O)NCC(OC)OC 2708a_100000210479_100015525214 [0,2,0,0,0,0|2,0,0]=4 9172 B11R0.9 CCNC(=O)NCC(OC)OC 273464a_100000210479_100015525214 [0,2,0,0,0,0|2,0,0]=4 9173 B11R0.9 CCNC(=O)NCC(OC)OC 273464a_100015525214_100000210479 [0,2,0,0,0,0|2,0,0]=4 9174 B11R0.9 CCNC(=O)NCC(OC)OC 512a_100000210479_100015525214 [0,2,0,0,0,0|2,0,0]=4 9175 B11R0.9 CCNC(=O)NCC(OC)OC 512a_100015525214_100000210479 [0,2,0,0,0,0|2,0,0]=4 9176 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_100000724800_100011206558 [0,2,0,0,0,0|1,0,0]=3 9177 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_200011277716_100000210202 [0,2,0,0,0,0|1,0,0]=3 9178 B11R0.9 CCOC(=O)CCN(CC)CC 269956a_100000042499_100000765890 [0,2,0,0,0,0|1,0,0]=3 9179 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_100000724800_100011206558 [0,2,0,0,0,0|1,0,0]=3 9180 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_200011277716_100000204670 [0,2,0,0,0,0|1,0,0]=3 9181 B11R0.9 CCOC(=O)CCN(CC)CF 269982a_200011277716_100015361967 [0,2,0,0,0,0|1,0,0]=3 9182 B11R0.9 CCOC(=O)CNC(CC)CC 2230a_100000199018_100000188475 [0,2,0,0,0,0|1,0,0]=3 9183 B11R0.9 CCOC(=O)CNC(CO)CO 2230a_100000759517_100000188475 [0,2,0,0,0,0|1,0,0]=3 9184 B11R0.9 CCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000188475 [0,2,0,0,0,0|1,0,0]=3 9185 B11R0.9 CCOC(=O)COC(CC)CC 7a_100000688536_100000188475 [0,2,0,0,0,0|1,0,0]=3 9186 B11R0.9 CCOC(=O)COC(CCl)CCl 7a_100000737055_100000188475 [0,2,0,0,0,0|1,0,0]=3 9187 B11R0.9 CCOC(=O)COC(CF)CF 34a_100000032261_100000188475 [0,2,0,0,0,0|1,0,0]=3 9188 B11R0.9 CCOC(=O)COC(CF)CF 7a_100000032261_100000188475 [0,2,0,0,0,0|1,0,0]=3 9189 B11R0.9 CCOC(=O)COC(CN)CN 34a_100000031598_100000188475 [0,2,0,0,0,0|1,0,0]=3 9190 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000188475 [0,2,0,0,0,0|1,0,0]=3 9191 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000188475 [0,2,0,0,0,0|1,0,0]=3 9192 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000188475_100000210505 [0,2,0,0,0,0|1,0,0]=3 9193 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000210505_100000188475 [0,2,0,0,0,0|1,0,0]=3 9194 B11R0.9 CNNC(=O)CCC(OC)OC 22a_100016993582_200000082759 [0,2,0,0,0,0|2,0,0]=4 9195 B11R0.9 COC(CCC(=O)CCF)OC 1458a_200000082759_100011217306 [0,2,0,0,0,0|2,0,0]=4 9196 B11R0.9 COC(CCC(=O)CCO)OC 1458a_100011216618_100000139399 [0,2,0,0,0,0|2,0,0]=4 9197 B11R0.9 COC(CCC(=O)CCO)OC 1458a_200000082759_100000211926 [0,2,0,0,0,0|2,0,0]=4 9198 B11R0.9 COC(CCC(=O)CSC)OC 1458a_100000184570_100000139399 [0,2,0,0,0,0|2,0,0]=4 9199 B11R0.9 COCC(=O)CCC(OC)OC 1458a_100000210968_100000139399 [0,2,0,0,0,0|2,0,0]=4 9200 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,2,0,0,0,0|1,0,1]=4 9201 B11R0.62 C#CCC(C)OCC(=O)CCC 7a_100000685586_100000747444 [0,2,0,0,0,0|2,0,0]=4 9202 B11R0.62 C#CCC(C)OCC(=O)NCC 34a_100000685586_100000183381 [0,2,0,0,0,0|2,0,0]=4 9203 B11R0.62 C#CCC(C)OCC(=O)NCC 7a_100000685586_100000183381 [0,2,0,0,0,0|2,0,0]=4 9204 B11R0.62 C#CCC(C)OCC(=O)OCC 34a_100000685586_100000188475 [0,2,0,0,0,0|1,0,0]=3 9205 B11R0.62 C#CCC(C)OCC(=O)OCC 7a_100000685586_100000188475 [0,2,0,0,0,0|1,0,0]=3 9206 B11R0.62 C#CCN(C)CCC(=O)NCC 2230a_100000225692_100000737597 [0,2,0,0,0,0|2,0,0]=4 9207 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000225692_100011206558 [0,2,0,0,0,0|1,0,0]=3 9208 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000745921_100000038162 [0,2,0,0,0,0|1,0,0]=3 9209 B11R0.62 C#CCN(C)CCC(=O)OCC 34a_100000225692_100000765890 [0,2,0,0,0,0|1,0,0]=3 9210 B11R0.62 C/C=C/C(C)OCC(=O)NCC 34a_200102604097_100000183381 [0,2,0,0,0,0|2,0,0]=4 9211 B11R0.62 C/C=C/C(C)OCC(=O)OCC 34a_200102604097_100000188475 [0,2,0,0,0,0|1,0,0]=3 9212 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,2,0,0,0,0|1,0,1]=4 9213 B11R0.62 C=CCN(C)CCC(=O)NCC 2230a_100000225617_100000737597 [0,2,0,0,0,0|2,0,0]=4 9214 B11R0.62 C=CCN(C)CCC(=O)NCC 269982a_100000225617_100000737597 [0,2,0,0,0,0|2,0,0]=4 9215 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000225617_100011206558 [0,2,0,0,0,0|1,0,0]=3 9216 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000745921_100000210623 [0,2,0,0,0,0|1,0,0]=3 9217 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000225617_100011206558 [0,2,0,0,0,0|1,0,0]=3 9218 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000745921_100000210623 [0,2,0,0,0,0|1,0,0]=3 9219 B11R0.62 C=CC[C@@H](C)OCC(=O)CCC 7a_100000731007_100000747444 [0,2,0,0,0,0|2,0,0]=4 9220 B11R0.62 C=CC[C@@H](C)OCC(=O)NCC 34a_100000731007_100000183381 [0,2,0,0,0,0|2,0,0]=4 9221 B11R0.62 C=CC[C@@H](C)OCC(=O)NCC 7a_100000731007_100000183381 [0,2,0,0,0,0|2,0,0]=4 9222 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 34a_100000731007_100000188475 [0,2,0,0,0,0|1,0,0]=3 9223 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 7a_100000731007_100000188475 [0,2,0,0,0,0|1,0,0]=3 9224 B11R0.62 CC#CC(C)OCC(=O)NCC 34a_100011216543_100000183381 [0,2,0,0,0,0|2,0,0]=4 9225 B11R0.62 CC#CC(C)OCC(=O)OCC 34a_100011216543_100000188475 [0,2,0,0,0,0|1,0,0]=3 9226 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,2,0,0,0,0|1,0,1]=4 9227 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,2,0,0,0,0|2,0,0]=4 9228 B11R0.62 CCCC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000747444 [0,2,0,0,0,0|2,0,0]=4 9229 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,2,0,0,0,0|2,0,0]=4 9230 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,2,0,0,0,0|2,0,0]=4 9231 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,2,0,0,0,0|2,0,0]=4 9232 B11R0.62 CCCC(=O)CSC(C)CC#N 62a_100000747444_100009813641 [0,2,0,0,0,0|2,0,0]=4 9233 B11R0.62 CCCC(=O)CSC(C)CC#N 62a_100009813641_100000747444 [0,2,0,0,0,0|2,0,0]=4 9234 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,2,0,0,0,0|2,0,0]=4 9235 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,2,0,0,0,0|2,0,0]=4 9236 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,2,0,0,0,0|2,0,0]=4 9237 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,2,0,0,0,0|2,0,0]=4 9238 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,2,0,0,0,0|2,0,0]=4 9239 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,2,0,0,0,0|2,0,0]=4 9240 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,2,0,0,0,0|2,0,0]=4 9241 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,2,0,0,0,0|2,0,0]=4 9242 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,2,0,0,0,0|2,0,0]=4 9243 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,2,0,0,0,0|1,0,0]=3 9244 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,2,0,0,0,0|2,0,0]=4 9245 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,2,0,0,0,0|2,0,0]=4 9246 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,2,0,0,0,0|1,0,0]=3 9247 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,2,0,0,0,0|1,0,0]=3 9248 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,2,0,0,0,0|2,0,0]=4 9249 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,2,0,0,0,0|2,0,0]=4 9250 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,2,0,0,0,0|1,0,0]=3 9251 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,2,0,0,0,0|1,0,0]=3 9252 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,2,0,0,0,0|2,0,0]=4 9253 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,2,0,0,0,0|2,0,0]=4 9254 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,2,0,0,0,0|1,0,0]=3 9255 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,2,0,0,0,0|1,0,0]=3 9256 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,2,0,0,0,0|1,0,0]=3 9257 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,2,0,0,0,0|1,0,0]=3 9258 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,2,0,0,0,0|1,0,1]=4 9259 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,2,0,0,0,0|1,0,1]=4 9260 B11R0.62 CCNC(=O)CCN(C)CC#N 2230a_100000748184_100000737597 [0,2,0,0,0,0|2,0,0]=4 9261 B11R0.62 CCNC(=O)CCN(C)CCO 2230a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 9262 B11R0.62 CCNC(=O)CCN(C)CCO 269982a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 9263 B11R0.62 CCNC(=O)CNC(C)CC#N 2230a_100016988866_100009813641 [0,2,0,0,0,0|2,0,0]=4 9264 B11R0.62 CCNC(=O)CNC(C)CCO 2230a_100016988866_100009893172 [0,2,0,0,0,0|2,0,0]=4 9265 B11R0.62 CCNC(=O)CNC(C)COC 2230a_100016988866_100000765312 [0,2,0,0,0,0|2,0,0]=4 9266 B11R0.62 CCNC(=O)CNC(C)COC 270004a_100016988866_100000749346 [0,2,0,0,0,0|2,0,0]=4 9267 B11R0.62 CCNC(=O)CNC(C)CSC 270004a_100016988866_100011216314 [0,2,0,0,0,0|2,0,0]=4 9268 B11R0.62 CCNC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000183381 [0,2,0,0,0,0|2,0,0]=4 9269 B11R0.62 CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 9270 B11R0.62 CCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 9271 B11R0.62 CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183381 [0,2,0,0,0,0|2,0,0]=4 9272 B11R0.62 CCNC(=O)COC(C)CCBr 34a_100012276601_100000183381 [0,2,0,0,0,0|2,0,0]=4 9273 B11R0.62 CCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183381 [0,2,0,0,0,0|2,0,0]=4 9274 B11R0.62 CCNC(=O)CSC(C)CC#N 62a_100000183381_100009813641 [0,2,0,0,0,0|2,0,0]=4 9275 B11R0.62 CCNC(=O)CSC(C)CC#N 62a_100009813641_100000183381 [0,2,0,0,0,0|2,0,0]=4 9276 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100000183381_100009893172 [0,2,0,0,0,0|2,0,0]=4 9277 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100009893172_100000183381 [0,2,0,0,0,0|2,0,0]=4 9278 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000183381_100000765312 [0,2,0,0,0,0|2,0,0]=4 9279 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000765312_100000183381 [0,2,0,0,0,0|2,0,0]=4 9280 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,2,0,0,0,0|0,0,0]=2 9281 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,2,0,0,0,0|1,0,1]=4 9282 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,2,0,0,0,0|1,0,1]=4 9283 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|1,0,1]=4 9284 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,2,0,0,0,0|0,0,0]=2 9285 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,2,0,0,0,0|0,0,0]=2 9286 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,2,0,0,0,0|0,0,0]=2 9287 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,2,0,0,0,0|0,0,0]=2 9288 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,2,0,0,0,0|0,0,0]=2 9289 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000745921_100011215382 [0,2,0,0,0,0|1,0,0]=3 9290 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000748184_100011206558 [0,2,0,0,0,0|1,0,0]=3 9291 B11R0.62 CCOC(=O)CCN(C)CC#N 269982a_100000745921_100011214920 [0,2,0,0,0,0|1,0,0]=3 9292 B11R0.62 CCOC(=O)CCN(C)CC=O 2230a_100000745921_200015260668 [0,2,0,0,0,0|1,0,0]=3 9293 B11R0.62 CCOC(=O)CCN(C)CC=O 269982a_100000745921_200015260668 [0,2,0,0,0,0|1,0,0]=3 9294 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,2,0,0,0,0|1,0,0]=3 9295 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,2,0,0,0,0|1,0,0]=3 9296 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,2,0,0,0,0|1,0,0]=3 9297 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,2,0,0,0,0|1,0,0]=3 9298 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,2,0,0,0,0|1,0,0]=3 9299 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,2,0,0,0,0|1,0,0]=3 9300 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,2,0,0,0,0|1,0,0]=3 9301 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,2,0,0,0,0|1,0,0]=3 9302 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,2,0,0,0,0|1,0,0]=3 9303 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,2,0,0,0,0|1,0,0]=3 9304 B11R0.62 CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000188475 [0,2,0,0,0,0|1,0,0]=3 9305 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,2,0,0,0,0|1,0,0]=3 9306 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,2,0,0,0,0|1,0,0]=3 9307 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,2,0,0,0,0|1,0,0]=3 9308 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,2,0,0,0,0|1,0,0]=3 9309 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,2,0,0,0,0|1,0,0]=3 9310 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100000188475_100009813641 [0,2,0,0,0,0|1,0,0]=3 9311 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100009813641_100000188475 [0,2,0,0,0,0|1,0,0]=3 9312 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,2,0,0,0,0|1,0,0]=3 9313 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,2,0,0,0,0|1,0,0]=3 9314 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,2,0,0,0,0|1,0,0]=3 9315 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,2,0,0,0,0|1,0,0]=3 9316 B11R0.170 C#CC(C)(C)NCC(=O)NCC 34a_100000054563_100000183381 [0,2,0,0,0,0|2,0,0]=4 9317 B11R0.170 C#CC(C)(C)NCC(=O)OCC 34a_100000054563_100000188475 [0,2,0,0,0,0|1,0,0]=3 9318 B11R0.170 C#CC(C)(C)OCC(=O)CCC 7a_100000189450_100000747444 [0,2,0,0,0,0|2,0,0]=4 9319 B11R0.170 C#CC(C)(C)OCC(=O)NCC 34a_100000189450_100000183381 [0,2,0,0,0,0|2,0,0]=4 9320 B11R0.170 C#CC(C)(C)OCC(=O)NCC 7a_100000189450_100000183381 [0,2,0,0,0,0|2,0,0]=4 9321 B11R0.170 C#CC(C)(C)OCC(=O)OCC 34a_100000189450_100000188475 [0,2,0,0,0,0|1,0,0]=3 9322 B11R0.170 C#CC(C)(C)OCC(=O)OCC 7a_100000189450_100000188475 [0,2,0,0,0,0|1,0,0]=3 9323 B11R0.170 C#CC(C)(C)SCC(=O)CCC 62a_100000038118_100000747444 [0,2,0,0,0,0|2,0,0]=4 9324 B11R0.170 C#CC(C)(C)SCC(=O)CCC 62a_100000747444_100000038118 [0,2,0,0,0,0|2,0,0]=4 9325 B11R0.170 C#CC(C)(C)SCC(=O)NCC 62a_100000038118_100000183381 [0,2,0,0,0,0|2,0,0]=4 9326 B11R0.170 C#CC(C)(C)SCC(=O)NCC 62a_100000183381_100000038118 [0,2,0,0,0,0|2,0,0]=4 9327 B11R0.170 C#CC(C)(C)SCC(=O)OCC 62a_100000038118_100000188475 [0,2,0,0,0,0|1,0,0]=3 9328 B11R0.170 C#CC(C)(C)SCC(=O)OCC 62a_100000188475_100000038118 [0,2,0,0,0,0|1,0,0]=3 9329 B11R0.170 C=CC(C)(C)OCC(=O)CCC 7a_100011215311_100000747444 [0,2,0,0,0,0|2,0,0]=4 9330 B11R0.170 C=CC(C)(C)OCC(=O)NCC 34a_100011215311_100000183381 [0,2,0,0,0,0|2,0,0]=4 9331 B11R0.170 C=CC(C)(C)OCC(=O)NCC 7a_100011215311_100000183381 [0,2,0,0,0,0|2,0,0]=4 9332 B11R0.170 C=CC(C)(C)OCC(=O)OCC 34a_100011215311_100000188475 [0,2,0,0,0,0|1,0,0]=3 9333 B11R0.170 C=CC(C)(C)OCC(=O)OCC 7a_100011215311_100000188475 [0,2,0,0,0,0|1,0,0]=3 9334 B11R0.170 CCCC(=O)CNC(C)(C)CC 2230a_100000211385_100000747444 [0,2,0,0,0,0|2,0,0]=4 9335 B11R0.170 CCCC(=O)CNC(C)(C)CO 2230a_100000210608_100000747444 [0,2,0,0,0,0|2,0,0]=4 9336 B11R0.170 CCCC(=O)COC(C)(C)CC 7a_100000210230_100000747444 [0,2,0,0,0,0|2,0,0]=4 9337 B11R0.170 CCCC(=O)COC(C)(C)CCl 7a_100000764493_100000747444 [0,2,0,0,0,0|2,0,0]=4 9338 B11R0.170 CCCC(=O)CSC(C)(C)C#N 62a_100000747444_100011162410 [0,2,0,0,0,0|2,0,0]=4 9339 B11R0.170 CCCC(=O)CSC(C)(C)C#N 62a_100011162410_100000747444 [0,2,0,0,0,0|2,0,0]=4 9340 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000032637_100000747444 [0,2,0,0,0,0|2,0,0]=4 9341 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000747444_100000032637 [0,2,0,0,0,0|2,0,0]=4 9342 B11R0.170 CCCC(=O)NCC(C)(C)CO 240690a_100020635058_100000211992 [0,2,0,0,0,0|2,0,0]=4 9343 B11R0.170 CCCC(=O)NCC(C)(C)CO 527a_100020635058_100000211992 [0,2,0,0,0,0|2,0,0]=4 9344 B11R0.170 CCCC(=O)NCC(C)(C)OC 11a_100000763424_100000211992 [0,2,0,0,0,0|2,0,0]=4 9345 B11R0.170 CCCC(=O)NCC(C)(C)OC 1626a_100000763424_100000211992 [0,2,0,0,0,0|2,0,0]=4 9346 B11R0.170 CCCC(=O)NCC(C)(C)OC 240690a_100000763424_100000211992 [0,2,0,0,0,0|2,0,0]=4 9347 B11R0.170 CCCC(=O)NCC(C)(C)OC 527a_100000763424_100000211992 [0,2,0,0,0,0|2,0,0]=4 9348 B11R0.170 CCNC(=O)CNC(C)(C)CC 2230a_100000211385_100000183381 [0,2,0,0,0,0|2,0,0]=4 9349 B11R0.170 CCNC(=O)CNC(C)(C)CO 2230a_100000210608_100000183381 [0,2,0,0,0,0|2,0,0]=4 9350 B11R0.170 CCNC(=O)COC(C)(C)C#N 34a_200015195151_100000183381 [0,2,0,0,0,0|2,0,0]=4 9351 B11R0.170 CCNC(=O)COC(C)(C)CC 7a_100000210230_100000183381 [0,2,0,0,0,0|2,0,0]=4 9352 B11R0.170 CCNC(=O)COC(C)(C)CCl 7a_100000764493_100000183381 [0,2,0,0,0,0|2,0,0]=4 9353 B11R0.170 CCNC(=O)CSC(C)(C)C#N 62a_100000183381_100011162410 [0,2,0,0,0,0|2,0,0]=4 9354 B11R0.170 CCNC(=O)CSC(C)(C)C#N 62a_100011162410_100000183381 [0,2,0,0,0,0|2,0,0]=4 9355 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000032637_100000183381 [0,2,0,0,0,0|2,0,0]=4 9356 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000183381_100000032637 [0,2,0,0,0,0|2,0,0]=4 9357 B11R0.170 CCNC(=O)NCC(C)(C)CO 2708a_100015525214_100020635058 [0,2,0,0,0,0|2,0,0]=4 9358 B11R0.170 CCNC(=O)NCC(C)(C)CO 273464a_100015525214_100020635058 [0,2,0,0,0,0|2,0,0]=4 9359 B11R0.170 CCNC(=O)NCC(C)(C)CO 273464a_100020635058_100015525214 [0,2,0,0,0,0|2,0,0]=4 9360 B11R0.170 CCNC(=O)NCC(C)(C)CO 512a_100015525214_100020635058 [0,2,0,0,0,0|2,0,0]=4 9361 B11R0.170 CCNC(=O)NCC(C)(C)CO 512a_100020635058_100015525214 [0,2,0,0,0,0|2,0,0]=4 9362 B11R0.170 CCNC(=O)NCC(C)(C)OC 2708a_100000763424_100015525214 [0,2,0,0,0,0|2,0,0]=4 9363 B11R0.170 CCNC(=O)NCC(C)(C)OC 2708a_100015525214_100000763424 [0,2,0,0,0,0|2,0,0]=4 9364 B11R0.170 CCNC(=O)NCC(C)(C)OC 273464a_100000763424_100015525214 [0,2,0,0,0,0|2,0,0]=4 9365 B11R0.170 CCNC(=O)NCC(C)(C)OC 273464a_100015525214_100000763424 [0,2,0,0,0,0|2,0,0]=4 9366 B11R0.170 CCNC(=O)NCC(C)(C)OC 512a_100000763424_100015525214 [0,2,0,0,0,0|2,0,0]=4 9367 B11R0.170 CCNC(=O)NCC(C)(C)OC 512a_100015525214_100000763424 [0,2,0,0,0,0|2,0,0]=4 9368 B11R0.170 CCOC(=O)CNC(C)(C)CC 2230a_100000211385_100000188475 [0,2,0,0,0,0|1,0,0]=3 9369 B11R0.170 CCOC(=O)CNC(C)(C)CO 2230a_100000210608_100000188475 [0,2,0,0,0,0|1,0,0]=3 9370 B11R0.170 CCOC(=O)COC(C)(C)C#N 34a_200015195151_100000188475 [0,2,0,0,0,0|1,0,0]=3 9371 B11R0.170 CCOC(=O)COC(C)(C)CC 7a_100000210230_100000188475 [0,2,0,0,0,0|1,0,0]=3 9372 B11R0.170 CCOC(=O)COC(C)(C)CCl 7a_100000764493_100000188475 [0,2,0,0,0,0|1,0,0]=3 9373 B11R0.170 CCOC(=O)CSC(C)(C)C#N 62a_100000188475_100011162410 [0,2,0,0,0,0|1,0,0]=3 9374 B11R0.170 CCOC(=O)CSC(C)(C)C#N 62a_100011162410_100000188475 [0,2,0,0,0,0|1,0,0]=3 9375 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000032637_100000188475 [0,2,0,0,0,0|1,0,0]=3 9376 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000188475_100000032637 [0,2,0,0,0,0|1,0,0]=3 9377 B11R0.170 CCOC(=O)CSC(F)(F)CO 62a_100000188475_100011217949 [0,2,0,0,0,0|2,0,0]=4 9378 B11R0.170 CCOC(=O)CSC(F)(F)CO 62a_100011217949_100000188475 [0,2,0,0,0,0|2,0,0]=4 9379 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,1,0,0|2,0,0]=4 9380 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,0]=3 9381 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 9382 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 9383 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|2,0,0]=4 9384 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [1,0,0,1,0,0|2,0,0]=4 9385 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 9386 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 9387 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|2,0,0]=4 9388 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [1,0,0,1,0,0|2,0,0]=4 9389 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [1,0,0,1,0,0|1,0,1]=4 9390 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 9391 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,1]=4 9392 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 9393 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|0,0,2]=4 9394 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 9395 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 9396 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 9397 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 9398 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 9399 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 9400 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 9401 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 9402 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 9403 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|2,0,0]=4 9404 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 9405 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 9406 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,0]=3 9407 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|2,0,0]=4 9408 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|2,0,0]=4 9409 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,0]=3 9410 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 9411 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|2,0,0]=4 9412 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|2,0,0]=4 9413 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,0]=3 9414 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,0]=3 9415 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 9416 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [1,0,0,1,0,0|2,0,0]=4 9417 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [1,0,0,1,0,0|2,0,0]=4 9418 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 9419 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 9420 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 9421 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 9422 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 9423 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [1,0,0,1,0,0|1,0,1]=4 9424 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [1,0,0,1,0,0|1,0,1]=4 9425 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,0]=3 9426 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,0]=3 9427 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|2,0,0]=4 9428 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|2,0,0]=4 9429 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|2,0,0]=4 9430 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 9431 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 9432 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 9433 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 9434 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 9435 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 9436 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 9437 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 9438 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 9439 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 9440 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 9441 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 9442 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 9443 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 9444 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 9445 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 9446 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 9447 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|2,0,0]=4 9448 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 9449 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [1,0,0,1,0,0|2,0,0]=4 9450 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|2,0,0]=4 9451 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|2,0,0]=4 9452 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|2,0,0]=4 9453 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|2,0,0]=4 9454 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|2,0,0]=4 9455 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|2,0,0]=4 9456 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|2,0,0]=4 9457 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|2,0,0]=4 9458 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|2,0,0]=4 9459 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|2,0,0]=4 9460 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [1,0,0,1,0,0|1,0,1]=4 9461 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [1,0,0,1,0,0|1,0,1]=4 9462 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|1,0,0]=3 9463 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|1,0,0]=3 9464 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|2,0,0]=4 9465 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|2,0,0]=4 9466 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|2,0,0]=4 9467 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 9468 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 9469 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 9470 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 9471 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 9472 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 9473 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 9474 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 9475 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 9476 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 9477 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 9478 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [1,0,0,1,0,0|2,0,0]=4 9479 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [1,0,0,1,0,0|2,0,0]=4 9480 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [1,0,0,1,0,0|2,0,0]=4 9481 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [1,0,0,1,0,0|2,0,0]=4 9482 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [1,0,0,1,0,0|2,0,0]=4 9483 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [1,0,0,1,0,0|2,0,0]=4 9484 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|1,0,0]=3 9485 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [1,0,0,1,0,0|2,0,0]=4 9486 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 9487 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 9488 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 9489 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 9490 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [1,0,0,1,0,0|2,0,0]=4 9491 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [1,0,0,1,0,0|2,0,0]=4 9492 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [1,0,0,1,0,0|2,0,0]=4 9493 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [1,0,0,1,0,0|2,0,0]=4 9494 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [1,0,0,1,0,0|2,0,0]=4 9495 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [1,0,0,1,0,0|2,0,0]=4 9496 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [1,0,0,1,0,0|2,0,0]=4 9497 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [1,0,0,1,0,0|2,0,0]=4 9498 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [1,0,0,1,0,0|2,0,0]=4 9499 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 9500 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 9501 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|2,0,0]=4 9502 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|2,0,0]=4 9503 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,0]=3 9504 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|2,0,0]=4 9505 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 9506 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 9507 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 9508 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 9509 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 9510 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 9511 B9R1.6 CC(C)N1CC=CCC1 2230a_100000698166_100000210206 [1,0,0,1,0,0|2,0,0]=4 9512 B9R1.6 CC(C)N1CC=CCC1 269982a_100000698166_100000210206 [1,0,0,1,0,0|2,0,0]=4 9513 B9R1.6 CC(C)N1CC=CCC1 34a_100000698166_100000210206 [1,0,0,1,0,0|2,0,0]=4 9514 B9R1.6 CC(C)N1CCOCC1 2230a_100015191051_100000210206 [1,0,0,1,0,0|1,0,1]=4 9515 B9R1.6 CC(C)N1CCOCC1 269982a_100015191051_100000210206 [1,0,0,1,0,0|1,0,1]=4 9516 B9R1.6 CC(C)N1CCOCC1 34a_100015191051_100000210206 [1,0,0,1,0,0|1,0,1]=4 9517 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [1,0,0,1,0,0|1,0,1]=4 9518 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [1,0,0,1,0,0|1,0,1]=4 9519 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [1,0,0,1,0,0|1,0,1]=4 9520 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [1,0,0,1,0,0|1,0,1]=4 9521 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [1,0,0,1,0,0|1,0,1]=4 9522 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [1,0,0,1,0,0|1,0,1]=4 9523 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [1,0,0,1,0,0|1,0,1]=4 9524 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [1,0,0,1,0,0|1,0,1]=4 9525 B9R1.13 CC(C)NC1CCOC1 2230a_100138425928_100000731011 [1,0,0,1,0,0|1,0,1]=4 9526 B9R1.13 CC(C)NC1CCOC1 34a_100138425928_100000690089 [1,0,0,1,0,0|1,0,1]=4 9527 B9R1.13 CC(C)N[C@@H]1CCOC1 2230a_200015188469_100000210206 [1,0,0,1,0,0|1,0,1]=4 9528 B9R1.13 CC(C)N[C@H]1CCOC1 2230a_100015188467_100000210206 [1,0,0,1,0,0|1,0,1]=4 9529 B9R1.13 CC(C)N[C@H]1CCOC1 34a_100015188467_100000210206 [1,0,0,1,0,0|1,0,1]=4 9530 B9R1.13 CC(C)OC1CCOC1 34a_100000212225_100000690089 [1,0,0,1,0,0|1,0,1]=4 9531 B9R1.13 CC(C)O[C@H]1CCOC1 34a_100000717292_100000210206 [1,0,0,1,0,0|1,0,1]=4 9532 B9R1.13 CC(C)SC1CCOC1 62a_100000210206_100000690089 [1,0,0,1,0,0|1,0,1]=4 9533 B9R1.13 CN(C)CC1CCOC1 2230a_100000684583_200000210301 [1,0,0,1,0,0|1,0,1]=4 9534 B9R1.13 CN(C)CC1CCOC1 2230a_100102631434_100000702531 [1,0,0,1,0,0|1,0,1]=4 9535 B9R1.13 CN(C)CC1CCOC1 269982a_100000684583_200000210301 [1,0,0,1,0,0|1,0,1]=4 9536 B9R1.13 CN(C)CC1CCOC1 269982a_100102631434_100000702531 [1,0,0,1,0,0|1,0,1]=4 9537 B9R1.13 CN(C)CC1CCOC1 34a_100000684583_200000210301 [1,0,0,1,0,0|1,0,1]=4 9538 B9R1.13 CN([13CH3])CC1CCOC1 2230a_100000684583_200025704644 [1,0,0,1,0,0|1,0,1]=4 9539 B9R1.13 CN([13CH3])CC1CCOC1 269982a_100000684583_200025704644 [1,0,0,1,0,0|1,0,1]=4 9540 B9R1.13 CN([13CH3])CC1CCOC1 34a_100000684583_200025704644 [1,0,0,1,0,0|1,0,1]=4 9541 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 9542 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 9543 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [1,0,0,1,0,0|1,0,1]=4 9544 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [1,0,0,1,0,0|1,0,1]=4 9545 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [1,0,0,1,0,0|1,0,1]=4 9546 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [1,0,0,1,0,0|1,0,1]=4 9547 B9R1.77 CC1(CC1COCF)C 34a_100000728257_100015361967 [1,0,0,1,0,0|1,0,1]=4 9548 B9R1.77 CC1(CC1COCF)C 7a_100000728257_100015361967 [1,0,0,1,0,0|1,0,1]=4 9549 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [1,0,0,1,0,0|0,0,1]=3 9550 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [1,0,0,1,0,0|0,0,1]=3 9551 B9R1.77 CCOCC1OC1(C)C 34a_200010283642_100000210202 [1,0,0,1,0,0|1,0,1]=4 9552 B9R1.77 CCOCC1OC1(C)C 7a_200010283642_100000210202 [1,0,0,1,0,0|1,0,1]=4 9553 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|2,0,0]=4 9554 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|2,0,0]=4 9555 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|2,0,0]=4 9556 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|2,0,0]=4 9557 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|2,0,0]=4 9558 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 9559 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 9560 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|2,0,0]=4 9561 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|2,0,0]=4 9562 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,1]=4 9563 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [1,0,0,1,0,0|1,0,1]=4 9564 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [1,0,0,1,0,0|1,0,1]=4 9565 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [1,0,0,1,0,0|1,0,1]=4 9566 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [1,0,0,1,0,0|1,0,1]=4 9567 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [1,0,0,1,0,0|1,0,1]=4 9568 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [1,0,0,1,0,0|1,0,1]=4 9569 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [1,0,0,1,0,0|1,0,1]=4 9570 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [1,0,0,1,0,0|2,0,0]=4 9571 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [1,0,0,1,0,0|1,0,1]=4 9572 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [1,0,0,1,0,0|1,0,1]=4 9573 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [1,0,0,1,0,0|1,0,1]=4 9574 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [1,0,0,1,0,0|1,0,1]=4 9575 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [1,0,0,1,0,0|1,0,1]=4 9576 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [1,0,0,1,0,0|1,0,1]=4 9577 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [1,0,0,1,0,0|1,0,1]=4 9578 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [1,0,0,1,0,0|1,0,1]=4 9579 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [1,0,0,1,0,0|2,0,0]=4 9580 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [1,0,0,1,0,0|2,0,0]=4 9581 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [1,0,0,1,0,0|2,0,0]=4 9582 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [1,0,0,1,0,0|1,0,1]=4 9583 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [1,0,0,1,0,0|1,0,1]=4 9584 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [1,0,0,1,0,0|2,0,0]=4 9585 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [1,0,0,1,0,0|2,0,0]=4 9586 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [1,0,0,1,0,0|2,0,0]=4 9587 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [1,0,0,1,0,0|1,0,1]=4 9588 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [1,0,0,1,0,0|1,0,1]=4 9589 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [1,0,0,1,0,0|1,0,1]=4 9590 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [1,0,0,1,0,0|2,0,0]=4 9591 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [1,0,0,1,0,0|2,0,0]=4 9592 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [1,0,0,1,0,0|2,0,0]=4 9593 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [1,0,0,1,0,0|2,0,0]=4 9594 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [1,0,0,1,0,0|2,0,0]=4 9595 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 9596 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 9597 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 9598 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 9599 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 9600 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 9601 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [1,0,0,1,0,0|0,0,2]=4 9602 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [1,0,0,1,0,0|0,0,2]=4 9603 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [1,0,0,1,0,0|0,0,2]=4 9604 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|0,0,0]=2 9605 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|0,0,0]=2 9606 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|1,0,0]=3 9607 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [1,0,0,1,0,0|1,0,0]=3 9608 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [1,0,0,1,0,0|1,0,0]=3 9609 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 9610 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 9611 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 9612 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 9613 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [1,0,0,1,0,0|2,0,0]=4 9614 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [1,0,0,1,0,0|2,0,0]=4 9615 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [1,0,0,1,0,0|2,0,0]=4 9616 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [1,0,0,1,0,0|1,0,0]=3 9617 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 9618 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 9619 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 9620 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [1,0,0,1,0,0|2,0,0]=4 9621 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [1,0,0,1,0,0|2,0,0]=4 9622 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [1,0,0,1,0,0|2,0,0]=4 9623 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [1,0,0,1,0,0|2,0,0]=4 9624 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 9625 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 9626 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 9627 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 9628 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [1,0,0,1,0,0|2,0,0]=4 9629 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [1,0,0,1,0,0|1,0,0]=3 9630 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [1,0,0,1,0,0|1,0,0]=3 9631 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [1,0,0,1,0,0|1,0,0]=3 9632 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [1,0,0,1,0,0|1,0,0]=3 9633 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [1,0,0,1,0,0|2,0,0]=4 9634 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 9635 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 9636 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [1,0,0,1,0,0|0,0,2]=4 9637 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [1,0,0,1,0,0|1,0,0]=3 9638 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [1,0,0,1,0,0|2,0,0]=4 9639 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [1,0,0,1,0,0|2,0,0]=4 9640 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [1,0,0,1,0,0|0,0,0]=2 9641 B9R1.82 CCC(=O)C1CC(C1)F 1458a_100000062598_100000210202 [1,0,0,1,0,0|1,0,0]=3 9642 B9R1.82 CCC(=O)C1CN(C1)C 1458a_100012002723_100000210202 [1,0,0,1,0,0|1,0,0]=3 9643 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [1,0,0,1,0,0|1,0,0]=3 9644 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [1,0,0,1,0,0|1,0,0]=3 9645 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [1,0,0,1,0,0|1,0,0]=3 9646 B9R1.82 CCC(=O)N1CC(C1)F 11a_100000690557_100000210414 [1,0,0,1,0,0|2,0,0]=4 9647 B9R1.82 CCC(=O)N1CC(C1)F 240690a_100000690557_100000210414 [1,0,0,1,0,0|2,0,0]=4 9648 B9R1.82 CCC(=O)N1CC(C1)F 527a_100000690557_100000210414 [1,0,0,1,0,0|2,0,0]=4 9649 B9R1.82 CCC(=O)N1CC(C1)O 11a_100000749847_100000210414 [1,0,0,1,0,0|2,0,0]=4 9650 B9R1.82 CCC(=O)N1CC(C1)O 240690a_100000749847_100000210414 [1,0,0,1,0,0|2,0,0]=4 9651 B9R1.82 CCC(=O)N1CC(C1)O 527a_100000749847_100000210414 [1,0,0,1,0,0|2,0,0]=4 9652 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [1,0,0,1,0,0|1,0,0]=3 9653 B9R1.82 CN1CC(C1)C(=O)CF 1458a_100012002723_100015361967 [1,0,0,1,0,0|2,0,0]=4 9654 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [1,0,0,1,0,0|1,0,0]=3 9655 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [1,0,0,1,0,0|1,0,0]=3 9656 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [1,0,0,1,0,0|1,0,0]=3 9657 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [1,0,0,1,0,0|1,0,0]=3 9658 B9R1.82 CNC(=O)C1CC(C1)F 11a_106832991635_100000062598 [1,0,0,1,0,0|2,0,0]=4 9659 B9R1.82 CNC(=O)C1CC(C1)F 1626a_100102657272_100000062598 [1,0,0,1,0,0|2,0,0]=4 9660 B9R1.82 CNC(=O)C1CC(C1)F 240690a_100102657272_100000062598 [1,0,0,1,0,0|2,0,0]=4 9661 B9R1.82 CNC(=O)C1CC(C1)F 527a_100102657272_100000062598 [1,0,0,1,0,0|2,0,0]=4 9662 B9R1.82 CNC(=O)C1CN(C1)C 240690a_100102657272_100012002723 [1,0,0,1,0,0|2,0,0]=4 9663 B9R1.82 CNC(=O)C1CN(C1)C 34a_100000703363_200000210301 [1,0,0,1,0,0|2,0,0]=4 9664 B9R1.82 CNC(=O)C1CN(C1)[13CH3] 34a_100000703363_200025704644 [1,0,0,1,0,0|2,0,0]=4 9665 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [1,0,0,1,0,0|2,0,0]=4 9666 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [1,0,0,1,0,0|2,0,0]=4 9667 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [1,0,0,1,0,0|2,0,0]=4 9668 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [1,0,0,1,0,0|2,0,0]=4 9669 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [1,0,0,1,0,0|1,0,0]=3 9670 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [1,0,0,1,0,0|1,0,0]=3 9671 B9R1.82 O=C(CF)C1CC(C1)F 1458a_100000062598_100015361967 [1,0,0,1,0,0|2,0,0]=4 9672 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [1,0,0,1,0,0|2,0,0]=4 9673 B9R1.133 CCN1CCC(C1)(C)C 2230a_100000764714_100000210202 [1,0,0,1,0,0|2,0,0]=4 9674 B9R1.133 CCN1CCC(C1)(C)C 269982a_100000764714_100000204670 [1,0,0,1,0,0|2,0,0]=4 9675 B9R1.138 CC1N(CCC1(C)C)C 2230a_100102837566_200000210301 [1,0,0,1,0,0|2,0,0]=4 9676 B9R1.138 CC1N(CCC1(C)C)C 269982a_100102837566_200000210301 [1,0,0,1,0,0|2,0,0]=4 9677 B9R1.138 CC1N(CCC1(C)C)C 34a_100102837566_200000210301 [1,0,0,1,0,0|2,0,0]=4 9678 B9R1.138 CC1N(CCC1(C)C)[13CH3] 2230a_100102837566_200025704644 [1,0,0,1,0,0|2,0,0]=4 9679 B9R1.138 CC1N(CCC1(C)C)[13CH3] 269982a_100102837566_200025704644 [1,0,0,1,0,0|2,0,0]=4 9680 B9R1.138 CC1N(CCC1(C)C)[13CH3] 34a_100102837566_200025704644 [1,0,0,1,0,0|2,0,0]=4 9681 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [1,0,0,1,0,0|1,0,0]=3 9682 B9R1.185 CCC(=O)C1CC1(F)F 1458a_100000042250_100000210202 [1,0,0,1,0,0|2,0,0]=4 9683 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [1,0,0,1,0,0|0,0,0]=2 9684 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [1,0,0,1,0,0|1,0,0]=3 9685 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [1,0,0,1,0,0|1,0,0]=3 9686 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [1,0,0,1,0,0|1,0,0]=3 9687 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [1,0,0,1,0,0|1,0,0]=3 9688 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,0,0,1,1,0|1,0,0]=3 9689 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,0,0,1,1,0|2,0,0]=4 9690 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,0,0,1,1,0|2,0,0]=4 9691 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,0,0,1,1,0|2,0,0]=4 9692 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,0,0,1,1,0|2,0,0]=4 9693 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,0,0,1,1,0|2,0,0]=4 9694 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,0,1,1,0|2,0,0]=4 9695 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [0,0,0,1,1,0|2,0,0]=4 9696 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [0,0,0,1,1,0|2,0,0]=4 9697 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210699 [0,0,0,1,0,1|1,0,1]=4 9698 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210699 [0,0,0,1,0,1|1,0,1]=4 9699 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,0,0,1,0,1|2,0,0]=4 9700 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,0,0,1,0,1|2,0,0]=4 9701 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,0,0,1,0,1|2,0,0]=4 9702 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,0,0,1,0,1|2,0,0]=4 9703 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 9704 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 9705 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 9706 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,0,0,1,0,1|2,0,0]=4 9707 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,0,0,1,0,1|1,0,0]=3 9708 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,0,0,1,0,1|1,0,0]=3 9709 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,0,0,1,0,1|1,0,0]=3 9710 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,0,0,1,0,1|2,0,0]=4 9711 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,0,0,1,0,1|2,0,0]=4 9712 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,0,0,1,0,1|2,0,0]=4 9713 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,0,0,1,0,1|2,0,0]=4 9714 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,0,0,1,0,1|2,0,0]=4 9715 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 2708a_100015525214_100015203821 [0,0,0,1,0,1|2,0,0]=4 9716 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 273464a_100015525214_100015203821 [0,0,0,1,0,1|2,0,0]=4 9717 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [0,0,0,1,0,1|1,0,0]=3 9718 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [0,0,0,1,0,1|1,0,0]=3 9719 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,0,0,1,0,1|1,0,0]=3 9720 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,0,0,1,0,1|1,0,0]=3 9721 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,0,0,1,0,1|1,0,0]=3 9722 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,0,0,1,0,1|1,0,0]=3 9723 B11R1.15 COCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210968 [0,0,0,1,0,1|2,0,0]=4 9724 B11R1.15 COCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210968 [0,0,0,1,0,1|2,0,0]=4 9725 B11R1.15 COCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210968 [0,0,0,1,0,1|2,0,0]=4 9726 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000184570 [0,0,0,1,0,1|2,0,0]=4 9727 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000184570 [0,0,0,1,0,1|2,0,0]=4 9728 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000184570 [0,0,0,1,0,1|2,0,0]=4 9729 B11R1.15 C[C@@H]1CCN(C1)C(=O)CCO 240690a_100016987628_100011216618 [0,0,0,1,0,1|2,0,0]=4 9730 B11R1.90 C=C(C)COC1CCOC1=O 34a_100000210245_100000211211 [0,0,0,1,0,1|0,0,2]=4 9731 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000211211_100000211660 [0,0,0,1,0,1|0,0,2]=4 9732 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000748629_100000211211 [0,0,0,1,0,1|0,0,2]=4 9733 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,0,0,1,0,1|1,0,1]=4 9734 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,0,0,1,0,1|1,0,1]=4 9735 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,0,0,1,0,1|1,0,1]=4 9736 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [0,0,0,1,0,1|2,0,0]=4 9737 B11R1.90 CC(Br)COC1CCOC1=O 34a_100012180447_100000211211 [0,0,0,1,0,1|1,0,0]=3 9738 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,0,0,1,0,1|1,0,0]=3 9739 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,0,0,1,0,1|1,0,0]=3 9740 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,0,0,1,0,1|1,0,0]=3 9741 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,0,0,1,0,1|1,0,0]=3 9742 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,0,0,1,0,1|1,0,0]=3 9743 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,0,0,1,0,1|0,0,0]=2 9744 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,0,0,1,0,1|0,0,0]=2 9745 B11R1.90 CC(C)CNC1CCOC1C 270004a_100000210953_100000691750 [0,0,0,1,0,1|1,0,1]=4 9746 B11R1.90 CC(C)CN[C@@H]1CONC1=O 2230a_100000765999_100000210760 [0,0,0,1,0,1|2,0,0]=4 9747 B11R1.90 CC(C)CN[C@@H]1CONC1=O 270004a_100000765999_100000210432 [0,0,0,1,0,1|2,0,0]=4 9748 B11R1.90 CC(C)CN[C@@H]1CONC1=O 34a_100000765999_100000210624 [0,0,0,1,0,1|2,0,0]=4 9749 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,0,0,1,0,1|1,0,0]=3 9750 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,0,0,1,0,1|1,0,0]=3 9751 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,0,0,1,0,1|0,0,0]=2 9752 B11R1.90 CC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000210624 [0,0,0,1,0,1|1,0,0]=3 9753 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,0,0,1,0,1|1,0,0]=3 9754 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,0,0,1,0,1|1,0,0]=3 9755 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,0,0,1,0,1|0,0,0]=2 9756 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,0,0,1,0,1|0,0,0]=2 9757 B11R1.90 CC(C)OCC1CCNC1=O 34a_100000133458_100000210206 [0,0,0,1,0,1|1,0,0]=3 9758 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000026320_100000210206 [0,0,0,1,0,1|2,0,0]=4 9759 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000210206_100000026320 [0,0,0,1,0,1|2,0,0]=4 9760 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [0,0,0,1,0,1|2,0,0]=4 9761 B11R1.90 CC(F)COC1CCOC1=O 34a_100015925927_100000211211 [0,0,0,1,0,1|1,0,0]=3 9762 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,0,0,1,0,1|2,0,0]=4 9763 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,0,0,1,0,1|2,0,0]=4 9764 B11R1.90 CC(O)CNC1CCNC1=O 2230a_100016995588_100011218427 [0,0,0,1,0,1|2,0,0]=4 9765 B11R1.90 CC(O)CNC1CCNC1=O 34a_100016995588_100011218427 [0,0,0,1,0,1|2,0,0]=4 9766 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,0,0,1,0,1|1,0,0]=3 9767 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,0,0,1,0,1|1,0,0]=3 9768 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,0,0,1,0,1|2,0,0]=4 9769 B11R1.90 CC(O)CO[C@H]1CCNC1=O 34a_100000688343_100011218427 [0,0,0,1,0,1|2,0,0]=4 9770 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,0,0,1,0,1|2,0,0]=4 9771 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,0,0,1,0,1|2,0,0]=4 9772 B11R1.90 CC(O)CSC1CCOC1=O 62a_100000211211_100011218427 [0,0,0,1,0,1|1,0,0]=3 9773 B11R1.90 CC(O)CSC1CCOC1=O 62a_100011218427_100000211211 [0,0,0,1,0,1|1,0,0]=3 9774 B11R1.90 CN(C)CCN1CCCC1=O 2230a_100102631434_100000739059 [0,0,0,1,0,1|2,0,0]=4 9775 B11R1.90 CN(C)CCN1CCCC1=O 269982a_100102631434_100000739059 [0,0,0,1,0,1|2,0,0]=4 9776 B11R1.90 CN(C)CCN1CCNC1=O 2230a_100102631434_100000090651 [0,0,0,1,0,1|2,0,0]=4 9777 B11R1.90 CN(C)CCN1CCNC1=O 269982a_100102631434_100000090651 [0,0,0,1,0,1|2,0,0]=4 9778 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [0,0,0,1,0,1|2,0,0]=4 9779 B11R1.90 C[C@@H](Cl)COC1CCOC1=O 34a_100016084084_100000211211 [0,0,0,1,0,1|1,0,0]=3 9780 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [0,0,0,1,0,1|2,0,0]=4 9781 B11R1.90 C[C@@H](N)COC1CCOC1=O 34a_100000737577_100000211211 [0,0,0,1,0,1|1,0,0]=3 9782 B11R1.90 C[C@@H](O)CNC1CCNC1=O 2230a_100016995588_100009817552 [0,0,0,1,0,1|2,0,0]=4 9783 B11R1.90 C[C@@H](O)CNC1CCNC1=O 34a_100016995588_100009817552 [0,0,0,1,0,1|2,0,0]=4 9784 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,0,0,1,0,1|2,0,0]=4 9785 B11R1.90 C[C@@H](O)CO[C@H]1CCNC1=O 34a_100000688343_100009817552 [0,0,0,1,0,1|2,0,0]=4 9786 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,0,0,1,0,1|2,0,0]=4 9787 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,0,0,1,0,1|2,0,0]=4 9788 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100000211211_100009817552 [0,0,0,1,0,1|1,0,0]=3 9789 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100009817552_100000211211 [0,0,0,1,0,1|1,0,0]=3 9790 B11R1.90 O=C1OCCC1NCC(F)F 34a_100000765723_100000211211 [0,0,0,1,0,1|2,0,0]=4 9791 B11R1.90 O=C1OCCC1OCC(F)F 34a_100000743014_100000211211 [0,0,0,1,0,1|2,0,0]=4 9792 B11R1.90 O=C1OCCC1SCC(F)F 62a_100000211211_100011934356 [0,0,0,1,0,1|2,0,0]=4 9793 B11R1.90 O=C1OCCC1SCC(F)F 62a_100011934356_100000211211 [0,0,0,1,0,1|2,0,0]=4 9794 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,0,0,1,0,1|1,0,1]=4 9795 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,0,0,1,0,1|1,0,1]=4 9796 B11R1.120 CCOC1CN(C1)CC(C)C 269982a_100000732654_100000210624 [0,0,0,1,0,1|1,0,1]=4 9797 B11R1.120 CCOC1CN(C1)CC(C)C 270004a_100000732654_100000210432 [0,0,0,1,0,1|1,0,1]=4 9798 B11R1.120 CCOC1CN(C1)CC(C)C 34a_100000732654_100000210624 [0,0,0,1,0,1|1,0,1]=4 9799 B11R1.124 CCO[C@H]1CCN(C1)C(C)C 2230a_100011787710_100000210206 [0,0,0,1,0,1|1,0,1]=4 9800 B11R1.124 CCO[C@H]1CCN(C1)C(C)C 269982a_100011787710_100000210206 [0,0,0,1,0,1|1,0,1]=4 9801 B11R1.124 CCO[C@H]1CCN(C1)C(C)C 34a_100011787710_100000210206 [0,0,0,1,0,1|1,0,1]=4 9802 B11R1.157 C=C(C)CN1CCOC(=O)C1 2230a_100000131268_100000748629 [0,0,0,1,0,1|0,0,2]=4 9803 B11R1.157 CC(C)CN1CCNC(=O)C1 2230a_100000184651_100000210760 [0,0,0,1,0,1|1,0,0]=3 9804 B11R1.157 CC(C)CN1CCNC(=O)C1 270004a_100000184651_100000210432 [0,0,0,1,0,1|1,0,0]=3 9805 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,0,0,1,0,1|0,0,0]=2 9806 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,0,0,1,0,1|0,0,0]=2 9807 B11R1.157 CC(C)CN1CCOC(C1)C 2230a_100000729577_100000210760 [0,0,0,1,0,1|1,0,1]=4 9808 B11R1.157 CC(C)CN1CCOC(C1)C 269982a_100000729577_100000210624 [0,0,0,1,0,1|1,0,1]=4 9809 B11R1.157 CC(C)CN1CCOC(C1)C 270004a_100000729577_100000210432 [0,0,0,1,0,1|1,0,1]=4 9810 B11R1.157 CC(C)CN1CCOC(C1)C 34a_100000729577_100000210624 [0,0,0,1,0,1|1,0,1]=4 9811 B11R1.157 CC(C)CN1CCOC(C1)O 2230a_100000688207_100000210760 [0,0,0,1,0,1|0,0,2]=4 9812 B11R1.157 CC(C)CN1CCOC(C1)O 269982a_100000688207_100000210624 [0,0,0,1,0,1|0,0,2]=4 9813 B11R1.157 CC(C)CN1CCOC(C1)O 270004a_100000688207_100000210432 [0,0,0,1,0,1|0,0,2]=4 9814 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,0,0,1,0,1|1,0,0]=3 9815 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,0,0,1,0,1|1,0,0]=3 9816 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,0,0,1,0,1|1,0,0]=3 9817 B11R1.157 CC(C)OC1CCOC(C1)C 34a_100011986385_100000210206 [0,0,0,1,0,1|1,0,1]=4 9818 B11R1.157 CC(C)OC1CCOC(C1)C 7a_100011986385_100000210206 [0,0,0,1,0,1|1,0,1]=4 9819 B11R1.157 CC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000210206 [0,0,0,1,0,1|1,0,0]=3 9820 B11R1.157 CC(O)CN1CCNC(=O)C1 2230a_100000184651_100011218427 [0,0,0,1,0,1|2,0,0]=4 9821 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,0,0,1,0,1|1,0,0]=3 9822 B11R1.157 CC1=CCCN(C1)CC(C)C 2230a_100000725631_100000210760 [0,0,0,1,0,1|2,0,0]=4 9823 B11R1.157 CC1=CCCN(C1)CC(C)C 269982a_100000725631_100000210624 [0,0,0,1,0,1|2,0,0]=4 9824 B11R1.157 CC1=CCCN(C1)CC(C)C 270004a_100000725631_100000210432 [0,0,0,1,0,1|2,0,0]=4 9825 B11R1.157 CC1=CCCN(C1)CC(C)C 34a_100000725631_100000210624 [0,0,0,1,0,1|2,0,0]=4 9826 B11R1.157 C[C@@H](O)CN1CCNC(=O)C1 2230a_100000184651_100009817552 [0,0,0,1,0,1|2,0,0]=4 9827 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,0,0,1,0,1|1,0,0]=3 9828 B11R1.157 O=C1CN(CCO1)CC(F)F 2230a_100000131268_100011934356 [0,0,0,1,0,1|2,0,0]=4 9829 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,0,0,1,0,1|1,0,1]=4 9830 B11R1.172 CC(C)CNCC1=NCCN1 34a_100000210953_100000737910 [0,0,0,1,0,1|2,0,0]=4 9831 B11R1.172 CC(C)CNCC1CCCO1 2230a_100000210953_100000203698 [0,0,0,1,0,1|1,0,1]=4 9832 B11R1.172 CC(C)CNCC1OCCO1 2230a_100000036311_100000210760 [0,0,0,1,0,1|0,0,2]=4 9833 B11R1.172 CC(C)CNCC1OCCO1 2230a_100000210953_100000755774 [0,0,0,1,0,1|0,0,2]=4 9834 B11R1.172 CC(C)CNCC1OCCO1 270004a_100000036311_100000210432 [0,0,0,1,0,1|0,0,2]=4 9835 B11R1.172 CC(C)CNCC1OCCO1 34a_100000036311_100000210624 [0,0,0,1,0,1|0,0,2]=4 9836 B11R1.172 CC(C)CNCC1OCCO1 34a_100000210953_100000755774 [0,0,0,1,0,1|0,0,2]=4 9837 B11R1.172 CC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000210760 [0,0,0,1,0,1|1,0,1]=4 9838 B11R1.172 CC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000210432 [0,0,0,1,0,1|1,0,1]=4 9839 B11R1.172 CC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000210624 [0,0,0,1,0,1|1,0,1]=4 9840 B11R1.172 CC(C)COCC1=NCCN1 34a_100000210257_100000737910 [0,0,0,1,0,1|2,0,0]=4 9841 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [0,0,0,1,0,1|1,0,1]=4 9842 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [0,0,0,1,0,1|1,0,1]=4 9843 B11R1.172 CC(C)COCC1OCCO1 34a_100000087154_100000210624 [0,0,0,1,0,1|0,0,2]=4 9844 B11R1.172 CC(C)COCC1OCCO1 34a_100000210257_100000755774 [0,0,0,1,0,1|0,0,2]=4 9845 B11R1.172 CC(C)CSCC1=NCCN1 62a_100000210624_100000737910 [0,0,0,1,0,1|2,0,0]=4 9846 B11R1.172 CC(C)CSCC1=NCCN1 62a_100000737910_100000210760 [0,0,0,1,0,1|2,0,0]=4 9847 B11R1.172 CC(C)CSCC1CCCO1 62a_100000203698_100000210760 [0,0,0,1,0,1|1,0,1]=4 9848 B11R1.172 CC(C)CSCC1CCCO1 62a_100000210624_100000203698 [0,0,0,1,0,1|1,0,1]=4 9849 B11R1.172 CC(C)CSCC1OCCO1 62a_100000210624_100000755774 [0,0,0,1,0,1|0,0,2]=4 9850 B11R1.172 CC(C)CSCC1OCCO1 62a_100000755774_100000210760 [0,0,0,1,0,1|0,0,2]=4 9851 B11R1.172 CC(C)NCCC1OCCO1 2230a_100000034215_100000210206 [0,0,0,1,0,1|0,0,2]=4 9852 B11R1.172 CC(C)NCCC1OCCO1 2230a_100138425928_100000740749 [0,0,0,1,0,1|0,0,2]=4 9853 B11R1.172 CC(C)NCCC1OCCO1 34a_100000034215_100000210206 [0,0,0,1,0,1|0,0,2]=4 9854 B11R1.172 CC(C)NCCC1OCCO1 34a_100138425928_100000740749 [0,0,0,1,0,1|0,0,2]=4 9855 B11R1.172 CC(C)OCCC1OCCO1 34a_100000212225_100000740749 [0,0,0,1,0,1|0,0,2]=4 9856 B11R1.172 CC(C)SCCC1OCCO1 62a_100000210206_100000740749 [0,0,0,1,0,1|0,0,2]=4 9857 B11R1.201 C=COC(=O)CN1CC(C1)C 2230a_100000702820_100000036128 [0,0,0,1,0,1|0,0,2]=4 9858 B11R1.201 C=COC(=O)CN1CC(C1)C 269982a_100000702820_100000036128 [0,0,0,1,0,1|0,0,2]=4 9859 B11R1.201 C=COC(=O)CN1CC(C1)C 34a_100000702820_100000036128 [0,0,0,1,0,1|0,0,2]=4 9860 B11R1.201 CC1CN(C1)CC(=O)NCO 2230a_100000702820_100000185155 [0,0,0,1,0,1|2,0,0]=4 9861 B11R1.201 CC1CN(C1)CC(=O)NCO 269982a_100000702820_100000185155 [0,0,0,1,0,1|2,0,0]=4 9862 B11R1.201 CC1CN(C1)CC(=O)NCO 34a_100000702820_100000185155 [0,0,0,1,0,1|2,0,0]=4 9863 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,0,0,1,0,1|1,0,0]=3 9864 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,0,0,1,0,1|1,0,0]=3 9865 B11R1.201 CCCC(=O)CN1CC(C1)F 2230a_100000690557_100000747444 [0,0,0,1,0,1|2,0,0]=4 9866 B11R1.201 CCCC(=O)CN1CC(C1)F 269982a_100000690557_100000747444 [0,0,0,1,0,1|2,0,0]=4 9867 B11R1.201 CCCC(=O)CN1CC(C1)O 269982a_100000749847_100000747444 [0,0,0,1,0,1|2,0,0]=4 9868 B11R1.201 CCCC(=O)NC1CC(C1)F 11a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 9869 B11R1.201 CCCC(=O)NC1CC(C1)F 1626a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 9870 B11R1.201 CCCC(=O)NC1CC(C1)F 240690a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 9871 B11R1.201 CCCC(=O)NC1CC(C1)F 527a_100016993743_100000211992 [0,0,0,1,0,1|2,0,0]=4 9872 B11R1.201 CCCC(=O)NC1CN(C1)C 240690a_100015196640_100000211992 [0,0,0,1,0,1|2,0,0]=4 9873 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 9874 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 9875 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 9876 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,0,0,1,0,1|2,0,0]=4 9877 B11R1.201 CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183381 [0,0,0,1,0,1|1,0,0]=3 9878 B11R1.201 CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183381 [0,0,0,1,0,1|1,0,0]=3 9879 B11R1.201 CCNC(=O)CN1CC(C1)C 34a_100000702820_100000183381 [0,0,0,1,0,1|1,0,0]=3 9880 B11R1.201 CCNC(=O)CN1CC(C1)F 2230a_100000690557_100000183381 [0,0,0,1,0,1|2,0,0]=4 9881 B11R1.201 CCNC(=O)CN1CC(C1)F 269982a_100000690557_100000183381 [0,0,0,1,0,1|2,0,0]=4 9882 B11R1.201 CCNC(=O)CN1CC(C1)F 34a_100000690557_100000183381 [0,0,0,1,0,1|2,0,0]=4 9883 B11R1.201 CCNC(=O)CN1CC(C1)O 269982a_100000749847_100000183381 [0,0,0,1,0,1|2,0,0]=4 9884 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100015525214_100016993743 [0,0,0,1,0,1|2,0,0]=4 9885 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100016993743_100015525214 [0,0,0,1,0,1|2,0,0]=4 9886 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100015525214_100016993743 [0,0,0,1,0,1|2,0,0]=4 9887 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100016993743_100015525214 [0,0,0,1,0,1|2,0,0]=4 9888 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100015525214_100016993743 [0,0,0,1,0,1|2,0,0]=4 9889 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100016993743_100015525214 [0,0,0,1,0,1|2,0,0]=4 9890 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015196640_100015525214 [0,0,0,1,0,1|2,0,0]=4 9891 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015525214_100015196640 [0,0,0,1,0,1|2,0,0]=4 9892 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015196640_100015525214 [0,0,0,1,0,1|2,0,0]=4 9893 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015525214_100015196640 [0,0,0,1,0,1|2,0,0]=4 9894 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015196640_100015525214 [0,0,0,1,0,1|2,0,0]=4 9895 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015525214_100015196640 [0,0,0,1,0,1|2,0,0]=4 9896 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100015525214_100020629032 [0,0,0,1,0,1|2,0,0]=4 9897 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100015525214_100020629032 [0,0,0,1,0,1|2,0,0]=4 9898 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100015525214 [0,0,0,1,0,1|2,0,0]=4 9899 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100015525214_100020629032 [0,0,0,1,0,1|2,0,0]=4 9900 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100015525214 [0,0,0,1,0,1|2,0,0]=4 9901 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,0,0,1,0,1|0,0,0]=2 9902 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,0,0,1,0,1|0,0,0]=2 9903 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,0,0,1,0,1|0,0,0]=2 9904 B11R1.201 CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000188475 [0,0,0,1,0,1|1,0,0]=3 9905 B11R1.201 CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000188475 [0,0,0,1,0,1|1,0,0]=3 9906 B11R1.201 CCOC(=O)CN1CC(C1)F 34a_100000690557_100000188475 [0,0,0,1,0,1|1,0,0]=3 9907 B11R1.201 CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000188475 [0,0,0,1,0,1|1,0,0]=3 9908 B11R1.288 CCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747444 [0,0,0,1,0,1|2,0,0]=4 9909 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747444 [0,0,0,1,0,1|2,0,0]=4 9910 B11R1.288 CCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183381 [0,0,0,1,0,1|2,0,0]=4 9911 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183381 [0,0,0,1,0,1|2,0,0]=4 9912 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183381 [0,0,0,1,0,1|2,0,0]=4 9913 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,0,0,1,0,1|1,0,0]=3 9914 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,0,0,1,0,1|1,0,0]=3 9915 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,0,0,1,0,1|1,0,0]=3 9916 B11R1.290 C=COC(=O)CNCC1CC1 2230a_100000735609_100000036128 [0,0,0,1,0,1|0,0,2]=4 9917 B11R1.290 C=COC(=O)CNCC1CC1 34a_100000735609_100000036128 [0,0,0,1,0,1|0,0,2]=4 9918 B11R1.290 C=COC(=O)COCC1CC1 34a_100000211283_100000036128 [0,0,0,1,0,1|0,0,2]=4 9919 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000036128_100000742324 [0,0,0,1,0,1|0,0,2]=4 9920 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000756562_100000036128 [0,0,0,1,0,1|0,0,2]=4 9921 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [0,0,0,1,0,1|1,0,1]=4 9922 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [0,0,0,1,0,1|1,0,1]=4 9923 B11R1.290 CCCC(=O)CC#CC1CC1 1458a_100000211992_100009895102 [0,0,0,1,0,1|1,0,1]=4 9924 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,0,0,1,0,1|2,0,0]=4 9925 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,0,0,1,0,1|1,0,0]=3 9926 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,0,0,1,0,1|1,0,0]=3 9927 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,0,0,1,0,1|1,0,0]=3 9928 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,0,0,1,0,1|1,0,0]=3 9929 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,0,0,1,0,1|2,0,0]=4 9930 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,0,0,1,0,1|2,0,0]=4 9931 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000031435_100000747444 [0,0,0,1,0,1|2,0,0]=4 9932 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000747444_100000031435 [0,0,0,1,0,1|2,0,0]=4 9933 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,0,0,1,0,1|2,0,0]=4 9934 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,0,0,1,0,1|2,0,0]=4 9935 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,0,0,1,0,1|1,0,0]=3 9936 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,0,0,1,0,1|1,0,0]=3 9937 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,0,0,1,0,1|1,0,0]=3 9938 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,0,0,1,0,1|2,0,0]=4 9939 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,0,0,1,0,1|2,0,0]=4 9940 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [0,0,0,1,0,1|1,0,0]=3 9941 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [0,0,0,1,0,1|1,0,0]=3 9942 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [0,0,0,1,0,1|1,0,0]=3 9943 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [0,0,0,1,0,1|1,0,0]=3 9944 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [0,0,0,1,0,1|1,0,0]=3 9945 B11R1.290 CCNC(=O)CNCC1CO1 2230a_100016988866_100011216344 [0,0,0,1,0,1|2,0,0]=4 9946 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,0,0,1,0,1|1,0,0]=3 9947 B11R1.290 CCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183381 [0,0,0,1,0,1|2,0,0]=4 9948 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [0,0,0,1,0,1|1,0,0]=3 9949 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [0,0,0,1,0,1|1,0,0]=3 9950 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [0,0,0,1,0,1|1,0,0]=3 9951 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [0,0,0,1,0,1|1,0,0]=3 9952 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [0,0,0,1,0,1|1,0,0]=3 9953 B11R1.290 CCNC(=O)CSCC1CO1 62a_100000183381_102125554688 [0,0,0,1,0,1|2,0,0]=4 9954 B11R1.290 CCNC(=O)CSCC1CO1 62a_102125554688_100000183381 [0,0,0,1,0,1|2,0,0]=4 9955 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000031435_100000183381 [0,0,0,1,0,1|2,0,0]=4 9956 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000183381_100000031435 [0,0,0,1,0,1|2,0,0]=4 9957 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000183381_100000745022 [0,0,0,1,0,1|2,0,0]=4 9958 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183381 [0,0,0,1,0,1|2,0,0]=4 9959 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,0,0,1,0,1|1,0,0]=3 9960 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,0,0,1,0,1|1,0,0]=3 9961 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,0,0,1,0,1|1,0,0]=3 9962 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,0,0,1,0,1|1,0,0]=3 9963 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,0,0,1,0,1|1,0,0]=3 9964 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,0,0,1,0,1|1,0,0]=3 9965 B11R1.290 CCNC(=O)NNCC1CC1 273464a_100015525214_100000736359 [0,0,0,1,0,1|2,0,0]=4 9966 B11R1.290 CCNC(=O)NNCC1CC1 512a_100000736359_100015525214 [0,0,0,1,0,1|2,0,0]=4 9967 B11R1.290 CCNC(=O)NNCC1CC1 512a_100015525214_100000736359 [0,0,0,1,0,1|2,0,0]=4 9968 B11R1.290 CCOC(=O)C=NNC1CC1 4a_100000701032_100000742314 [0,0,0,1,0,1|1,0,1]=4 9969 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,0,0,1,0,1|0,0,0]=2 9970 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,0,0,1,0,1|0,0,0]=2 9971 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,0,0,1,0,1|0,0,0]=2 9972 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,0,0,1,0,1|0,0,0]=2 9973 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,0,0,1,0,1|0,0,0]=2 9974 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,0,0,1,0,1|1,0,0]=3 9975 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,0,0,1,0,1|0,0,0]=2 9976 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,0,0,1,0,1|0,0,0]=2 9977 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,0,0,1,0,1|1,0,0]=3 9978 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,0,0,1,0,1|1,0,0]=3 9979 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [0,0,0,1,0,1|1,0,0]=3 9980 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [0,0,0,1,0,1|1,0,0]=3 9981 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,0,0,1,0,1|1,0,0]=3 9982 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,0,0,1,0,1|1,0,0]=3 9983 B11R1.290 CNNC(=O)CSCC1CC1 22a_100016993582_200011316215 [0,0,0,1,0,1|2,0,0]=4 9984 B11R1.290 CNNC(=O)NCCC1CC1 273464a_100000764129_100016993582 [0,0,0,1,0,1|2,0,0]=4 9985 B11R1.290 CNNC(=O)NCCC1CC1 512a_100000764129_100016993582 [0,0,0,1,0,1|2,0,0]=4 9986 B11R1.290 CNNC(=O)NCCC1CC1 512a_100016993582_100000764129 [0,0,0,1,0,1|2,0,0]=4 9987 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,0,0,1,0,1|2,0,0]=4 9988 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,0,0,1,0,1|2,0,0]=4 9989 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,0,0,1,0,1|2,0,0]=4 9990 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,0,0,1,0,1|2,0,0]=4 9991 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,0,0,1,0,1|2,0,0]=4 9992 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,0,0,1,0,1|2,0,0]=4 9993 B11R1.290 O=C(CCF)CSCC1CC1 1458a_200011316215_100011217306 [0,0,0,1,0,1|2,0,0]=4 9994 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,0,0,1,0,1|2,0,0]=4 9995 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,0,0,1,0,1|2,0,0]=4 9996 B11R1.290 O=C(CNCC1CC1)NCO 2230a_100000735609_100000185155 [0,0,0,1,0,1|2,0,0]=4 9997 B11R1.290 O=C(CNCC1CC1)NCO 34a_100000735609_100000185155 [0,0,0,1,0,1|2,0,0]=4 9998 B11R1.290 O=C(COCC1CC1)NCO 34a_100000211283_100000185155 [0,0,0,1,0,1|2,0,0]=4 9999 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000185155_100000742324 [0,0,0,1,0,1|2,0,0]=4 10000 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000756562_100000185155 [0,0,0,1,0,1|2,0,0]=4 10001 B11R1.342 CCOC1CCCC(C1)(C)C 7a_100011995757_100000210202 [0,0,0,1,0,1|1,0,1]=4 10002 B11R1.342 CCOC1CCOC(C1)(C)C 34a_100000693217_100000210202 [0,0,0,1,0,1|1,0,1]=4 10003 B11R1.342 CCOC1CCOC(C1)(C)C 34a_100121572206_100010191092 [0,0,0,1,0,1|1,0,1]=4 10004 B11R1.342 CCOC1CCOC(C1)(C)C 7a_100000693217_100000210202 [0,0,0,1,0,1|1,0,1]=4 10005 B11R1.565 CC(C)N1CCNC(=O)CC1 2230a_100000698595_100000210206 [0,0,0,1,0,1|1,0,0]=3 10006 B11R1.565 CC(C)N1CCNC(=O)CC1 269982a_100000698595_100000210206 [0,0,0,1,0,1|1,0,0]=3 10007 B11R1.720 CC(=CCCC(=O)C1CC1)C 1458a_100000210395_100011217483 [0,0,0,1,0,1|1,0,1]=4 10008 B11R1.720 CC(Br)COCC(=O)C1CC1 34a_100012180447_100000746382 [0,0,0,1,0,1|2,0,0]=4 10009 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,0,0,1,0,1|1,0,0]=3 10010 B11R1.720 CC(C)CCCC(=O)C1CO1 1458a_100000701028_100011214892 [0,0,0,1,0,1|2,0,0]=4 10011 B11R1.720 CC(C)CCNC(=O)C1CC1 11a_100000210545_100000210395 [0,0,0,1,0,1|1,0,0]=3 10012 B11R1.720 CC(C)CCNC(=O)C1CC1 1626a_100000210545_100000210395 [0,0,0,1,0,1|1,0,0]=3 10013 B11R1.720 CC(C)CCNC(=O)C1CC1 240690a_100000210545_100000210395 [0,0,0,1,0,1|1,0,0]=3 10014 B11R1.720 CC(C)CCNC(=O)C1CC1 527a_100000210545_100000210395 [0,0,0,1,0,1|1,0,0]=3 10015 B11R1.720 CC(C)CCNC(=O)C1CO1 11a_100000210545_100000701028 [0,0,0,1,0,1|2,0,0]=4 10016 B11R1.720 CC(C)CCNC(=O)C1CO1 1626a_100000210545_100000701028 [0,0,0,1,0,1|2,0,0]=4 10017 B11R1.720 CC(C)CCNC(=O)C1CO1 240690a_100000210545_100000701028 [0,0,0,1,0,1|2,0,0]=4 10018 B11R1.720 CC(C)CCNC(=O)C1CO1 527a_100000210545_100000701028 [0,0,0,1,0,1|2,0,0]=4 10019 B11R1.720 CC(C)CNCC(=O)C1CC1 2230a_100000210953_100000746382 [0,0,0,1,0,1|1,0,0]=3 10020 B11R1.720 CC(C)CNCC(=O)C1CC1 34a_100000210953_100000746382 [0,0,0,1,0,1|1,0,0]=3 10021 B11R1.720 CC(C)CNNC(=O)C1CC1 22a_100000696102_100000210395 [0,0,0,1,0,1|2,0,0]=4 10022 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000210257_100000746382 [0,0,0,1,0,1|1,0,0]=3 10023 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000686663_100000210624 [0,0,0,1,0,1|1,0,0]=3 10024 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000210624_100000746382 [0,0,0,1,0,1|1,0,0]=3 10025 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000746382_100000210760 [0,0,0,1,0,1|1,0,0]=3 10026 B11R1.720 CC(C)NCOC(=O)C1CC1 2230a_100138425928_100000140896 [0,0,0,1,0,1|2,0,0]=4 10027 B11R1.720 CC(C)NCOC(=O)C1CC1 34a_100138425928_100000140896 [0,0,0,1,0,1|2,0,0]=4 10028 B11R1.720 CC(C)OCCC(=O)C1CC1 1458a_100000210395_100000211751 [0,0,0,1,0,1|1,0,0]=3 10029 B11R1.720 CC(C)OCCC(=O)C1CO1 1458a_100000701028_100000211751 [0,0,0,1,0,1|2,0,0]=4 10030 B11R1.720 CC(C)OCOC(=O)C1CC1 34a_100000212225_100000140896 [0,0,0,1,0,1|2,0,0]=4 10031 B11R1.720 CC(C)SCCC(=O)C1CC1 1458a_100000210395_100000730970 [0,0,0,1,0,1|1,0,0]=3 10032 B11R1.720 CC(C)SCCC(=O)C1CO1 1458a_100000701028_100000730970 [0,0,0,1,0,1|2,0,0]=4 10033 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000140896_100000210206 [0,0,0,1,0,1|2,0,0]=4 10034 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000210206_100000140896 [0,0,0,1,0,1|2,0,0]=4 10035 B11R1.720 CC(F)COCC(=O)C1CC1 34a_100015925927_100000746382 [0,0,0,1,0,1|2,0,0]=4 10036 B11R1.720 CC(O)CCCC(=O)C1CC1 1458a_100000210395_200000718107 [0,0,0,1,0,1|2,0,0]=4 10037 B11R1.720 CC(O)CCNC(=O)C1CC1 240690a_200000755665_100000210395 [0,0,0,1,0,1|2,0,0]=4 10038 B11R1.720 CC(O)CCNC(=O)C1CC1 527a_200000755665_100000210395 [0,0,0,1,0,1|2,0,0]=4 10039 B11R1.720 CC(O)CNCC(=O)C1CC1 2230a_100000210904_100000746382 [0,0,0,1,0,1|2,0,0]=4 10040 B11R1.720 CC(O)CNCC(=O)C1CC1 34a_100000210904_100000746382 [0,0,0,1,0,1|2,0,0]=4 10041 B11R1.720 CC(O)COCC(=O)C1CC1 34a_100000686663_100011218427 [0,0,0,1,0,1|2,0,0]=4 10042 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100000746382_100011218427 [0,0,0,1,0,1|2,0,0]=4 10043 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100011218427_100000746382 [0,0,0,1,0,1|2,0,0]=4 10044 B11R1.720 CN(C)CCCC(=O)C1CC1 1458a_100000210395_100000695564 [0,0,0,1,0,1|2,0,0]=4 10045 B11R1.720 CN(C)CCNC(=O)C1CC1 240690a_100000210585_100000210395 [0,0,0,1,0,1|2,0,0]=4 10046 B11R1.720 CN(C)CCNC(=O)C1CC1 527a_100000210585_100000210395 [0,0,0,1,0,1|2,0,0]=4 10047 B11R1.720 C[C@@H](Cl)COCC(=O)C1CC1 34a_100016084084_100000746382 [0,0,0,1,0,1|2,0,0]=4 10048 B11R1.720 C[C@@H](N)COCC(=O)C1CC1 34a_100000737577_100000746382 [0,0,0,1,0,1|2,0,0]=4 10049 B11R1.720 C[C@@H](O)COCC(=O)C1CC1 34a_100000686663_100009817552 [0,0,0,1,0,1|2,0,0]=4 10050 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100000746382_100009817552 [0,0,0,1,0,1|2,0,0]=4 10051 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100009817552_100000746382 [0,0,0,1,0,1|2,0,0]=4 10052 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,0,0,1,0,1|1,0,1]=4 10053 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,0,0,1,0,1|1,0,1]=4 10054 B11R1.89 CC(C)C(=O)C1CCCC1=O 1458a_100000210198_100000211823 [0,1,0,1,0,0|1,0,1]=4 10055 B11R1.89 CC(C)C(=O)C1CCOC1=O 1458a_100000210198_100000211211 [0,1,0,1,0,0|0,0,1]=3 10056 B11R1.89 CC(C)N(C)C1CCCC1=O 269982a_200000211004_100000211823 [0,1,0,1,0,0|2,0,0]=4 10057 B11R1.89 CC(C)N(C)C1CCOC1=O 269982a_200000211004_100000211211 [0,1,0,1,0,0|1,0,0]=3 10058 B11R1.89 CC(F)C(=O)C1CCOC1=O 1458a_100000062450_100000211211 [0,1,0,1,0,0|1,0,1]=4 10059 B11R1.89 C[C@@H](O)C(=O)C1CCOC1=O 1458a_100000717761_100000211211 [0,1,0,1,0,0|1,0,1]=4 10060 B11R1.89 C[C@H](O)C(=O)C1CCOC1=O 1458a_217856618621_100000211211 [0,1,0,1,0,0|1,0,1]=4 10061 B11R1.192 CCOC1CCC(C(C1)C)C 34a_100011215933_100000210202 [0,1,0,1,0,0|1,0,1]=4 10062 B11R1.192 CCOC1CCC(C(C1)C)C 7a_100011215933_100000210202 [0,1,0,1,0,0|1,0,1]=4 10063 B11R1.277 CCN1C[C@@H](N(CC1=O)C)C 2230a_100121572426_200000210301 [0,1,0,1,0,0|2,0,0]=4 10064 B11R1.277 CCN1C[C@@H](N(CC1=O)C)C 269982a_100121572426_200000210301 [0,1,0,1,0,0|2,0,0]=4 10065 B11R1.277 CCN1C[C@@H](N(CC1=O)C)C 34a_100121572426_200000210301 [0,1,0,1,0,0|2,0,0]=4 10066 B11R1.277 CCN1C[C@@H](N(CC1=O)[13CH3])C 2230a_100121572426_200025704644 [0,1,0,1,0,0|2,0,0]=4 10067 B11R1.277 CCN1C[C@@H](N(CC1=O)[13CH3])C 269982a_100121572426_200025704644 [0,1,0,1,0,0|2,0,0]=4 10068 B11R1.277 CCN1C[C@@H](N(CC1=O)[13CH3])C 34a_100121572426_200025704644 [0,1,0,1,0,0|2,0,0]=4 10069 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,1,0,1,0,0|2,0,0]=4 10070 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [0,1,0,1,0,0|2,0,0]=4 10071 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [0,1,0,1,0,0|2,0,0]=4 10072 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,1,0,1,0,0|1,0,0]=3 10073 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,1,0,1,0,0|1,0,0]=3 10074 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,1,0,1,0,0|1,0,1]=4 10075 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,1,0,1,0,0|1,0,1]=4 10076 B11R1.334 CCCC(=O)CN(C)C1CC1 2230a_100000226674_100000747444 [0,1,0,1,0,0|2,0,0]=4 10077 B11R1.334 CCCC(=O)CN(C)C1CC1 269982a_100000226674_100000747444 [0,1,0,1,0,0|2,0,0]=4 10078 B11R1.334 CCCC(=O)NC(C)C1CC1 11a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 10079 B11R1.334 CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 10080 B11R1.334 CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 10081 B11R1.334 CCCC(=O)NC(C)C1CC1 527a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 10082 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,1,0,1,0,0|1,0,1]=4 10083 B11R1.334 CCNC(=O)CN(C)C1CC1 2230a_100000226674_100000183381 [0,1,0,1,0,0|2,0,0]=4 10084 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000226674_100000183381 [0,1,0,1,0,0|2,0,0]=4 10085 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000741943_100000211595 [0,1,0,1,0,0|2,0,0]=4 10086 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 10087 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 10088 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 10089 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 10090 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 10091 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 10092 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,1,0,1,0,0|0,0,1]=3 10093 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,1,0,1,0,0|1,0,1]=4 10094 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,1,0,1,0,0|1,0,0]=3 10095 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,1,0,1,0,0|1,0,0]=3 10096 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,1,0,1,0,0|1,0,0]=3 10097 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,1,0,1,0,0|1,0,0]=3 10098 B11R1.497 CC(C)N1CCCNC(=O)C1 2230a_100015190381_100000210206 [0,1,0,1,0,0|2,0,0]=4 10099 B11R1.718 CC(C)C(=O)CC(=O)C1CC1 1458a_100000210198_100000746382 [0,1,0,1,0,0|1,0,1]=4 10100 B11R1.718 CC(C)C(=O)CC(=O)C1CC1 1458a_100000210395_100000753385 [0,1,0,1,0,0|1,0,1]=4 10101 B11R1.718 CC(C)C(C)NC(=O)C1CC1 11a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 10102 B11R1.718 CC(C)C(C)NC(=O)C1CC1 1626a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 10103 B11R1.718 CC(C)C(C)NC(=O)C1CC1 240690a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 10104 B11R1.718 CC(C)C(C)NC(=O)C1CC1 527a_100000211541_100000210395 [0,1,0,1,0,0|2,0,0]=4 10105 B11R1.718 CC(C)N(C)CC(=O)C1CC1 269982a_200000211004_100000746382 [0,1,0,1,0,0|2,0,0]=4 10106 B11R1.75 Cc1nc(no1)CCC(C)C 270196a_100000741222_100000070787 [0,1,0,1,0,0|1,0,1]=4 10107 B11R1.75 Cc1noc(n1)CCC(C)C 270196a_100000212224_100000181311 [0,1,0,1,0,0|1,0,1]=4 10108 B11R1.81 CCOC1CCC(CC1C)C 34a_100011539931_100000210202 [0,1,0,1,0,0|1,0,1]=4 10109 B11R1.81 CCOC1CCC(CC1C)C 7a_100011539931_100000210202 [0,1,0,1,0,0|1,0,1]=4 10110 B11R1.82 CCOC1CCC(CC1)(C)C 34a_100000703974_100000210202 [0,1,0,1,0,0|1,0,1]=4 10111 B11R1.82 CCOC1CCC(CC1)(C)C 7a_100000703974_100000210202 [0,1,0,1,0,0|1,0,1]=4 10112 B11R1.91 CC(C)CCN1CCCOC1 2230a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 10113 B11R1.91 CC(C)CCN1CCCOC1 269982a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 10114 B11R1.91 CC(C)CCN1CCCOC1 34a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 10115 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,1,0,1,0,0|2,0,0]=4 10116 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100000747585_100000210206 [0,1,0,1,0,0|2,0,0]=4 10117 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100138425928_100000687798 [0,1,0,1,0,0|2,0,0]=4 10118 B11R1.86 CC(C)NC1CCCNC1=O 34a_100000747585_100000210206 [0,1,0,1,0,0|2,0,0]=4 10119 B11R1.86 CC(C)NC1CCCNC1=O 34a_100138425928_100000687798 [0,1,0,1,0,0|2,0,0]=4 10120 B11R1.86 CC(C)NC1COCCC1=O 34a_100138425928_100012180262 [0,1,0,1,0,0|2,0,0]=4 10121 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,1,0,1,0,0|2,0,0]=4 10122 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,1,0,1,0,0|2,0,0]=4 10123 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000073722_100000210206 [0,1,0,1,0,0|2,0,0]=4 10124 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000212225_100000687798 [0,1,0,1,0,0|2,0,0]=4 10125 B11R1.86 CC(C)OC1COCCC1=O 34a_100000212225_100012180262 [0,1,0,1,0,0|2,0,0]=4 10126 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,1,0,1,0,0|2,0,0]=4 10127 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,1,0,1,0,0|2,0,0]=4 10128 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000210206_100000687798 [0,1,0,1,0,0|2,0,0]=4 10129 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000687798_100000210206 [0,1,0,1,0,0|2,0,0]=4 10130 B11R1.86 CC(C)SC1COCCC1=O 62a_100000210206_100012180262 [0,1,0,1,0,0|2,0,0]=4 10131 B11R1.86 CC(C)SC1COCCC1=O 62a_100012180262_100000210206 [0,1,0,1,0,0|2,0,0]=4 10132 B11R1.152 C=C(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000748629 [0,1,0,1,0,0|1,0,1]=4 10133 B11R1.152 CC(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000210624 [0,1,0,1,0,0|1,0,0]=3 10134 B11R1.152 CC(C)CC(=O)C1CC(C1)F 1458a_100000062598_100000210624 [0,1,0,1,0,0|2,0,0]=4 10135 B11R1.152 CC(C)CC(=O)C1CN(C1)C 1458a_100012002723_100000210624 [0,1,0,1,0,0|2,0,0]=4 10136 B11R1.152 CC(C)CC(=O)N1CC(C1)C 11a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 10137 B11R1.152 CC(C)CC(=O)N1CC(C1)C 240690a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 10138 B11R1.152 CC(C)CC(=O)N1CC(C1)C 527a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 10139 B11R1.152 CC(C)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210624 [0,1,0,1,0,0|2,0,0]=4 10140 B11R1.152 CC(C)NC(=O)C1CC(C1)F 11a_100138425928_100000062598 [0,1,0,1,0,0|2,0,0]=4 10141 B11R1.152 CC(C)NC(=O)C1CC(C1)F 1626a_100138425928_100000062598 [0,1,0,1,0,0|2,0,0]=4 10142 B11R1.152 CC(C)NC(=O)C1CC(C1)F 240690a_100138425928_100000062598 [0,1,0,1,0,0|2,0,0]=4 10143 B11R1.152 CC(C)NC(=O)C1CC(C1)F 527a_100138425928_100000062598 [0,1,0,1,0,0|2,0,0]=4 10144 B11R1.152 CC(C)NC(=O)C1CN(C1)C 240690a_100138425928_100012002723 [0,1,0,1,0,0|2,0,0]=4 10145 B11R1.152 CC(C)NC(=O)[C@H]1C[C@H](C1)O 240690a_100138425928_100015266633 [0,1,0,1,0,0|2,0,0]=4 10146 B11R1.152 CC(C)NC(=O)[C@H]1C[C@H](C1)O 527a_100138425928_100015266633 [0,1,0,1,0,0|2,0,0]=4 10147 B11R1.152 CC(O)CC(=O)C1CC(C1)C 1458a_100000686124_100011218427 [0,1,0,1,0,0|1,0,0]=3 10148 B11R1.152 CC(O)CC(=O)C1CC(C1)F 1458a_100000062598_100011218427 [0,1,0,1,0,0|2,0,0]=4 10149 B11R1.152 CC(O)CC(=O)C1CN(C1)C 1458a_100012002723_100011218427 [0,1,0,1,0,0|2,0,0]=4 10150 B11R1.152 CC(O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011218427 [0,1,0,1,0,0|2,0,0]=4 10151 B11R1.152 CC1CC(C1)C(=O)CC(F)F 1458a_100000686124_100011934356 [0,1,0,1,0,0|2,0,0]=4 10152 B11R1.152 CC1CC(C1)C(=O)NC(C)C 11a_100138425928_100000686124 [0,1,0,1,0,0|1,0,0]=3 10153 B11R1.152 CC1CC(C1)C(=O)NC(C)C 1626a_100138425928_100000686124 [0,1,0,1,0,0|1,0,0]=3 10154 B11R1.152 CC1CC(C1)C(=O)NC(C)C 240690a_100138425928_100000686124 [0,1,0,1,0,0|1,0,0]=3 10155 B11R1.152 CC1CC(C1)C(=O)NC(C)C 527a_100138425928_100000686124 [0,1,0,1,0,0|1,0,0]=3 10156 B11R1.152 CC1CN(C1)C(=O)C[C@@H](C)O 240690a_100000702820_100011933948 [0,1,0,1,0,0|2,0,0]=4 10157 B11R1.152 CC1CN(C1)C(=O)NC(C)C 2708a_100138425928_100000702820 [0,1,0,1,0,0|2,0,0]=4 10158 B11R1.152 CC1CN(C1)C(=O)NC(C)C 273464a_100138425928_100000702820 [0,1,0,1,0,0|2,0,0]=4 10159 B11R1.159 CC(C)N1CCNC(=O)C1C 2230a_100000750721_100000210206 [0,1,0,1,0,0|2,0,0]=4 10160 B11R1.159 CC(C)N1CCNC(=O)C1C 269982a_100000750721_100000210206 [0,1,0,1,0,0|2,0,0]=4 10161 B11R1.159 CC(C)N1CCNC(=O)C1C 34a_100000750721_100000210206 [0,1,0,1,0,0|2,0,0]=4 10162 B11R1.351 CCCC(=O)N(C)CC1CC1 11a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 10163 B11R1.351 CCCC(=O)N(C)CC1CC1 1626a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 10164 B11R1.351 CCCC(=O)N(C)CC1CC1 240690a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 10165 B11R1.351 CCCC(=O)N(C)CC1CC1 527a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 10166 B11R1.351 CCNC(=O)C(=O)CC1CC1 1458a_200011297158_100000742324 [0,1,0,1,0,0|1,0,1]=4 10167 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000212008_100000230173 [0,1,0,1,0,0|2,0,0]=4 10168 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000736553_100000211595 [0,1,0,1,0,0|2,0,0]=4 10169 B11R1.351 CCNC(=O)C(C)SC1CC1 62a_100000230173_100000211595 [0,1,0,1,0,0|2,0,0]=4 10170 B11R1.351 CCNC(=O)N(C)CC1CC1 2708a_100015525214_100000741881 [0,1,0,1,0,0|2,0,0]=4 10171 B11R1.351 CCNC(=O)N(C)CC1CC1 273464a_100015525214_100000741881 [0,1,0,1,0,0|2,0,0]=4 10172 B11R1.351 CCOC(=O)C(=O)NC1CC1 1626a_100000212008_100014798877 [0,1,0,1,0,0|1,0,1]=4 10173 B11R1.351 CCOC(=O)C(=O)NC1CC1 240690a_100000212008_100014798877 [0,1,0,1,0,0|1,0,1]=4 10174 B11R1.351 CCOC(=O)C(C)NC1CC1 34a_100000212008_100011216346 [0,1,0,1,0,0|1,0,0]=3 10175 B11R1.351 CCOC(=O)C(C)SC1CC1 62a_100011216346_100000211595 [0,1,0,1,0,0|1,0,0]=3 10176 B11R1.351 CCOC(=O)C(F)NC1CC1 34a_100000212008_100000760018 [0,1,0,1,0,0|1,0,0]=3 10177 B11R1.351 CCOC(=O)C(F)SC1CC1 62a_100000760018_100000211595 [0,1,0,1,0,0|1,0,0]=3 10178 B11R1.719 CC(C)CC(C)C(=O)C1CC1 1458a_100000210395_100000731052 [0,1,0,1,0,0|1,0,0]=3 10179 B11R1.719 CC(C)CC(C)C(=O)C1CO1 1458a_100000701028_100000731052 [0,1,0,1,0,0|2,0,0]=4 10180 B11R1.719 CC(C)CN(C)C(=O)C1CC1 11a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 10181 B11R1.719 CC(C)CN(C)C(=O)C1CC1 1626a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 10182 B11R1.719 CC(C)CN(C)C(=O)C1CC1 240690a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 10183 B11R1.719 CC(C)CN(C)C(=O)C1CC1 527a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 10184 B11R1.821 CC1(CC(C1)C(=O)CCF)C 1458a_100000695498_100011217306 [0,1,0,1,0,0|2,0,0]=4 10185 B11R1.821 CC1(CC(C1)C(=O)CCO)C 1458a_100000695498_100000211926 [0,1,0,1,0,0|2,0,0]=4 10186 B11R1.821 CCCC(=O)C1CC(C1)(C)C 1458a_100000695498_100000210303 [0,1,0,1,0,0|1,0,0]=3 10187 B11R1.821 CCCC(=O)C1CC(C1)(F)F 1458a_100000030993_100000210303 [0,1,0,1,0,0|2,0,0]=4 10188 B11R1.821 CCCC(=O)C1CC(C1)(F)F 1458a_100000211992_100010741680 [0,1,0,1,0,0|2,0,0]=4 10189 B11R1.821 CCCC(=O)N1CC(C1)(C)C 11a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 10190 B11R1.821 CCCC(=O)N1CC(C1)(C)C 1626a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 10191 B11R1.821 CCCC(=O)N1CC(C1)(C)C 240690a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 10192 B11R1.821 CCCC(=O)N1CC(C1)(C)C 527a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 10193 B11R1.821 CCCC(=O)N1CC(C1)(C)F 11a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 10194 B11R1.821 CCCC(=O)N1CC(C1)(C)F 1626a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 10195 B11R1.821 CCCC(=O)N1CC(C1)(C)F 240690a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 10196 B11R1.821 CCCC(=O)N1CC(C1)(C)F 527a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 10197 B11R1.821 CCCC(=O)N1CC(C1)(C)O 11a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 10198 B11R1.821 CCCC(=O)N1CC(C1)(C)O 240690a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 10199 B11R1.821 CCCC(=O)N1CC(C1)(C)O 527a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 10200 B11R1.821 CCCC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_100000210303 [0,1,0,1,0,0|1,0,0]=3 10201 B11R1.821 CCNC(=O)C1CC(C1)(C)C 11a_100015525214_100000695498 [0,1,0,1,0,0|1,0,0]=3 10202 B11R1.821 CCNC(=O)C1CC(C1)(C)C 240690a_100015525214_100000695498 [0,1,0,1,0,0|1,0,0]=3 10203 B11R1.821 CCNC(=O)C1CC(C1)(C)C 527a_100015525214_100000695498 [0,1,0,1,0,0|1,0,0]=3 10204 B11R1.821 CCNC(=O)C1CC(C1)(F)F 11a_100015525214_100000030993 [0,1,0,1,0,0|2,0,0]=4 10205 B11R1.821 CCNC(=O)C1CC(C1)(F)F 240690a_100015525214_100000030993 [0,1,0,1,0,0|2,0,0]=4 10206 B11R1.821 CCNC(=O)C1CC(C1)(F)F 527a_100015525214_100000030993 [0,1,0,1,0,0|2,0,0]=4 10207 B11R1.821 CCNC(=O)N1CC(C1)(C)C 2708a_100015525214_100000753659 [0,1,0,1,0,0|2,0,0]=4 10208 B11R1.821 CCNC(=O)N1CC(C1)(C)C 273464a_100015525214_100000753659 [0,1,0,1,0,0|2,0,0]=4 10209 B11R1.821 CCNC(=O)N1CC(C1)(C)F 2708a_100015525214_100000696199 [0,1,0,1,0,0|2,0,0]=4 10210 B11R1.821 CCNC(=O)N1CC(C1)(C)F 273464a_100015525214_100000696199 [0,1,0,1,0,0|2,0,0]=4 10211 B11R1.821 CCNC(=O)N1CC(C1)(C)O 2708a_100015525214_100000718560 [0,1,0,1,0,0|2,0,0]=4 10212 B11R1.821 CCNC(=O)N1CC(C1)(C)O 273464a_100015525214_100000718560 [0,1,0,1,0,0|2,0,0]=4 10213 B11R1.821 CCNC(=O)[C@H]1C[C@@](C1)(C)O 240690a_100015525214_100010742821 [0,1,0,1,0,0|1,0,0]=3 10214 B11R1.821 CCNC(=O)[C@H]1C[C@@](C1)(C)O 527a_100015525214_100010742821 [0,1,0,1,0,0|1,0,0]=3 10215 B11R1.821 CNNC(=O)C1CC(C1)(C)C 22a_100016993582_100000695498 [0,1,0,1,0,0|2,0,0]=4 10216 B11R1.821 CNNC(=O)[C@H]1C[C@@](C1)(C)O 22a_100016993582_100010742821 [0,1,0,1,0,0|2,0,0]=4 10217 B11R1.821 C[C@@]1(C[C@H](C1)C(=O)CCF)O 1458a_100010742821_100011217306 [0,1,0,1,0,0|2,0,0]=4 10218 B11R1.821 C[C@@]1(C[C@H](C1)C(=O)CCO)O 1458a_100010742821_100000211926 [0,1,0,1,0,0|2,0,0]=4 10219 B11R1.21 CC(C)N1CCN(C(=O)C1)C 2230a_100000187256_100000210206 [0,1,0,1,0,0|2,0,0]=4 10220 B11R1.21 CC(C)N1CCN(C(=O)C1)C 269982a_100000187256_100000210206 [0,1,0,1,0,0|2,0,0]=4 10221 B11R1.103 CC(C)CCC(=O)C1CC1C 1458a_100000211227_100000210312 [0,1,0,1,0,0|1,0,0]=3 10222 B11R1.103 CC(C)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210312 [0,1,0,1,0,0|1,0,0]=3 10223 B11R1.103 CC(C)CNC(=O)C1CC1C 11a_100000210953_100000211227 [0,1,0,1,0,0|2,0,0]=4 10224 B11R1.103 CC(C)CNC(=O)C1CC1C 1626a_100000210953_100000211227 [0,1,0,1,0,0|2,0,0]=4 10225 B11R1.103 CC(C)CNC(=O)C1CC1C 527a_100000210953_100000211227 [0,1,0,1,0,0|2,0,0]=4 10226 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 11a_100000210953_100015396687 [0,1,0,1,0,0|2,0,0]=4 10227 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210953_100015396687 [0,1,0,1,0,0|2,0,0]=4 10228 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@@H]1F 527a_100000210953_100015396687 [0,1,0,1,0,0|2,0,0]=4 10229 B11R1.103 CC(O)CCC(=O)C1CC1C 1458a_100000211227_100012276601 [0,1,0,1,0,0|2,0,0]=4 10230 B11R1.103 CC(O)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100012276601 [0,1,0,1,0,0|2,0,0]=4 10231 B11R1.294 C/C=C(\C)/C(=O)CCC1CC1 1458a_100020587367_100000694398 [0,1,0,1,0,0|1,0,1]=4 10232 B11R1.294 CCC(C)C(=O)CCC1CC1 1458a_100000756386_100000758301 [0,1,0,1,0,0|1,0,0]=3 10233 B11R1.294 CCC(C)C(=O)CCC1CC1 1458a_100011192722_100000694398 [0,1,0,1,0,0|1,0,0]=3 10234 B11R1.294 CCC(C)C(=O)CCC1CO1 1458a_100011192722_100000732470 [0,1,0,1,0,0|2,0,0]=4 10235 B11R1.294 CCC(C)C(=O)NCC1CC1 11a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 10236 B11R1.294 CCC(C)C(=O)NCC1CC1 1626a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 10237 B11R1.294 CCC(C)C(=O)NCC1CC1 240690a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 10238 B11R1.294 CCC(C)C(=O)NCC1CC1 527a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 10239 B11R1.294 CCC(O)C(=O)CCC1CC1 1458a_100011196387_100000694398 [0,1,0,1,0,0|1,0,0]=3 10240 B11R1.294 CCC(O)C(=O)CCC1CO1 1458a_100011196387_100000732470 [0,1,0,1,0,0|2,0,0]=4 10241 B11R1.294 CCC(O)C(=O)NCC1CC1 240690a_100000735609_100011196387 [0,1,0,1,0,0|2,0,0]=4 10242 B11R1.294 CCN(C)C(=O)CCC1CC1 11a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 10243 B11R1.294 CCN(C)C(=O)CCC1CC1 1626a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 10244 B11R1.294 CCN(C)C(=O)CCC1CC1 240690a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 10245 B11R1.294 CCN(C)C(=O)CCC1CC1 527a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 10246 B11R1.294 CCN(C)C(=O)CNC1CC1 34a_100000212008_100000738999 [0,1,0,1,0,0|2,0,0]=4 10247 B11R1.294 CCN(C)C(=O)CSC1CC1 62a_100000738999_100000211595 [0,1,0,1,0,0|2,0,0]=4 10248 B11R1.294 CCN(C)C(=O)NCC1CC1 2708a_100000735609_100000225621 [0,1,0,1,0,0|2,0,0]=4 10249 B11R1.294 CCN(C)C(=O)NCC1CC1 273464a_100000735609_100000225621 [0,1,0,1,0,0|2,0,0]=4 10250 B11R1.294 CNC(=O)C(=O)CCC1CC1 1458a_100011218921_100000694398 [0,1,0,1,0,0|2,0,0]=4 10251 B11R1.294 COC(C)C(=O)CCC1CC1 1458a_100000743197_100000694398 [0,1,0,1,0,0|2,0,0]=4 10252 B11R1.294 CSC(C)C(=O)CCC1CC1 1458a_100000149566_100000694398 [0,1,0,1,0,0|2,0,0]=4 10253 B11R1.294 O=C(CCC1CC1)C(O)CO 1458a_100011215603_100000694398 [0,1,0,1,0,0|2,0,0]=4 10254 B11R1.296 CCC(C)C(=O)C1CC(C1)C 1458a_100000686124_100000758301 [0,1,0,1,0,0|1,0,0]=3 10255 B11R1.296 CCC(C)C(=O)C1CC(C1)F 1458a_100000062598_100000758301 [0,1,0,1,0,0|2,0,0]=4 10256 B11R1.296 CCC(C)C(=O)C1CN(C1)C 1458a_100012002723_100000758301 [0,1,0,1,0,0|2,0,0]=4 10257 B11R1.296 CCC(C)C(=O)N1CC(C1)C 11a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 10258 B11R1.296 CCC(C)C(=O)N1CC(C1)C 240690a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 10259 B11R1.296 CCC(C)C(=O)N1CC(C1)C 527a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 10260 B11R1.296 CCC(C)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000758301 [0,1,0,1,0,0|2,0,0]=4 10261 B11R1.296 CCC(O)C(=O)N1CC(C1)C 240690a_100000702820_100011196387 [0,1,0,1,0,0|2,0,0]=4 10262 B11R1.296 CCN(C)C(=O)C1CC(C1)C 11a_100000225621_100000686124 [0,1,0,1,0,0|1,0,0]=3 10263 B11R1.296 CCN(C)C(=O)C1CC(C1)C 1626a_100000225621_100000686124 [0,1,0,1,0,0|1,0,0]=3 10264 B11R1.296 CCN(C)C(=O)C1CC(C1)C 240690a_100000225621_100000686124 [0,1,0,1,0,0|1,0,0]=3 10265 B11R1.296 CCN(C)C(=O)C1CC(C1)C 527a_100000225621_100000686124 [0,1,0,1,0,0|1,0,0]=3 10266 B11R1.296 CCN(C)C(=O)C1CC(C1)F 11a_100000225621_100000062598 [0,1,0,1,0,0|2,0,0]=4 10267 B11R1.296 CCN(C)C(=O)C1CC(C1)F 1626a_100000225621_100000062598 [0,1,0,1,0,0|2,0,0]=4 10268 B11R1.296 CCN(C)C(=O)C1CC(C1)F 240690a_100000225621_100000062598 [0,1,0,1,0,0|2,0,0]=4 10269 B11R1.296 CCN(C)C(=O)C1CC(C1)F 527a_100000225621_100000062598 [0,1,0,1,0,0|2,0,0]=4 10270 B11R1.296 CCN(C)C(=O)C1CN(C1)C 240690a_100000225621_100012002723 [0,1,0,1,0,0|2,0,0]=4 10271 B11R1.296 CCN(C)C(=O)[C@H]1C[C@H](C1)O 240690a_100000225621_100015266633 [0,1,0,1,0,0|2,0,0]=4 10272 B11R1.296 CCN(C)C(=O)[C@H]1C[C@H](C1)O 527a_100000225621_100015266633 [0,1,0,1,0,0|2,0,0]=4 10273 B11R1.313 CC(C)NC1CCN(C1=O)C 2230a_100138425928_100000755940 [0,1,0,1,0,0|2,0,0]=4 10274 B11R1.313 CC(C)NC1CCN(C1=O)C 34a_100138425928_100000755940 [0,1,0,1,0,0|2,0,0]=4 10275 B11R1.313 CC(C)OC1CCN(C1=O)C 34a_100000212225_100000755940 [0,1,0,1,0,0|2,0,0]=4 10276 B11R1.313 CC(C)SC1CCN(C1=O)C 62a_100000210206_100000755940 [0,1,0,1,0,0|2,0,0]=4 10277 B11R1.313 CC(C)SC1CCN(C1=O)C 62a_100000755940_100000210206 [0,1,0,1,0,0|2,0,0]=4 10278 B11R1.346 C=C(C)CCC(=O)C1CCO1 1458a_100000089072_100000730704 [0,1,0,1,0,0|0,0,2]=4 10279 B11R1.346 CC(=CCC(=O)C1CCO1)C 1458a_100000089072_100000761012 [0,1,0,1,0,0|0,0,2]=4 10280 B11R1.346 CC(C)CCC(=O)C1CCC1 1458a_100000181311_100000749161 [0,1,0,1,0,0|1,0,0]=3 10281 B11R1.346 CC(C)CCC(=O)C1CCC1 1458a_100000209988_100000210312 [0,1,0,1,0,0|1,0,0]=3 10282 B11R1.346 CC(C)CCC(=O)C1CCO1 1458a_100000089072_100000210312 [0,1,0,1,0,0|0,0,0]=2 10283 B11R1.346 CC(C)CCC(=O)C1COC1 1458a_100000181311_100000687716 [0,1,0,1,0,0|1,0,0]=3 10284 B11R1.346 CC(C)CCC(=O)C1COC1 1458a_100000758290_100000210312 [0,1,0,1,0,0|1,0,0]=3 10285 B11R1.346 CC(C)CCC(=O)N1CCC1 11a_100000754969_100000181311 [0,1,0,1,0,0|1,0,0]=3 10286 B11R1.346 CC(C)CCC(=O)N1CCC1 240690a_100000754969_100000181311 [0,1,0,1,0,0|1,0,0]=3 10287 B11R1.346 CC(C)CCC(=O)N1CCC1 527a_100000754969_100000181311 [0,1,0,1,0,0|1,0,0]=3 10288 B11R1.346 CC(C)CNC(=O)C1CCC1 11a_100000210953_100000209988 [0,1,0,1,0,0|2,0,0]=4 10289 B11R1.346 CC(C)CNC(=O)C1CCC1 1626a_100000210953_100000209988 [0,1,0,1,0,0|2,0,0]=4 10290 B11R1.346 CC(C)CNC(=O)C1CCC1 240690a_100000210953_100000209988 [0,1,0,1,0,0|2,0,0]=4 10291 B11R1.346 CC(C)CNC(=O)C1CCC1 527a_100000210953_100000209988 [0,1,0,1,0,0|2,0,0]=4 10292 B11R1.346 CC(C)CNC(=O)C1CCO1 11a_100000210953_100000089072 [0,1,0,1,0,0|1,0,0]=3 10293 B11R1.346 CC(C)CNC(=O)C1CCO1 1626a_100000210953_100000089072 [0,1,0,1,0,0|1,0,0]=3 10294 B11R1.346 CC(C)CNC(=O)C1CCO1 240690a_100000210953_100000089072 [0,1,0,1,0,0|1,0,0]=3 10295 B11R1.346 CC(C)CNC(=O)C1CCO1 527a_100000210953_100000089072 [0,1,0,1,0,0|1,0,0]=3 10296 B11R1.346 CC(C)CNC(=O)C1COC1 11a_100000210953_100000758290 [0,1,0,1,0,0|2,0,0]=4 10297 B11R1.346 CC(C)CNC(=O)C1COC1 1626a_100000210953_100000758290 [0,1,0,1,0,0|2,0,0]=4 10298 B11R1.346 CC(C)CNC(=O)C1COC1 240690a_100000210953_100000758290 [0,1,0,1,0,0|2,0,0]=4 10299 B11R1.346 CC(C)CNC(=O)C1COC1 527a_100000210953_100000758290 [0,1,0,1,0,0|2,0,0]=4 10300 B11R1.346 CC(C)CNC(=O)N1CCC1 2708a_100000210953_100000754969 [0,1,0,1,0,0|2,0,0]=4 10301 B11R1.346 CC(C)CNC(=O)N1CCC1 273464a_100000210953_100000754969 [0,1,0,1,0,0|2,0,0]=4 10302 B11R1.346 CC(C)NCC(=O)C1CCC1 2230a_100138425928_100000686122 [0,1,0,1,0,0|2,0,0]=4 10303 B11R1.346 CC(C)NCC(=O)C1CCC1 34a_100138425928_100000686122 [0,1,0,1,0,0|2,0,0]=4 10304 B11R1.346 CC(C)NCC(=O)N1CCC1 2230a_100138425928_100000185095 [0,1,0,1,0,0|2,0,0]=4 10305 B11R1.346 CC(C)NCC(=O)N1CCC1 34a_100138425928_100000185095 [0,1,0,1,0,0|2,0,0]=4 10306 B11R1.346 CC(C)NNC(=O)C1CCO1 22a_100000741168_100000089072 [0,1,0,1,0,0|2,0,0]=4 10307 B11R1.346 CC(C)OCC(=O)C1CCC1 1458a_100000745533_100000749161 [0,1,0,1,0,0|2,0,0]=4 10308 B11R1.346 CC(C)OCC(=O)C1CCC1 34a_100000212225_100000686122 [0,1,0,1,0,0|2,0,0]=4 10309 B11R1.346 CC(C)OCC(=O)C1COC1 1458a_100000745533_100000687716 [0,1,0,1,0,0|2,0,0]=4 10310 B11R1.346 CC(C)OCC(=O)N1CCC1 11a_100000754969_100000745533 [0,1,0,1,0,0|2,0,0]=4 10311 B11R1.346 CC(C)OCC(=O)N1CCC1 240690a_100000754969_100000745533 [0,1,0,1,0,0|2,0,0]=4 10312 B11R1.346 CC(C)OCC(=O)N1CCC1 34a_100000212225_100000185095 [0,1,0,1,0,0|2,0,0]=4 10313 B11R1.346 CC(C)OCC(=O)N1CCC1 527a_100000754969_100000745533 [0,1,0,1,0,0|2,0,0]=4 10314 B11R1.346 CC(C)SCC(=O)C1CCC1 1458a_100000241585_100000749161 [0,1,0,1,0,0|2,0,0]=4 10315 B11R1.346 CC(C)SCC(=O)C1CCC1 62a_100000210206_100000686122 [0,1,0,1,0,0|2,0,0]=4 10316 B11R1.346 CC(C)SCC(=O)C1CCC1 62a_100000686122_100000210206 [0,1,0,1,0,0|2,0,0]=4 10317 B11R1.346 CC(C)SCC(=O)C1COC1 1458a_100000241585_100000687716 [0,1,0,1,0,0|2,0,0]=4 10318 B11R1.346 CC(C)SCC(=O)N1CCC1 11a_100000754969_100000241585 [0,1,0,1,0,0|2,0,0]=4 10319 B11R1.346 CC(C)SCC(=O)N1CCC1 240690a_100000754969_100000241585 [0,1,0,1,0,0|2,0,0]=4 10320 B11R1.346 CC(C)SCC(=O)N1CCC1 527a_100000754969_100000241585 [0,1,0,1,0,0|2,0,0]=4 10321 B11R1.346 CC(C)SCC(=O)N1CCC1 62a_100000185095_100000210206 [0,1,0,1,0,0|2,0,0]=4 10322 B11R1.346 CC(C)SCC(=O)N1CCC1 62a_100000210206_100000185095 [0,1,0,1,0,0|2,0,0]=4 10323 B11R1.346 CC(O)CCC(=O)C1CCC1 1458a_100000209988_100012276601 [0,1,0,1,0,0|2,0,0]=4 10324 B11R1.346 CC(O)CCC(=O)C1CCO1 1458a_100000089072_100012276601 [0,1,0,1,0,0|1,0,0]=3 10325 B11R1.346 CC(O)CCC(=O)C1COC1 1458a_100000758290_100012276601 [0,1,0,1,0,0|2,0,0]=4 10326 B11R1.346 CC(O)CNC(=O)C1CCO1 11a_100000210904_100000089072 [0,1,0,1,0,0|2,0,0]=4 10327 B11R1.346 CC(O)CNC(=O)C1CCO1 240690a_100000210904_100000089072 [0,1,0,1,0,0|2,0,0]=4 10328 B11R1.346 CC(O)CNC(=O)C1CCO1 527a_100000210904_100000089072 [0,1,0,1,0,0|2,0,0]=4 10329 B11R1.346 CN(C)CCC(=O)N1CCC1 11a_100000754969_100000689311 [0,1,0,1,0,0|2,0,0]=4 10330 B11R1.346 CN(C)CCC(=O)N1CCC1 240690a_100000754969_100000689311 [0,1,0,1,0,0|2,0,0]=4 10331 B11R1.346 CN(C)CCC(=O)N1CCC1 527a_100000754969_100000689311 [0,1,0,1,0,0|2,0,0]=4 10332 B11R1.346 C[S+](C)CCC(=O)C1CCC1 1458a_100009452791_100000749161 [0,1,0,1,0,0|2,0,0]=4 10333 B11R1.346 C[S+](C)CCC(=O)C1COC1 1458a_100009452791_100000687716 [0,1,0,1,0,0|2,0,0]=4 10334 B11R1.346 C[S+](C)CCC(=O)N1CCC1 11a_100000754969_100009452791 [0,1,0,1,0,0|2,0,0]=4 10335 B11R1.346 C[S+](C)CCC(=O)N1CCC1 240690a_100000754969_100009452791 [0,1,0,1,0,0|2,0,0]=4 10336 B11R1.347 CC(C)CCC(=O)C1(CC1)C 1458a_100000756474_100000210312 [0,1,0,1,0,0|1,0,0]=3 10337 B11R1.347 CC(C)CCC(=O)C1(CC1)F 1458a_100000055089_100000210312 [0,1,0,1,0,0|1,0,0]=3 10338 B11R1.347 CC(C)CCC(=O)C1(CC1)O 1458a_100000241761_100000210312 [0,1,0,1,0,0|1,0,0]=3 10339 B11R1.347 CC(C)CNC(=O)C1(CC1)C 11a_100000210953_100000756474 [0,1,0,1,0,0|2,0,0]=4 10340 B11R1.347 CC(C)CNC(=O)C1(CC1)C 1626a_100000210953_100000756474 [0,1,0,1,0,0|2,0,0]=4 10341 B11R1.347 CC(C)CNC(=O)C1(CC1)C 240690a_100000210953_100000756474 [0,1,0,1,0,0|2,0,0]=4 10342 B11R1.347 CC(C)CNC(=O)C1(CC1)C 527a_100000210953_100000756474 [0,1,0,1,0,0|2,0,0]=4 10343 B11R1.347 CC(C)CNC(=O)C1(CC1)F 11a_100000210953_100000055089 [0,1,0,1,0,0|2,0,0]=4 10344 B11R1.347 CC(C)CNC(=O)C1(CC1)F 1626a_100000210953_100000055089 [0,1,0,1,0,0|2,0,0]=4 10345 B11R1.347 CC(C)CNC(=O)C1(CC1)F 240690a_100000210953_100000055089 [0,1,0,1,0,0|2,0,0]=4 10346 B11R1.347 CC(C)CNC(=O)C1(CC1)F 527a_100000210953_100000055089 [0,1,0,1,0,0|2,0,0]=4 10347 B11R1.347 CC(C)CNC(=O)C1(CC1)O 240690a_100000210953_100000241761 [0,1,0,1,0,0|2,0,0]=4 10348 B11R1.347 CC(O)CCC(=O)C1(CC1)C 1458a_100000756474_100012276601 [0,1,0,1,0,0|2,0,0]=4 10349 B11R1.347 CC(O)CCC(=O)C1(CC1)F 1458a_100000055089_100012276601 [0,1,0,1,0,0|2,0,0]=4 10350 B11R1.347 CC(O)CCC(=O)C1(CC1)O 1458a_100000241761_100012276601 [0,1,0,1,0,0|2,0,0]=4 10351 B11R1.1006 CCC(C)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000758301 [0,1,0,1,0,0|1,0,0]=3 10352 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 11a_100000225621_100000692687 [0,1,0,1,0,0|1,0,0]=3 10353 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 1626a_100000225621_100000692687 [0,1,0,1,0,0|1,0,0]=3 10354 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 240690a_100000225621_100000692687 [0,1,0,1,0,0|1,0,0]=3 10355 B11R1.1006 CCN(C)C(=O)[C@H]1CC1(C)C 527a_100000225621_100000692687 [0,1,0,1,0,0|1,0,0]=3 10356 B11R1.1 CC1CCC(CC1)OCCBr 34a_100000211926_200011216234 [0,1,0,1,0,0|1,0,1]=4 10357 B11R1.1 CC1CCC(CC1)OCCF 34a_100000210714_100011217306 [0,1,0,1,0,0|1,0,1]=4 10358 B11R1.1 CC1CCC(CC1)OCCF 7a_100000210714_100011217306 [0,1,0,1,0,0|1,0,1]=4 10359 B11R1.1 CC1CCC(CC1)OCCN 34a_100000210304_200011216234 [0,1,0,1,0,0|1,0,1]=4 10360 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [0,1,0,1,0,0|1,0,1]=4 10361 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [0,1,0,1,0,0|1,0,1]=4 10362 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,1,0,1,0,0|1,0,1]=4 10363 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,1,0,1,0,0|1,0,1]=4 10364 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,1,0,1,0,0|1,0,1]=4 10365 B11R1.1 CCNN=C1CCC(CC1)C 4a_100000756455_100000185489 [0,1,0,1,0,0|2,0,0]=4 10366 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,1,0,1,0,0|1,0,1]=4 10367 B11R1.1 CCOCN1CCC(CC1)C 269982a_100000188429_100000739092 [0,1,0,1,0,0|2,0,0]=4 10368 B11R1.1 CSCOC1CCC(CC1)C 34a_100000210714_100011218213 [0,1,0,1,0,0|1,0,1]=4 10369 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,1,0,1,0,0|1,0,1]=4 10370 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,1,0,1,0,0|1,0,1]=4 10371 B11R1.213 CCNN=C1CCC(C1)(C)C 4a_100000756455_100000759959 [0,1,0,1,0,0|2,0,0]=4 10372 B11R1.213 CCOCN1CCC(C1)(C)C 269982a_100000764714_100000739092 [0,1,0,1,0,0|2,0,0]=4 10373 B11R1.283 CCOCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211967 [0,1,0,1,0,0|2,0,0]=4 10374 B11R1.283 CCOCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211967 [0,1,0,1,0,0|2,0,0]=4 10375 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 10376 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 10377 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 10378 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 10379 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000692101_100000694398 [0,1,0,1,0,0|1,0,1]=4 10380 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000756386_100000753159 [0,1,0,1,0,0|1,0,1]=4 10381 B11R1.285 C#CCNC(=O)CCC1CC1 11a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 10382 B11R1.285 C#CCNC(=O)CCC1CC1 1626a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 10383 B11R1.285 C#CCNC(=O)CCC1CC1 240690a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 10384 B11R1.285 C#CCNC(=O)CCC1CC1 527a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 10385 B11R1.285 C/C=C/CC(=O)CCC1CC1 1458a_100000756386_100102629194 [0,1,0,1,0,0|1,0,1]=4 10386 B11R1.285 C=C(CNC1CC1)OCOC 34a_100000212008_100000042856 [0,1,0,1,0,0|2,0,0]=4 10387 B11R1.285 C=C(CSC1CC1)OCOC 62a_100000042856_100000211595 [0,1,0,1,0,0|2,0,0]=4 10388 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000749702_100000694398 [0,1,0,1,0,0|1,0,1]=4 10389 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000756386_100000754431 [0,1,0,1,0,0|1,0,1]=4 10390 B11R1.285 C=CCNC(=O)CCC1CC1 1626a_100020586998_100000756386 [0,1,0,1,0,0|1,0,1]=4 10391 B11R1.285 C=CCNC(=O)CCC1CC1 240690a_100020586998_100000756386 [0,1,0,1,0,0|1,0,1]=4 10392 B11R1.285 C=CCNC(=O)CCC1CC1 527a_100020586998_100000756386 [0,1,0,1,0,0|1,0,1]=4 10393 B11R1.285 C=CCOC(=O)CNC1CC1 34a_100000212008_100000033060 [0,1,0,1,0,0|1,0,1]=4 10394 B11R1.285 C=CCOC(=O)CSC1CC1 62a_100000033060_100000211595 [0,1,0,1,0,0|1,0,1]=4 10395 B11R1.285 CC#CCC(=O)CCC1CC1 1458a_100000756386_100000748600 [0,1,0,1,0,0|1,0,1]=4 10396 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100000756386_100000070051 [0,1,0,1,0,0|1,0,1]=4 10397 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100121576822_100000694398 [0,1,0,1,0,0|1,0,1]=4 10398 B11R1.285 CCC#CC(=O)CCC1CC1 1458a_100011827653_100000694398 [0,1,0,1,0,0|1,0,0]=3 10399 B11R1.285 CCC#CC(=O)CCC1CO1 1458a_100011827653_100000732470 [0,1,0,1,0,0|2,0,0]=4 10400 B11R1.285 CCC=CC(=O)CCC1CC1 1458a_100000212282_100000694398 [0,1,0,1,0,0|1,0,0]=3 10401 B11R1.285 CCC=CC(=O)CCC1CO1 1458a_100000212282_100000732470 [0,1,0,1,0,0|2,0,0]=4 10402 B11R1.285 CCC=CC(=O)NCC1CC1 11a_100000735609_100000212282 [0,1,0,1,0,0|2,0,0]=4 10403 B11R1.285 CCC=CC(=O)NCC1CC1 1626a_100000735609_100000212282 [0,1,0,1,0,0|2,0,0]=4 10404 B11R1.285 CCC=CC(=O)NCC1CC1 240690a_100000735609_100000212282 [0,1,0,1,0,0|2,0,0]=4 10405 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,1,0,1,0,0|1,0,0]=3 10406 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,1,0,1,0,0|1,0,0]=3 10407 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [0,1,0,1,0,0|2,0,0]=4 10408 B11R1.285 CCCCC(=O)NCC1CC1 11a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 10409 B11R1.285 CCCCC(=O)NCC1CC1 1626a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 10410 B11R1.285 CCCCC(=O)NCC1CC1 240690a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 10411 B11R1.285 CCCCC(=O)NCC1CC1 527a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 10412 B11R1.285 CCCNC(=O)CCC1CC1 11a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 10413 B11R1.285 CCCNC(=O)CCC1CC1 1626a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 10414 B11R1.285 CCCNC(=O)CCC1CC1 240690a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 10415 B11R1.285 CCCNC(=O)CCC1CC1 527a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 10416 B11R1.285 CCCNC(=O)CNC1CC1 34a_100000212008_100000183358 [0,1,0,1,0,0|2,0,0]=4 10417 B11R1.285 CCCNC(=O)CSC1CC1 62a_100000183358_100000211595 [0,1,0,1,0,0|2,0,0]=4 10418 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100000735609_100020643023 [0,1,0,1,0,0|2,0,0]=4 10419 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100020643023_100000735609 [0,1,0,1,0,0|2,0,0]=4 10420 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100000735609_100020643023 [0,1,0,1,0,0|2,0,0]=4 10421 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100020643023_100000735609 [0,1,0,1,0,0|2,0,0]=4 10422 B11R1.285 CCCNC(=O)NCC1CC1 512a_100000735609_100020643023 [0,1,0,1,0,0|2,0,0]=4 10423 B11R1.285 CCCNC(=O)NCC1CC1 512a_100020643023_100000735609 [0,1,0,1,0,0|2,0,0]=4 10424 B11R1.285 CCCOC(=O)CNC1CC1 34a_100000212008_200011215008 [0,1,0,1,0,0|1,0,0]=3 10425 B11R1.285 CCCOC(=O)CSC1CC1 62a_200011215008_100000211595 [0,1,0,1,0,0|1,0,0]=3 10426 B11R1.285 CCNNC(=O)CCC1CC1 22a_100000756455_100000756386 [0,1,0,1,0,0|1,0,0]=3 10427 B11R1.285 CCNNC(=O)NCC1CC1 273464a_100000735609_100000756455 [0,1,0,1,0,0|2,0,0]=4 10428 B11R1.285 CCNNC(=O)NCC1CC1 512a_100000735609_100000756455 [0,1,0,1,0,0|2,0,0]=4 10429 B11R1.285 CCNNC(=O)NCC1CC1 512a_100000756455_100000735609 [0,1,0,1,0,0|2,0,0]=4 10430 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [0,1,0,1,0,0|0,0,0]=2 10431 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [0,1,0,1,0,0|1,0,0]=3 10432 B11R1.285 CCOCC(=O)NCC1CC1 11a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 10433 B11R1.285 CCOCC(=O)NCC1CC1 1626a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 10434 B11R1.285 CCOCC(=O)NCC1CC1 240690a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 10435 B11R1.285 CCOCC(=O)NCC1CC1 527a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 10436 B11R1.285 CCOCC(=O)NNC1CC1 22a_100000701032_100000211967 [0,1,0,1,0,0|2,0,0]=4 10437 B11R1.285 CCSCC(=O)CCC1CC1 1458a_100000230394_100000694398 [0,1,0,1,0,0|0,1,0]=3 10438 B11R1.285 CCSCC(=O)CCC1CO1 1458a_100000230394_100000732470 [0,1,0,1,0,0|1,1,0]=4 10439 B11R1.285 CCSCC(=O)NCC1CC1 11a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 10440 B11R1.285 CCSCC(=O)NCC1CC1 1626a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 10441 B11R1.285 CCSCC(=O)NCC1CC1 240690a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 10442 B11R1.285 CCSCC(=O)NCC1CC1 527a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 10443 B11R1.285 COC=CC(=O)CCC1CC1 1458a_100016268678_100000694398 [0,1,0,1,0,0|1,0,1]=4 10444 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000749529_100000694398 [0,1,0,1,0,0|1,0,0]=3 10445 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000756386_100000233755 [0,1,0,1,0,0|1,0,0]=3 10446 B11R1.285 COCCC(=O)CCC1CO1 1458a_100000749529_100000732470 [0,1,0,1,0,0|2,0,0]=4 10447 B11R1.285 COCCC(=O)NCC1CC1 11a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 10448 B11R1.285 COCCC(=O)NCC1CC1 1626a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 10449 B11R1.285 COCCC(=O)NCC1CC1 240690a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 10450 B11R1.285 COCCC(=O)NCC1CC1 527a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 10451 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000174002_100000694398 [0,1,0,1,0,0|1,0,0]=3 10452 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000756386_100000751147 [0,1,0,1,0,0|1,0,0]=3 10453 B11R1.285 CSCCC(=O)CCC1CO1 1458a_100000174002_100000732470 [0,1,0,1,0,0|2,0,0]=4 10454 B11R1.285 CSCCC(=O)NCC1CC1 11a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 10455 B11R1.285 CSCCC(=O)NCC1CC1 1626a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 10456 B11R1.285 CSCCC(=O)NCC1CC1 240690a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 10457 B11R1.285 CSCCC(=O)NCC1CC1 527a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 10458 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100000756386_100011215226 [0,1,0,1,0,0|1,0,1]=4 10459 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100011934036_100000694398 [0,1,0,1,0,0|1,0,1]=4 10460 B11R1.285 N#CCNC(=O)CCC1CC1 1626a_100000734998_100000756386 [0,1,0,1,0,0|1,0,1]=4 10461 B11R1.285 N#CCNC(=O)CCC1CC1 527a_100000734998_100000756386 [0,1,0,1,0,0|1,0,1]=4 10462 B11R1.285 O=C(C#CCO)CCC1CC1 1458a_100000049017_100000694398 [0,1,0,1,0,0|1,0,1]=4 10463 B11R1.285 O=C(CCC1CC1)NCCF 11a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 10464 B11R1.285 O=C(CCC1CC1)NCCF 1626a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 10465 B11R1.285 O=C(CCC1CC1)NCCF 240690a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 10466 B11R1.285 O=C(CCC1CC1)NCCF 527a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 10467 B11R1.285 O=C(CCC1CC1)NCCO 240690a_100000210304_100000756386 [0,1,0,1,0,0|1,0,0]=3 10468 B11R1.285 O=C(CCC1CC1)NCCO 527a_100000210304_100000756386 [0,1,0,1,0,0|1,0,0]=3 10469 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [0,1,0,1,0,0|1,0,0]=3 10470 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [0,1,0,1,0,0|1,0,0]=3 10471 B11R1.285 O=C(NCCF)NCC1CC1 2708a_100000735609_100000724931 [0,1,0,1,0,0|2,0,0]=4 10472 B11R1.285 O=C(NCCF)NCC1CC1 273464a_100000724931_100000735609 [0,1,0,1,0,0|2,0,0]=4 10473 B11R1.285 O=C(NCCF)NCC1CC1 273464a_100000735609_100000724931 [0,1,0,1,0,0|2,0,0]=4 10474 B11R1.285 O=C(NCCF)NCC1CC1 512a_100000735609_100000724931 [0,1,0,1,0,0|2,0,0]=4 10475 B11R1.285 O=C(NCCO)NCC1CC1 2708a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 10476 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000210304_100000735609 [0,1,0,1,0,0|2,0,0]=4 10477 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 10478 B11R1.285 O=C(NCCO)NCC1CC1 512a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 10479 B11R1.287 C#CCCC(=O)C1CC(C1)C 1458a_100000686124_100000753159 [0,1,0,1,0,0|1,0,1]=4 10480 B11R1.287 C#CCNC(=O)C1CC(C1)C 11a_100000212058_100000686124 [0,1,0,1,0,0|1,0,1]=4 10481 B11R1.287 C#CCNC(=O)C1CC(C1)C 1626a_100000212058_100000686124 [0,1,0,1,0,0|1,0,1]=4 10482 B11R1.287 C#CCNC(=O)C1CC(C1)C 240690a_100000212058_100000686124 [0,1,0,1,0,0|1,0,1]=4 10483 B11R1.287 C#CCNC(=O)C1CC(C1)C 527a_100000212058_100000686124 [0,1,0,1,0,0|1,0,1]=4 10484 B11R1.287 C/C=C/CC(=O)C1CC(C1)C 1458a_100000686124_100102629194 [0,1,0,1,0,0|1,0,1]=4 10485 B11R1.287 C=CCCC(=O)C1CC(C1)C 1458a_100000686124_100000754431 [0,1,0,1,0,0|1,0,1]=4 10486 B11R1.287 C=CCNC(=O)C1CC(C1)C 1626a_100020586998_100000686124 [0,1,0,1,0,0|1,0,1]=4 10487 B11R1.287 C=CCNC(=O)C1CC(C1)C 240690a_100020586998_100000686124 [0,1,0,1,0,0|1,0,1]=4 10488 B11R1.287 C=CCNC(=O)C1CC(C1)C 527a_100020586998_100000686124 [0,1,0,1,0,0|1,0,1]=4 10489 B11R1.287 CC#CCC(=O)C1CC(C1)C 1458a_100000686124_100000748600 [0,1,0,1,0,0|1,0,1]=4 10490 B11R1.287 CC1CC(C1)C(=O)CCC#N 1458a_100000686124_100011215226 [0,1,0,1,0,0|1,0,1]=4 10491 B11R1.287 CC1CC(C1)C(=O)CCCF 1458a_100000686124_100011934791 [0,1,0,1,0,0|1,0,0]=3 10492 B11R1.287 CC1CC(C1)C(=O)CCCO 1458a_100000686124_100011215043 [0,1,0,1,0,0|1,0,0]=3 10493 B11R1.287 CC1CC(C1)C(=O)NCC#N 1626a_100000734998_100000686124 [0,1,0,1,0,0|1,0,1]=4 10494 B11R1.287 CC1CC(C1)C(=O)NCC#N 527a_100000734998_100000686124 [0,1,0,1,0,0|1,0,1]=4 10495 B11R1.287 CC1CC(C1)C(=O)NCCF 11a_100000724931_100000686124 [0,1,0,1,0,0|1,0,0]=3 10496 B11R1.287 CC1CC(C1)C(=O)NCCF 1626a_100000724931_100000686124 [0,1,0,1,0,0|1,0,0]=3 10497 B11R1.287 CC1CC(C1)C(=O)NCCF 240690a_100000724931_100000686124 [0,1,0,1,0,0|1,0,0]=3 10498 B11R1.287 CC1CC(C1)C(=O)NCCF 527a_100000724931_100000686124 [0,1,0,1,0,0|1,0,0]=3 10499 B11R1.287 CC1CC(C1)C(=O)NCCO 240690a_100000210304_100000686124 [0,1,0,1,0,0|1,0,0]=3 10500 B11R1.287 CC1CC(C1)C(=O)NCCO 527a_100000210304_100000686124 [0,1,0,1,0,0|1,0,0]=3 10501 B11R1.287 CC1CN(C1)C(=O)NCCF 273464a_100000724931_100000702820 [0,1,0,1,0,0|2,0,0]=4 10502 B11R1.287 CC1CN(C1)C(=O)NCCO 273464a_100000210304_100000702820 [0,1,0,1,0,0|2,0,0]=4 10503 B11R1.287 CC=CCC(=O)C1CC(C1)C 1458a_100000686124_100000070051 [0,1,0,1,0,0|1,0,1]=4 10504 B11R1.287 CCC=CC(=O)N1CC(C1)C 11a_100000702820_100000212282 [0,1,0,1,0,0|2,0,0]=4 10505 B11R1.287 CCC=CC(=O)N1CC(C1)C 240690a_100000702820_100000212282 [0,1,0,1,0,0|2,0,0]=4 10506 B11R1.287 CCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210211 [0,1,0,1,0,0|1,0,0]=3 10507 B11R1.287 CCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210211 [0,1,0,1,0,0|2,0,0]=4 10508 B11R1.287 CCCCC(=O)C1CN(C1)C 1458a_100012002723_100000210211 [0,1,0,1,0,0|2,0,0]=4 10509 B11R1.287 CCCCC(=O)N1CC(C1)C 11a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 10510 B11R1.287 CCCCC(=O)N1CC(C1)C 240690a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 10511 B11R1.287 CCCCC(=O)N1CC(C1)C 527a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 10512 B11R1.287 CCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210211 [0,1,0,1,0,0|2,0,0]=4 10513 B11R1.287 CCCNC(=O)C1CC(C1)C 11a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 10514 B11R1.287 CCCNC(=O)C1CC(C1)C 1626a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 10515 B11R1.287 CCCNC(=O)C1CC(C1)C 240690a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 10516 B11R1.287 CCCNC(=O)C1CC(C1)C 527a_100020643023_100000686124 [0,1,0,1,0,0|1,0,0]=3 10517 B11R1.287 CCCNC(=O)C1CC(C1)F 11a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 10518 B11R1.287 CCCNC(=O)C1CC(C1)F 1626a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 10519 B11R1.287 CCCNC(=O)C1CC(C1)F 240690a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 10520 B11R1.287 CCCNC(=O)C1CC(C1)F 527a_100020643023_100000062598 [0,1,0,1,0,0|2,0,0]=4 10521 B11R1.287 CCCNC(=O)C1CN(C1)C 240690a_100020643023_100012002723 [0,1,0,1,0,0|2,0,0]=4 10522 B11R1.287 CCCNC(=O)N1CC(C1)C 2708a_100020643023_100000702820 [0,1,0,1,0,0|2,0,0]=4 10523 B11R1.287 CCCNC(=O)N1CC(C1)C 273464a_100020643023_100000702820 [0,1,0,1,0,0|2,0,0]=4 10524 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100020643023_100015266633 [0,1,0,1,0,0|2,0,0]=4 10525 B11R1.287 CCCNC(=O)[C@H]1C[C@H](C1)O 527a_100020643023_100015266633 [0,1,0,1,0,0|2,0,0]=4 10526 B11R1.287 CCNNC(=O)C1CC(C1)C 22a_100000756455_100000686124 [0,1,0,1,0,0|1,0,0]=3 10527 B11R1.287 CCNNC(=O)C1CC(C1)F 22a_100000756455_100000062598 [0,1,0,1,0,0|2,0,0]=4 10528 B11R1.287 CCNNC(=O)C1CN(C1)C 22a_100000756455_100012002723 [0,1,0,1,0,0|2,0,0]=4 10529 B11R1.287 CCNNC(=O)[C@H]1C[C@H](C1)O 22a_100000756455_100015266633 [0,1,0,1,0,0|2,0,0]=4 10530 B11R1.287 CCOCC(=O)N1CC(C1)C 11a_100000702820_100000211967 [0,1,0,1,0,0|1,0,0]=3 10531 B11R1.287 CCOCC(=O)N1CC(C1)C 240690a_100000702820_100000211967 [0,1,0,1,0,0|1,0,0]=3 10532 B11R1.287 CCOCC(=O)N1CC(C1)C 527a_100000702820_100000211967 [0,1,0,1,0,0|1,0,0]=3 10533 B11R1.287 CCOCC(=O)N1CC(C1)F 11a_100000690557_100000211967 [0,1,0,1,0,0|2,0,0]=4 10534 B11R1.287 CCOCC(=O)N1CC(C1)F 240690a_100000690557_100000211967 [0,1,0,1,0,0|2,0,0]=4 10535 B11R1.287 CCOCC(=O)N1CC(C1)F 527a_100000690557_100000211967 [0,1,0,1,0,0|2,0,0]=4 10536 B11R1.287 CCOCC(=O)N1CC(C1)O 11a_100000749847_100000211967 [0,1,0,1,0,0|2,0,0]=4 10537 B11R1.287 CCOCC(=O)N1CC(C1)O 240690a_100000749847_100000211967 [0,1,0,1,0,0|2,0,0]=4 10538 B11R1.287 CCOCC(=O)N1CC(C1)O 34a_100121572206_100013143841 [0,1,0,1,0,0|2,0,0]=4 10539 B11R1.287 CCOCC(=O)N1CC(C1)O 527a_100000749847_100000211967 [0,1,0,1,0,0|2,0,0]=4 10540 B11R1.287 CCSCC(=O)N1CC(C1)C 11a_100000702820_100000230394 [0,1,0,1,0,0|1,1,0]=4 10541 B11R1.287 CCSCC(=O)N1CC(C1)C 240690a_100000702820_100000230394 [0,1,0,1,0,0|1,1,0]=4 10542 B11R1.287 CCSCC(=O)N1CC(C1)C 527a_100000702820_100000230394 [0,1,0,1,0,0|1,1,0]=4 10543 B11R1.287 CN1CC(C1)C(=O)CCCF 1458a_100012002723_100011934791 [0,1,0,1,0,0|2,0,0]=4 10544 B11R1.287 CN1CC(C1)C(=O)CCCO 1458a_100012002723_100011215043 [0,1,0,1,0,0|2,0,0]=4 10545 B11R1.287 CN1CC(C1)C(=O)NCCF 240690a_100000724931_100012002723 [0,1,0,1,0,0|2,0,0]=4 10546 B11R1.287 CN1CC(C1)C(=O)NCCO 240690a_100000210304_100012002723 [0,1,0,1,0,0|2,0,0]=4 10547 B11R1.287 COCCC(=O)C1CC(C1)C 1458a_100000686124_100000233755 [0,1,0,1,0,0|1,0,0]=3 10548 B11R1.287 COCCC(=O)C1CC(C1)F 1458a_100000062598_100000233755 [0,1,0,1,0,0|2,0,0]=4 10549 B11R1.287 COCCC(=O)C1CN(C1)C 1458a_100012002723_100000233755 [0,1,0,1,0,0|2,0,0]=4 10550 B11R1.287 COCCC(=O)N1CC(C1)C 11a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 10551 B11R1.287 COCCC(=O)N1CC(C1)C 240690a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 10552 B11R1.287 COCCC(=O)N1CC(C1)C 527a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 10553 B11R1.287 COCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000233755 [0,1,0,1,0,0|2,0,0]=4 10554 B11R1.287 CSCCC(=O)C1CC(C1)C 1458a_100000686124_100000751147 [0,1,0,1,0,0|1,0,0]=3 10555 B11R1.287 CSCCC(=O)C1CC(C1)F 1458a_100000062598_100000751147 [0,1,0,1,0,0|2,0,0]=4 10556 B11R1.287 CSCCC(=O)C1CN(C1)C 1458a_100012002723_100000751147 [0,1,0,1,0,0|2,0,0]=4 10557 B11R1.287 CSCCC(=O)N1CC(C1)C 11a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 10558 B11R1.287 CSCCC(=O)N1CC(C1)C 240690a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 10559 B11R1.287 CSCCC(=O)N1CC(C1)C 527a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 10560 B11R1.287 CSCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000751147 [0,1,0,1,0,0|2,0,0]=4 10561 B11R1.287 O=C(CCCF)C1CC(C1)F 1458a_100000062598_100011934791 [0,1,0,1,0,0|2,0,0]=4 10562 B11R1.287 O=C(CCCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011934791 [0,1,0,1,0,0|2,0,0]=4 10563 B11R1.287 O=C(CCCO)C1CC(C1)F 1458a_100000062598_100011215043 [0,1,0,1,0,0|2,0,0]=4 10564 B11R1.287 O=C(CCCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100011215043 [0,1,0,1,0,0|2,0,0]=4 10565 B11R1.287 O=C(NCCF)C1CC(C1)F 11a_100000724931_100000062598 [0,1,0,1,0,0|2,0,0]=4 10566 B11R1.287 O=C(NCCF)C1CC(C1)F 1626a_100000724931_100000062598 [0,1,0,1,0,0|2,0,0]=4 10567 B11R1.287 O=C(NCCF)C1CC(C1)F 240690a_100000724931_100000062598 [0,1,0,1,0,0|2,0,0]=4 10568 B11R1.287 O=C(NCCF)C1CC(C1)F 527a_100000724931_100000062598 [0,1,0,1,0,0|2,0,0]=4 10569 B11R1.287 O=C(NCCF)[C@H]1C[C@H](C1)O 240690a_100000724931_100015266633 [0,1,0,1,0,0|2,0,0]=4 10570 B11R1.287 O=C(NCCF)[C@H]1C[C@H](C1)O 527a_100000724931_100015266633 [0,1,0,1,0,0|2,0,0]=4 10571 B11R1.287 O=C(NCCO)C1CC(C1)F 240690a_100000210304_100000062598 [0,1,0,1,0,0|2,0,0]=4 10572 B11R1.287 O=C(NCCO)C1CC(C1)F 527a_100000210304_100000062598 [0,1,0,1,0,0|2,0,0]=4 10573 B11R1.287 O=C(NCCO)[C@H]1C[C@H](C1)O 240690a_100000210304_100015266633 [0,1,0,1,0,0|2,0,0]=4 10574 B11R1.287 O=C(NCCO)[C@H]1C[C@H](C1)O 527a_100000210304_100015266633 [0,1,0,1,0,0|2,0,0]=4 10575 B11R1.304 CC1(COC(=O)[C@@H]1OCF)C 34a_100009815050_100015361967 [0,1,0,1,0,0|2,0,0]=4 10576 B11R1.304 CC1(COC(=O)[C@@H]1OCF)C 7a_100009815050_100015361967 [0,1,0,1,0,0|2,0,0]=4 10577 B11R1.304 CCO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100000210202 [0,1,0,1,0,0|1,0,0]=3 10578 B11R1.304 CCO[C@H]1C(=O)OCC1(C)C 7a_100009815050_100000210202 [0,1,0,1,0,0|1,0,0]=3 10579 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000181311_100000742324 [0,1,0,1,0,0|1,0,0]=3 10580 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000738066_100000210312 [0,1,0,1,0,0|1,0,0]=3 10581 B11R1.348 CC(C)CCC(=O)CC1CO1 1458a_100000181311_100011216344 [0,1,0,1,0,0|1,0,0]=3 10582 B11R1.348 CC(C)CCC(=O)CC1CS1 1458a_100000181311_100000031435 [0,1,0,1,0,0|1,0,0]=3 10583 B11R1.348 CC(C)CCC(=O)C[C@@H]1CO1 1458a_100000181311_100000745022 [0,1,0,1,0,0|1,0,0]=3 10584 B11R1.348 CC(C)CCC(=O)NC1CC1 1626a_100000212008_100000181311 [0,1,0,1,0,0|1,0,0]=3 10585 B11R1.348 CC(C)CCC(=O)NC1CC1 240690a_100000212008_100000181311 [0,1,0,1,0,0|1,0,0]=3 10586 B11R1.348 CC(C)CCC(=O)NC1CC1 527a_100000212008_100000181311 [0,1,0,1,0,0|1,0,0]=3 10587 B11R1.348 CC(C)CCC(C)OC1CC1 34a_100011215350_100000211595 [0,1,0,1,0,0|1,0,1]=4 10588 B11R1.348 CC(C)CNC(=O)CC1CC1 11a_100000210953_100000738066 [0,1,0,1,0,0|2,0,0]=4 10589 B11R1.348 CC(C)CNC(=O)CC1CC1 1626a_100000210953_100000738066 [0,1,0,1,0,0|2,0,0]=4 10590 B11R1.348 CC(C)CNC(=O)CC1CC1 240690a_100000210953_100000738066 [0,1,0,1,0,0|2,0,0]=4 10591 B11R1.348 CC(C)CNC(=O)CC1CC1 527a_100000210953_100000738066 [0,1,0,1,0,0|2,0,0]=4 10592 B11R1.348 CC(C)CNC(=O)NC1CC1 2708a_100000210953_100000212008 [0,1,0,1,0,0|2,0,0]=4 10593 B11R1.348 CC(C)CNC(=O)NC1CC1 2708a_100000212008_100000210953 [0,1,0,1,0,0|2,0,0]=4 10594 B11R1.348 CC(C)CNC(=O)NC1CC1 273464a_100000210953_100000212008 [0,1,0,1,0,0|2,0,0]=4 10595 B11R1.348 CC(C)CNC(=O)NC1CC1 273464a_100000212008_100000210953 [0,1,0,1,0,0|2,0,0]=4 10596 B11R1.348 CC(C)CNC(=O)NC1CC1 512a_100000212008_100000210953 [0,1,0,1,0,0|2,0,0]=4 10597 B11R1.348 CC(C)NCC(=O)NC1CC1 2230a_100000702991_100000210206 [0,1,0,1,0,0|2,0,0]=4 10598 B11R1.348 CC(C)NCC(=O)NC1CC1 2230a_100138425928_100000182950 [0,1,0,1,0,0|2,0,0]=4 10599 B11R1.348 CC(C)NCC(=O)NC1CC1 34a_100138425928_100000182950 [0,1,0,1,0,0|2,0,0]=4 10600 B11R1.348 CC(C)OCC(=O)CC1CC1 1458a_100000745533_100000742324 [0,1,0,1,0,0|2,0,0]=4 10601 B11R1.348 CC(C)OCC(=O)CC1CO1 1458a_100000745533_100011216344 [0,1,0,1,0,0|2,0,0]=4 10602 B11R1.348 CC(C)OCC(=O)CC1CS1 1458a_100000745533_100000031435 [0,1,0,1,0,0|2,0,0]=4 10603 B11R1.348 CC(C)OCC(=O)C[C@@H]1CO1 1458a_100000745533_100000745022 [0,1,0,1,0,0|2,0,0]=4 10604 B11R1.348 CC(C)OCC(=O)NC1CC1 1626a_100000212008_100000745533 [0,1,0,1,0,0|2,0,0]=4 10605 B11R1.348 CC(C)OCC(=O)NC1CC1 240690a_100000212008_100000745533 [0,1,0,1,0,0|2,0,0]=4 10606 B11R1.348 CC(C)OCC(=O)NC1CC1 34a_100000212225_100000182950 [0,1,0,1,0,0|2,0,0]=4 10607 B11R1.348 CC(C)OCC(=O)NC1CC1 527a_100000212008_100000745533 [0,1,0,1,0,0|2,0,0]=4 10608 B11R1.348 CC(C)SCC(=O)CC1CC1 1458a_100000241585_100000742324 [0,1,0,1,0,0|2,0,0]=4 10609 B11R1.348 CC(C)SCC(=O)CC1CO1 1458a_100000241585_100011216344 [0,1,0,1,0,0|2,0,0]=4 10610 B11R1.348 CC(C)SCC(=O)CC1CS1 1458a_100000241585_100000031435 [0,1,0,1,0,0|2,0,0]=4 10611 B11R1.348 CC(C)SCC(=O)C[C@@H]1CO1 1458a_100000241585_100000745022 [0,1,0,1,0,0|2,0,0]=4 10612 B11R1.348 CC(C)SCC(=O)NC1CC1 1626a_100000212008_100000241585 [0,1,0,1,0,0|2,0,0]=4 10613 B11R1.348 CC(C)SCC(=O)NC1CC1 240690a_100000212008_100000241585 [0,1,0,1,0,0|2,0,0]=4 10614 B11R1.348 CC(C)SCC(=O)NC1CC1 527a_100000212008_100000241585 [0,1,0,1,0,0|2,0,0]=4 10615 B11R1.348 CC(C)SCC(=O)NC1CC1 62a_100000182950_100000210206 [0,1,0,1,0,0|2,0,0]=4 10616 B11R1.348 CC(C)SCC(=O)NC1CC1 62a_100000210206_100000182950 [0,1,0,1,0,0|2,0,0]=4 10617 B11R1.348 CC(O)CCC(=O)CC1CC1 1458a_100000738066_100012276601 [0,1,0,1,0,0|2,0,0]=4 10618 B11R1.348 CC(O)CCC(=O)NC1CC1 1626a_100000212008_100000718519 [0,1,0,1,0,0|2,0,0]=4 10619 B11R1.348 CN(C)CCC(=O)NC1CC1 2230a_100102631434_100000737409 [0,1,0,1,0,0|2,0,0]=4 10620 B11R1.348 CN(C)CCC(=O)NC1CC1 240690a_100000212008_100000689311 [0,1,0,1,0,0|2,0,0]=4 10621 B11R1.348 CN(C)CCC(=O)NC1CC1 269982a_100102631434_100000737409 [0,1,0,1,0,0|2,0,0]=4 10622 B11R1.348 CN(C)CCC(=O)NC1CC1 527a_100000212008_100000689311 [0,1,0,1,0,0|2,0,0]=4 10623 B11R1.348 C[S+](C)CCC(=O)CC1CC1 1458a_100009452791_100000742324 [0,1,0,1,0,0|2,0,0]=4 10624 B11R1.348 C[S+](C)CCC(=O)CC1CO1 1458a_100009452791_100011216344 [0,1,0,1,0,0|2,0,0]=4 10625 B11R1.348 C[S+](C)CCC(=O)CC1CS1 1458a_100009452791_100000031435 [0,1,0,1,0,0|2,0,0]=4 10626 B11R1.348 C[S+](C)CCC(=O)C[C@@H]1CO1 1458a_100009452791_100000745022 [0,1,0,1,0,0|2,0,0]=4 10627 B11R1.348 C[S+](C)CCC(=O)NC1CC1 1626a_100000212008_100009452791 [0,1,0,1,0,0|2,0,0]=4 10628 B11R1.348 C[S+](C)CCC(=O)NC1CC1 240690a_100000212008_100009452791 [0,1,0,1,0,0|2,0,0]=4 10629 B11R1.495 CC(C)NC1C(=O)COC1=O 34a_100138425928_100000032967 [0,1,0,1,0,0|1,0,1]=4 10630 B11R1.495 CC(C)OC1C(=O)COC1=O 34a_100000212225_100000032967 [0,1,0,1,0,0|1,0,1]=4 10631 B11R1.495 CC(C)SC1C(=O)COC1=O 62a_100000210206_100000032967 [0,1,0,1,0,0|1,0,1]=4 10632 B11R1.995 C#CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000753159 [0,1,0,1,0,0|1,0,1]=4 10633 B11R1.995 C#CCNC(=O)[C@H]1CC1(C)C 11a_100000212058_100000692687 [0,1,0,1,0,0|1,0,1]=4 10634 B11R1.995 C#CCNC(=O)[C@H]1CC1(C)C 1626a_100000212058_100000692687 [0,1,0,1,0,0|1,0,1]=4 10635 B11R1.995 C#CCNC(=O)[C@H]1CC1(C)C 240690a_100000212058_100000692687 [0,1,0,1,0,0|1,0,1]=4 10636 B11R1.995 C#CCNC(=O)[C@H]1CC1(C)C 527a_100000212058_100000692687 [0,1,0,1,0,0|1,0,1]=4 10637 B11R1.995 C/C=C/CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100102629194 [0,1,0,1,0,0|1,0,1]=4 10638 B11R1.995 C=CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000754431 [0,1,0,1,0,0|1,0,1]=4 10639 B11R1.995 C=CCNC(=O)[C@H]1CC1(C)C 1626a_100020586998_100000692687 [0,1,0,1,0,0|1,0,1]=4 10640 B11R1.995 C=CCNC(=O)[C@H]1CC1(C)C 240690a_100020586998_100000692687 [0,1,0,1,0,0|1,0,1]=4 10641 B11R1.995 C=CCNC(=O)[C@H]1CC1(C)C 527a_100020586998_100000692687 [0,1,0,1,0,0|1,0,1]=4 10642 B11R1.995 CC#CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000748600 [0,1,0,1,0,0|1,0,1]=4 10643 B11R1.995 CC1(C[C@@H]1C(=O)CCC#N)C 1458a_100000692687_100011215226 [0,1,0,1,0,0|1,0,1]=4 10644 B11R1.995 CC1(C[C@@H]1C(=O)CCCF)C 1458a_100000692687_100011934791 [0,1,0,1,0,0|1,0,0]=3 10645 B11R1.995 CC1(C[C@@H]1C(=O)CCCO)C 1458a_100000692687_100011215043 [0,1,0,1,0,0|1,0,0]=3 10646 B11R1.995 CC1(C[C@@H]1C(=O)NCC#N)C 1626a_100000734998_100000692687 [0,1,0,1,0,0|1,0,1]=4 10647 B11R1.995 CC1(C[C@@H]1C(=O)NCC#N)C 527a_100000734998_100000692687 [0,1,0,1,0,0|1,0,1]=4 10648 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 11a_100000724931_100000692687 [0,1,0,1,0,0|1,0,0]=3 10649 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 1626a_100000724931_100000692687 [0,1,0,1,0,0|1,0,0]=3 10650 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 240690a_100000724931_100000692687 [0,1,0,1,0,0|1,0,0]=3 10651 B11R1.995 CC1(C[C@@H]1C(=O)NCCF)C 527a_100000724931_100000692687 [0,1,0,1,0,0|1,0,0]=3 10652 B11R1.995 CC1(C[C@@H]1C(=O)NCCO)C 240690a_100000210304_100000692687 [0,1,0,1,0,0|1,0,0]=3 10653 B11R1.995 CC1(C[C@@H]1C(=O)NCCO)C 527a_100000210304_100000692687 [0,1,0,1,0,0|1,0,0]=3 10654 B11R1.995 CC=CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000070051 [0,1,0,1,0,0|1,0,1]=4 10655 B11R1.995 CC=NNC(=O)C1CC1(C)C 4a_100015187539_200000210099 [0,1,0,1,0,0|1,0,1]=4 10656 B11R1.995 CCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210211 [0,1,0,1,0,0|1,0,0]=3 10657 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 11a_100020643023_100000692687 [0,1,0,1,0,0|1,0,0]=3 10658 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 1626a_100020643023_100000692687 [0,1,0,1,0,0|1,0,0]=3 10659 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 240690a_100020643023_100000692687 [0,1,0,1,0,0|1,0,0]=3 10660 B11R1.995 CCCNC(=O)[C@H]1CC1(C)C 527a_100020643023_100000692687 [0,1,0,1,0,0|1,0,0]=3 10661 B11R1.995 CCNNC(=O)[C@H]1CC1(C)C 22a_100000756455_100000692687 [0,1,0,1,0,0|1,0,0]=3 10662 B11R1.995 COCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000233755 [0,1,0,1,0,0|1,0,0]=3 10663 B11R1.995 CSCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000751147 [0,1,0,1,0,0|1,0,0]=3 10664 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000210714_100000210206 [0,1,0,1,0,0|1,0,1]=4 10665 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000212225_200011216234 [0,1,0,1,0,0|1,0,1]=4 10666 B11R1.20 CC1CCC(CC1)OC(C)C 7a_100000210714_100000210206 [0,1,0,1,0,0|1,0,1]=4 10667 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [0,1,0,1,0,0|1,0,1]=4 10668 B11R1.485 CC(=CC(=O)CCC1CC1)C 1458a_100000211388_100000694398 [0,1,0,1,0,0|1,0,1]=4 10669 B11R1.485 CC(=CC(=O)CCC1CC1)Cl 1458a_200042562850_100000694398 [0,1,0,1,0,0|1,0,1]=4 10670 B11R1.485 CC(=CC(=O)CCC1CC1)I 1458a_100025716642_100000694398 [0,1,0,1,0,0|1,0,1]=4 10671 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,1,0,1,0,0|1,0,0]=3 10672 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,1,0,1,0,0|1,0,0]=3 10673 B11R1.485 CC(C)CC(=O)CCC1CO1 1458a_100000210554_100000732470 [0,1,0,1,0,0|2,0,0]=4 10674 B11R1.485 CC(C)CC(=O)NCC1CC1 11a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 10675 B11R1.485 CC(C)CC(=O)NCC1CC1 1626a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 10676 B11R1.485 CC(C)CC(=O)NCC1CC1 240690a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 10677 B11R1.485 CC(C)CC(=O)NCC1CC1 527a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 10678 B11R1.485 CC(C)NC(=O)CCC1CC1 11a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 10679 B11R1.485 CC(C)NC(=O)CCC1CC1 1626a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 10680 B11R1.485 CC(C)NC(=O)CCC1CC1 240690a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 10681 B11R1.485 CC(C)NC(=O)CCC1CC1 527a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 10682 B11R1.485 CC(C)NC(=O)CNC1CC1 34a_100000212008_100000183996 [0,1,0,1,0,0|2,0,0]=4 10683 B11R1.485 CC(C)NC(=O)CSC1CC1 62a_100000183996_100000211595 [0,1,0,1,0,0|2,0,0]=4 10684 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100000735609_100138425928 [0,1,0,1,0,0|2,0,0]=4 10685 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100138425928_100000735609 [0,1,0,1,0,0|2,0,0]=4 10686 B11R1.485 CC(C)NC(=O)NCC1CC1 273464a_100138425928_100000735609 [0,1,0,1,0,0|2,0,0]=4 10687 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100000735609_100138425928 [0,1,0,1,0,0|2,0,0]=4 10688 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100138425928_100000735609 [0,1,0,1,0,0|2,0,0]=4 10689 B11R1.485 CC(C)OC(=O)CNC1CC1 34a_100000212008_100011215430 [0,1,0,1,0,0|1,0,0]=3 10690 B11R1.485 CC(C)OC(=O)CSC1CC1 62a_100011215430_100000211595 [0,1,0,1,0,0|1,0,0]=3 10691 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [0,1,0,1,0,0|1,0,0]=3 10692 B11R1.485 CN(C)CC(=O)CCC1CC1 1458a_100000750896_100000694398 [0,1,0,1,0,0|2,0,0]=4 10693 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [0,1,0,1,0,0|1,0,0]=3 10694 B11R1.485 C[C@@H](O)CC(=O)CCC1CO1 1458a_100011933948_100000732470 [0,1,0,1,0,0|2,0,0]=4 10695 B11R1.485 C[C@@H](O)CC(=O)NCC1CC1 240690a_100000735609_100011933948 [0,1,0,1,0,0|2,0,0]=4 10696 B11R1.485 C[S+](C)CC(=O)CCC1CC1 1458a_200159257847_100000694398 [0,1,0,1,0,0|2,0,0]=4 10697 B11R1.485 O=C(CCC1CC1)CC(F)F 1458a_100000756386_100011934356 [0,1,0,1,0,0|2,0,0]=4 10698 B11R1.489 CC(=O)C1CC(=O)OC1(C)C 1458a_100000034619_200000210301 [0,1,0,1,0,0|1,0,1]=4 10699 B11R1.489 CC1(OC(=O)CC1C(=O)[13CH3])C 1458a_100000034619_200025704644 [0,1,0,1,0,0|1,0,1]=4 10700 B11R1.1263 C=C(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000748629 [0,1,0,1,0,0|1,0,1]=4 10701 B11R1.1263 CC(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210624 [0,1,0,1,0,0|1,0,0]=3 10702 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 11a_100138425928_100000692687 [0,1,0,1,0,0|1,0,0]=3 10703 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 1626a_100138425928_100000692687 [0,1,0,1,0,0|1,0,0]=3 10704 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 240690a_100138425928_100000692687 [0,1,0,1,0,0|1,0,0]=3 10705 B11R1.1263 CC(C)NC(=O)[C@H]1CC1(C)C 527a_100138425928_100000692687 [0,1,0,1,0,0|1,0,0]=3 10706 B11R1.1263 CC(O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011218427 [0,1,0,1,0,0|1,0,0]=3 10707 B11R1.1263 CC1(C[C@@H]1C(=O)CC(F)F)C 1458a_100000692687_100011934356 [0,1,0,1,0,0|2,0,0]=4 10708 B11R1.23 CC(C#N)N1CCOC(=O)C1 2230a_100000131268_100000184139 [0,1,0,1,0,0|1,0,1]=4 10709 B11R1.23 CC(CO)N1CCNC(=O)C1 2230a_100000184651_100012180447 [0,1,0,1,0,0|2,0,0]=4 10710 B11R1.23 CC(CO)N1CCOC(=O)C1 2230a_100000131268_100012180447 [0,1,0,1,0,0|1,0,0]=3 10711 B11R1.23 CCC(C)N1CCNC(=O)C1 2230a_100000184651_100000758301 [0,1,0,1,0,0|2,0,0]=4 10712 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,1,0,1,0,0|1,0,0]=3 10713 B11R1.83 CCOC1CCC(CC1)CC 34a_100011215326_100000210202 [0,1,0,1,0,0|1,0,1]=4 10714 B11R1.83 CCOC1CCC(CC1)CC 7a_100011215326_100000210202 [0,1,0,1,0,0|1,0,1]=4 10715 B11R1.83 CCOC1CCC(CC1)NC 270004a_106832991635_100012183323 [0,1,0,1,0,0|1,0,1]=4 10716 B11R1.83 CCOC1CCC(CC1)OC 34a_100011581665_100000210202 [0,1,0,1,0,0|1,0,1]=4 10717 B11R1.83 CCOC1CCC(CC1)OC 7a_100011581665_100000210202 [0,1,0,1,0,0|1,0,1]=4 10718 B11R1.83 CCO[C@H]1CC[C@H](CC1)NC 34a_100020636401_100000210202 [0,1,0,1,0,0|1,0,1]=4 10719 B11R1.228 C#CC(C)NC1CCOC1=O 2230a_100000707721_100000211211 [0,1,0,1,0,0|1,0,1]=4 10720 B11R1.228 C#CC(C)NC1CCOC1=O 34a_100000707721_100000211211 [0,1,0,1,0,0|1,0,1]=4 10721 B11R1.228 C#CC(C)SC1CCOC1=O 62a_200000035995_100000211211 [0,1,0,1,0,0|1,0,1]=4 10722 B11R1.228 C#C[C@@H](C)OC1CCOC1=O 34a_100009815206_100000211211 [0,1,0,1,0,0|1,0,1]=4 10723 B11R1.228 C#C[C@@H](C)OC1CCOC1=O 7a_100009815206_100000211211 [0,1,0,1,0,0|1,0,1]=4 10724 B11R1.228 C=CC(C)OC1CCOC1=O 34a_100000695699_100000211211 [0,1,0,1,0,0|1,0,1]=4 10725 B11R1.228 C=CC(C)SC1CCOC1=O 62a_100011215867_100000211211 [0,1,0,1,0,0|1,0,1]=4 10726 B11R1.228 CC(C#N)NC1CCOC1=O 2230a_100000737613_100000211211 [0,1,0,1,0,0|1,0,1]=4 10727 B11R1.228 CC(C#N)OC1CCOC1=O 34a_100011218135_100000211211 [0,1,0,1,0,0|1,0,1]=4 10728 B11R1.228 CC(C#N)SC1CCOC1=O 62a_100000211211_100000703298 [0,1,0,1,0,0|1,0,1]=4 10729 B11R1.228 CC(C#N)SC1CCOC1=O 62a_100000703298_100000211211 [0,1,0,1,0,0|1,0,1]=4 10730 B11R1.228 CC(CF)OC1CCCC1=O 34a_100016041109_100000709159 [0,1,0,1,0,0|2,0,0]=4 10731 B11R1.228 CC(CF)OC1CCCC1=O 7a_100016041109_100000211823 [0,1,0,1,0,0|2,0,0]=4 10732 B11R1.228 CC(CF)OC1CCOC1=O 34a_100016041109_100000211211 [0,1,0,1,0,0|1,0,0]=3 10733 B11R1.228 CC(CF)OC1CCOC1=O 7a_100016041109_100000211211 [0,1,0,1,0,0|1,0,0]=3 10734 B11R1.228 CC(CN)OC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|2,0,0]=4 10735 B11R1.228 CC(CN)OC1CCOC1=O 34a_100000210904_100000211211 [0,1,0,1,0,0|1,0,0]=3 10736 B11R1.228 CC(CO)NC1CCNC1=O 2230a_100016995588_100012180447 [0,1,0,1,0,0|2,0,0]=4 10737 B11R1.228 CC(CO)NC1CCNC1=O 34a_100016995588_100012180447 [0,1,0,1,0,0|2,0,0]=4 10738 B11R1.228 CC(CO)OC1CCCC1=O 34a_200000719330_100012180447 [0,1,0,1,0,0|2,0,0]=4 10739 B11R1.228 CC(CO)O[C@H]1CCNC1=O 34a_100000688343_100012180447 [0,1,0,1,0,0|2,0,0]=4 10740 B11R1.228 CC(CO)SC1CCCC1=O 62a_100012180447_100000211823 [0,1,0,1,0,0|2,0,0]=4 10741 B11R1.228 CC(CO)SC1CCOC1=O 62a_100012180447_100000211211 [0,1,0,1,0,0|1,0,0]=3 10742 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,1,0,1,0,0|2,0,0]=4 10743 B11R1.228 CCC(C)NC1CCNC1=O 2230a_100016995588_100000758301 [0,1,0,1,0,0|2,0,0]=4 10744 B11R1.228 CCC(C)NC1CCNC1=O 34a_100016995588_100011215416 [0,1,0,1,0,0|2,0,0]=4 10745 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,1,0,1,0,0|1,0,0]=3 10746 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [0,1,0,1,0,0|2,0,0]=4 10747 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [0,1,0,1,0,0|2,0,0]=4 10748 B11R1.228 CCC(C)OC1CCOC1=O 7a_100000210228_100000211211 [0,1,0,1,0,0|1,0,0]=3 10749 B11R1.228 CCC(C)O[C@H]1CCNC1=O 34a_100000688343_100011215416 [0,1,0,1,0,0|2,0,0]=4 10750 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [0,1,0,1,0,0|2,0,0]=4 10751 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [0,1,0,1,0,0|2,0,0]=4 10752 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000211211_100000758301 [0,1,0,1,0,0|1,0,0]=3 10753 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000758301_100000211211 [0,1,0,1,0,0|1,0,0]=3 10754 B11R1.228 COC(C)SC1CCCC1=O 62a_100000211823_100009879195 [0,1,0,1,0,0|2,0,0]=4 10755 B11R1.228 COC(C)SC1CCCC1=O 62a_100009879195_100000211823 [0,1,0,1,0,0|2,0,0]=4 10756 B11R1.228 COC(C)SC1CCOC1=O 62a_100000211211_100009879195 [0,1,0,1,0,0|1,0,0]=3 10757 B11R1.228 COC(C)SC1CCOC1=O 62a_100009879195_100000211211 [0,1,0,1,0,0|1,0,0]=3 10758 B11R1.228 C[C@H](CO)NC1CCCC1=O 2230a_100000737577_100000211823 [0,1,0,1,0,0|2,0,0]=4 10759 B11R1.228 C[C@H](CO)NC1CCOC1=O 2230a_100000737577_100000211211 [0,1,0,1,0,0|1,0,0]=3 10760 B11R1.228 C[C@H](CO)SC1CCCC1=O 62a_100000211823_100016084084 [0,1,0,1,0,0|2,0,0]=4 10761 B11R1.228 C[C@H](CO)SC1CCCC1=O 62a_100016084084_100000211823 [0,1,0,1,0,0|2,0,0]=4 10762 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100000211211_100016084084 [0,1,0,1,0,0|1,0,0]=3 10763 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100016084084_100000211211 [0,1,0,1,0,0|1,0,0]=3 10764 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,1,0,1,0,0|2,0,0]=4 10765 B11R1.289 CCCC(=O)CNC1COC1 2230a_100016991112_100000747444 [0,1,0,1,0,0|2,0,0]=4 10766 B11R1.289 CCCC(=O)COC1CSC1 7a_100000072292_100000747444 [0,1,0,1,0,0|2,0,0]=4 10767 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,1,0,1,0,0|2,0,0]=4 10768 B11R1.289 CCCC(=O)CSC1COC1 62a_100000747444_100009818527 [0,1,0,1,0,0|2,0,0]=4 10769 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 10770 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 10771 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 10772 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 10773 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 10774 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 10775 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 10776 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 10777 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 10778 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 10779 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 10780 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 10781 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [0,1,0,1,0,0|2,0,0]=4 10782 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [0,1,0,1,0,0|2,0,0]=4 10783 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [0,1,0,1,0,0|2,0,0]=4 10784 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [0,1,0,1,0,0|2,0,0]=4 10785 B11R1.289 CCNC(=O)CNC1COC1 2230a_100016991112_100000183381 [0,1,0,1,0,0|2,0,0]=4 10786 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,1,0,1,0,0|2,0,0]=4 10787 B11R1.289 CCNC(=O)COC1CSC1 7a_100000072292_100000183381 [0,1,0,1,0,0|2,0,0]=4 10788 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [0,1,0,1,0,0|2,0,0]=4 10789 B11R1.289 CCNC(=O)CSC1COC1 62a_100000183381_100009818527 [0,1,0,1,0,0|2,0,0]=4 10790 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,1,0,1,0,0|2,0,0]=4 10791 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,1,0,1,0,0|2,0,0]=4 10792 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,1,0,1,0,0|2,0,0]=4 10793 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,1,0,1,0,0|2,0,0]=4 10794 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,1,0,1,0,0|2,0,0]=4 10795 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,1,0,1,0,0|2,0,0]=4 10796 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 10797 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 10798 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 10799 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 10800 B11R1.289 CCNC(=O)NCC1COC1 512a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 10801 B11R1.289 CCNC(=O)NCC1COC1 512a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 10802 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 10803 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 10804 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 10805 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 10806 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 10807 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 10808 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,1,0,1,0,0|1,0,0]=3 10809 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,1,0,1,0,0|1,0,0]=3 10810 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,1,0,1,0,0|1,0,0]=3 10811 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [0,1,0,1,0,0|1,0,0]=3 10812 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,1,0,1,0,0|1,0,0]=3 10813 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [0,1,0,1,0,0|1,0,0]=3 10814 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,1,0,1,0,0|1,0,0]=3 10815 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [0,1,0,1,0,0|1,0,0]=3 10816 B11R1.338 CCCC(=O)CNC1(CC1)C 2230a_100000757604_100000747444 [0,1,0,1,0,0|2,0,0]=4 10817 B11R1.338 CCCC(=O)COC1(CC1)C 7a_100011725673_100000747444 [0,1,0,1,0,0|2,0,0]=4 10818 B11R1.338 CCCC(=O)NCC1(CC1)C 11a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 10819 B11R1.338 CCCC(=O)NCC1(CC1)C 1626a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 10820 B11R1.338 CCCC(=O)NCC1(CC1)C 240690a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 10821 B11R1.338 CCCC(=O)NCC1(CC1)C 527a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 10822 B11R1.338 CCCC(=O)NCC1(CC1)O 11a_100011936951_100000211992 [0,1,0,1,0,0|2,0,0]=4 10823 B11R1.338 CCCC(=O)NCC1(CC1)O 240690a_100011936951_100000211992 [0,1,0,1,0,0|2,0,0]=4 10824 B11R1.338 CCCC(=O)NCC1(CC1)O 527a_100011936951_100000211992 [0,1,0,1,0,0|2,0,0]=4 10825 B11R1.338 CCNC(=O)CNC1(CC1)C 2230a_100000757604_100000183381 [0,1,0,1,0,0|2,0,0]=4 10826 B11R1.338 CCNC(=O)COC1(CC1)C 7a_100011725673_100000183381 [0,1,0,1,0,0|2,0,0]=4 10827 B11R1.338 CCNC(=O)NCC1(CC1)C 2708a_100000766693_100015525214 [0,1,0,1,0,0|2,0,0]=4 10828 B11R1.338 CCNC(=O)NCC1(CC1)C 2708a_100015525214_100000766693 [0,1,0,1,0,0|2,0,0]=4 10829 B11R1.338 CCNC(=O)NCC1(CC1)C 273464a_100000766693_100015525214 [0,1,0,1,0,0|2,0,0]=4 10830 B11R1.338 CCNC(=O)NCC1(CC1)C 273464a_100015525214_100000766693 [0,1,0,1,0,0|2,0,0]=4 10831 B11R1.338 CCNC(=O)NCC1(CC1)C 512a_100000766693_100015525214 [0,1,0,1,0,0|2,0,0]=4 10832 B11R1.338 CCNC(=O)NCC1(CC1)C 512a_100015525214_100000766693 [0,1,0,1,0,0|2,0,0]=4 10833 B11R1.338 CCNC(=O)NCC1(CC1)O 2708a_100011936951_100015525214 [0,1,0,1,0,0|2,0,0]=4 10834 B11R1.338 CCNC(=O)NCC1(CC1)O 2708a_100015525214_100011936951 [0,1,0,1,0,0|2,0,0]=4 10835 B11R1.338 CCNC(=O)NCC1(CC1)O 273464a_100015525214_100011936951 [0,1,0,1,0,0|2,0,0]=4 10836 B11R1.338 CCNC(=O)NCC1(CC1)O 512a_100011936951_100015525214 [0,1,0,1,0,0|2,0,0]=4 10837 B11R1.338 CCNC(=O)NCC1(CC1)O 512a_100015525214_100011936951 [0,1,0,1,0,0|2,0,0]=4 10838 B11R1.338 CCOC(=O)CNC1(CC1)C 2230a_100000757604_100000188475 [0,1,0,1,0,0|1,0,0]=3 10839 B11R1.338 CCOC(=O)COC1(CC1)C 7a_100011725673_100000188475 [0,1,0,1,0,0|1,0,0]=3 10840 B11R1.524 CC(CF)OCC(=O)C1CC1 34a_100016041109_100000746382 [0,1,0,1,0,0|2,0,0]=4 10841 B11R1.524 CC(CF)OCC(=O)C1CC1 7a_100016041109_100000746382 [0,1,0,1,0,0|2,0,0]=4 10842 B11R1.524 CC(CN)OCC(=O)C1CC1 34a_100000210904_100000746382 [0,1,0,1,0,0|2,0,0]=4 10843 B11R1.524 CC(CO)CNC(=O)C1CC1 240690a_100000744482_100000210395 [0,1,0,1,0,0|2,0,0]=4 10844 B11R1.524 CC(CO)CNC(=O)C1CC1 527a_100000744482_100000210395 [0,1,0,1,0,0|2,0,0]=4 10845 B11R1.524 CC(CO)OCC(=O)C1CC1 34a_100000686663_100012180447 [0,1,0,1,0,0|2,0,0]=4 10846 B11R1.524 CC(CO)SCC(=O)C1CC1 62a_100012180447_100000746382 [0,1,0,1,0,0|2,0,0]=4 10847 B11R1.524 CCC(C)CNC(=O)C1CC1 11a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 10848 B11R1.524 CCC(C)CNC(=O)C1CC1 1626a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 10849 B11R1.524 CCC(C)CNC(=O)C1CC1 240690a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 10850 B11R1.524 CCC(C)CNC(=O)C1CC1 527a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 10851 B11R1.524 CCC(C)NCC(=O)C1CC1 2230a_100000209981_100000746382 [0,1,0,1,0,0|2,0,0]=4 10852 B11R1.524 CCC(C)OCC(=O)C1CC1 34a_100000686663_100011215416 [0,1,0,1,0,0|2,0,0]=4 10853 B11R1.524 CCC(C)OCC(=O)C1CC1 7a_100000210228_100000746382 [0,1,0,1,0,0|2,0,0]=4 10854 B11R1.524 CCC(C)SCC(=O)C1CC1 62a_100000746382_100000758301 [0,1,0,1,0,0|2,0,0]=4 10855 B11R1.524 CCC(C)SCC(=O)C1CC1 62a_100000758301_100000746382 [0,1,0,1,0,0|2,0,0]=4 10856 B11R1.524 COC(C)SCC(=O)C1CC1 62a_100000746382_100009879195 [0,1,0,1,0,0|2,0,0]=4 10857 B11R1.524 COC(C)SCC(=O)C1CC1 62a_100009879195_100000746382 [0,1,0,1,0,0|2,0,0]=4 10858 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 11a_100020591295_100000210395 [0,1,0,1,0,0|2,0,0]=4 10859 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 1626a_100020591295_100000210395 [0,1,0,1,0,0|2,0,0]=4 10860 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 240690a_100020591295_100000210395 [0,1,0,1,0,0|2,0,0]=4 10861 B11R1.524 CO[C@H](C)CNC(=O)C1CC1 527a_100020591295_100000210395 [0,1,0,1,0,0|2,0,0]=4 10862 B11R1.524 C[C@H](CO)NCC(=O)C1CC1 2230a_100000737577_100000746382 [0,1,0,1,0,0|2,0,0]=4 10863 B11R1.524 C[C@H](CO)SCC(=O)C1CC1 62a_100000746382_100016084084 [0,1,0,1,0,0|2,0,0]=4 10864 B11R1.524 C[C@H](CO)SCC(=O)C1CC1 62a_100016084084_100000746382 [0,1,0,1,0,0|2,0,0]=4 10865 B11R1.822 CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210303 [0,1,0,1,0,0|1,0,0]=3 10866 B11R1.822 CCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210303 [0,1,0,1,0,0|1,0,0]=3 10867 B11R1.822 CCCC(=O)N1CC(C1)CC 11a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 10868 B11R1.822 CCCC(=O)N1CC(C1)CC 1626a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 10869 B11R1.822 CCCC(=O)N1CC(C1)CC 240690a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 10870 B11R1.822 CCCC(=O)N1CC(C1)CC 527a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 10871 B11R1.822 CCCC(=O)N1CC(C1)CF 11a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 10872 B11R1.822 CCCC(=O)N1CC(C1)CF 240690a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 10873 B11R1.822 CCCC(=O)N1CC(C1)CF 527a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 10874 B11R1.822 CCCC(=O)N1CC(C1)CO 240690a_100016987283_100000211992 [0,1,0,1,0,0|2,0,0]=4 10875 B11R1.822 CCCC(=O)N1CC(C1)CO 527a_100016987283_100000211992 [0,1,0,1,0,0|2,0,0]=4 10876 B11R1.822 CCCC(=O)N1CC(C1)OC 11a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 10877 B11R1.822 CCCC(=O)N1CC(C1)OC 1626a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 10878 B11R1.822 CCCC(=O)N1CC(C1)OC 240690a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 10879 B11R1.822 CCCC(=O)N1CC(C1)OC 527a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 10880 B11R1.822 CCCC(=O)N1CC(C1)SC 11a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 10881 B11R1.822 CCCC(=O)N1CC(C1)SC 1626a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 10882 B11R1.822 CCCC(=O)N1CC(C1)SC 240690a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 10883 B11R1.822 CCCC(=O)N1CC(C1)SC 527a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 10884 B11R1.822 CCNC(=O)C1CC(C1)OC 11a_100015525214_100011999411 [0,1,0,1,0,0|1,0,0]=3 10885 B11R1.822 CCNC(=O)C1CC(C1)OC 240690a_100015525214_100011999411 [0,1,0,1,0,0|1,0,0]=3 10886 B11R1.822 CCNC(=O)C1CC(C1)OC 527a_100015525214_100011999411 [0,1,0,1,0,0|1,0,0]=3 10887 B11R1.822 CCNC(=O)N1CC(C1)CC 2708a_100015525214_100015205115 [0,1,0,1,0,0|2,0,0]=4 10888 B11R1.822 CCNC(=O)N1CC(C1)CC 273464a_100015525214_100015205115 [0,1,0,1,0,0|2,0,0]=4 10889 B11R1.822 CCNC(=O)N1CC(C1)CF 2708a_100015525214_100010363649 [0,1,0,1,0,0|2,0,0]=4 10890 B11R1.822 CCNC(=O)N1CC(C1)CF 273464a_100015525214_100010363649 [0,1,0,1,0,0|2,0,0]=4 10891 B11R1.822 CCNC(=O)N1CC(C1)CO 2708a_100015525214_100016987283 [0,1,0,1,0,0|2,0,0]=4 10892 B11R1.822 CCNC(=O)N1CC(C1)CO 273464a_100015525214_100016987283 [0,1,0,1,0,0|2,0,0]=4 10893 B11R1.822 CCNC(=O)N1CC(C1)OC 2708a_100015525214_100000755009 [0,1,0,1,0,0|2,0,0]=4 10894 B11R1.822 CCNC(=O)N1CC(C1)OC 273464a_100015525214_100000755009 [0,1,0,1,0,0|2,0,0]=4 10895 B11R1.822 CCNC(=O)N1CC(C1)SC 2708a_100015525214_100016990038 [0,1,0,1,0,0|2,0,0]=4 10896 B11R1.822 CCNC(=O)N1CC(C1)SC 273464a_100015525214_100016990038 [0,1,0,1,0,0|2,0,0]=4 10897 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [0,1,0,1,0,0|0,0,0]=2 10898 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [0,1,0,1,0,0|0,0,0]=2 10899 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [0,1,0,1,0,0|1,0,0]=3 10900 B11R1.822 CCOC(=O)C1CN(C1)CF 269982a_100015188541_100015361967 [0,1,0,1,0,0|1,0,0]=3 10901 B11R1.822 CNNC(=O)C1CC(C1)CO 22a_100016993582_206645079618 [0,1,0,1,0,0|2,0,0]=4 10902 B11R1.822 CNNC(=O)C1CC(C1)OC 22a_100016993582_100011999411 [0,1,0,1,0,0|2,0,0]=4 10903 B11R1.822 COC1CC(C1)C(=O)CCF 1458a_100011999411_100011217306 [0,1,0,1,0,0|2,0,0]=4 10904 B11R1.822 COC1CC(C1)C(=O)CCO 1458a_100011999411_100000211926 [0,1,0,1,0,0|2,0,0]=4 10905 B11R1.822 O=C(CCF)C1CC(C1)CO 1458a_206645079618_100011217306 [0,1,0,1,0,0|2,0,0]=4 10906 B11R1.822 O=C(CCO)C1CC(C1)CO 1458a_206645079618_100000211926 [0,1,0,1,0,0|2,0,0]=4 10907 B11R1.105 CC(C)(C)NC1CCCC1=O 2230a_100000715429_100000211823 [0,1,0,1,0,0|2,0,0]=4 10908 B11R1.105 CC(C)(C)NC1CCNC1=O 34a_100016995588_100000210625 [0,1,0,1,0,0|2,0,0]=4 10909 B11R1.105 CC(C)(C)NC1CCOC1=O 2230a_100000715429_100000211211 [0,1,0,1,0,0|1,0,0]=3 10910 B11R1.105 CC(C)(C)OC1CCCC1=O 34a_100015890283_100000709159 [0,1,0,1,0,0|2,0,0]=4 10911 B11R1.105 CC(C)(C)OC1CCCC1=O 34a_200000719330_100000210625 [0,1,0,1,0,0|2,0,0]=4 10912 B11R1.105 CC(C)(C)OC1CCCC1=O 7a_100015890283_100000211823 [0,1,0,1,0,0|2,0,0]=4 10913 B11R1.105 CC(C)(C)OC1CCOC1=O 34a_100015890283_100000211211 [0,1,0,1,0,0|1,0,0]=3 10914 B11R1.105 CC(C)(C)OC1CCOC1=O 7a_100015890283_100000211211 [0,1,0,1,0,0|1,0,0]=3 10915 B11R1.105 CC(C)(C)O[C@H]1CCNC1=O 34a_100000688343_100000210625 [0,1,0,1,0,0|2,0,0]=4 10916 B11R1.105 CC(C)(C)SC1CCCC1=O 62a_100000211823_100000211941 [0,1,0,1,0,0|2,0,0]=4 10917 B11R1.105 CC(C)(C)SC1CCCC1=O 62a_100000211941_100000211823 [0,1,0,1,0,0|2,0,0]=4 10918 B11R1.105 CC(C)(C)SC1CCOC1=O 62a_100000211211_100000211941 [0,1,0,1,0,0|1,0,0]=3 10919 B11R1.105 CC(C)(C)SC1CCOC1=O 62a_100000211941_100000211211 [0,1,0,1,0,0|1,0,0]=3 10920 B11R1.1417 CC(C)(C)CCC(=O)C1CC1 1458a_100000210395_100000755188 [0,1,0,1,0,0|1,0,0]=3 10921 B11R1.1417 CC(C)(C)CCC(=O)C1CO1 1458a_100000701028_100000755188 [0,1,0,1,0,0|2,0,0]=4 10922 B11R1.1417 CC(C)(C)CNC(=O)C1CC1 11a_100000743828_100000210395 [0,1,0,1,0,0|2,0,0]=4 10923 B11R1.1417 CC(C)(C)CNC(=O)C1CC1 1626a_100000743828_100000210395 [0,1,0,1,0,0|2,0,0]=4 10924 B11R1.1417 CC(C)(C)CNC(=O)C1CC1 240690a_100000743828_100000210395 [0,1,0,1,0,0|2,0,0]=4 10925 B11R1.1417 CC(C)(C)CNC(=O)C1CC1 527a_100000743828_100000210395 [0,1,0,1,0,0|2,0,0]=4 10926 B11R1.1417 CC(C)(C)NCC(=O)C1CC1 2230a_100000715429_100000746382 [0,1,0,1,0,0|2,0,0]=4 10927 B11R1.1417 CC(C)(C)OCC(=O)C1CC1 34a_100000686663_100000210625 [0,1,0,1,0,0|2,0,0]=4 10928 B11R1.1417 CC(C)(C)OCC(=O)C1CC1 34a_100015890283_100000746382 [0,1,0,1,0,0|2,0,0]=4 10929 B11R1.1417 CC(C)(C)OCC(=O)C1CC1 7a_100015890283_100000746382 [0,1,0,1,0,0|2,0,0]=4 10930 B11R1.1417 CC(C)(C)SCC(=O)C1CC1 62a_100000211941_100000746382 [0,1,0,1,0,0|2,0,0]=4 10931 B11R1.1417 CC(C)(C)SCC(=O)C1CC1 62a_100000746382_100000211941 [0,1,0,1,0,0|2,0,0]=4 10932 B11R1.1417 CC(C)(F)CNC(=O)C1CC1 11a_100020643315_100000210395 [0,1,0,1,0,0|2,0,0]=4 10933 B11R1.1417 CC(C)(F)CNC(=O)C1CC1 1626a_100020643315_100000210395 [0,1,0,1,0,0|2,0,0]=4 10934 B11R1.1417 CC(C)(F)CNC(=O)C1CC1 240690a_100020643315_100000210395 [0,1,0,1,0,0|2,0,0]=4 10935 B11R1.1417 CC(C)(F)CNC(=O)C1CC1 527a_100020643315_100000210395 [0,1,0,1,0,0|2,0,0]=4 10936 B11R1.1417 CC(C)(O)CNC(=O)C1CC1 1626a_100000751335_100000210395 [0,1,0,1,0,0|2,0,0]=4 10937 B11R1.1417 CC(C)(O)CNC(=O)C1CC1 240690a_100000751335_100000210395 [0,1,0,1,0,0|2,0,0]=4 10938 B11R1.1417 CC(C)(O)CNC(=O)C1CC1 527a_100000751335_100000210395 [0,1,0,1,0,0|2,0,0]=4 10939 B11R1.1417 C[N+](C)(C)CCC(=O)C1CC1 1458a_100000210395_100000085578 [0,1,0,1,0,0|2,0,0]=4 10940 B11R1.1417 C[Si](C)(C)CCC(=O)C1CC1 1458a_100000210395_200000733723 [0,1,0,1,0,0|1,1,0]=4 10941 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [0,0,0,2,0,0|2,0,0]=4 10942 B11R2.115 O=C1CCCC1OC2CC2 34a_200000719330_100000211595 [0,0,0,2,0,0|2,0,0]=4 10943 B11R2.115 O=C1CCCC1SC2CC2 62a_100000211823_100000211595 [0,0,0,2,0,0|2,0,0]=4 10944 B11R2.115 O=C1NCCC1NC2CC2 34a_100016995588_100000211595 [0,0,0,2,0,0|2,0,0]=4 10945 B11R2.115 O=C1NCC[C@@H]1OC2CC2 34a_100000688343_100000211595 [0,0,0,2,0,0|2,0,0]=4 10946 B11R2.115 O=C1OCCC1NC2CC2 34a_100000212008_100000211211 [0,0,0,2,0,0|1,0,0]=3 10947 B11R2.115 O=C1OCCC1SC2CC2 62a_100000211211_100000211595 [0,0,0,2,0,0|1,0,0]=3 10948 B11R2.862 O=C(CCC1CC1)C2CC2 1458a_100000210395_100000694398 [0,0,0,2,0,0|1,0,0]=3 10949 B11R2.862 O=C(CCC1CC1)C2CO2 1458a_100000701028_100000694398 [0,0,0,2,0,0|2,0,0]=4 10950 B11R2.862 O=C(CCC1CO1)C2CC2 1458a_100000210395_100000732470 [0,0,0,2,0,0|2,0,0]=4 10951 B11R2.862 O=C(CNC1CC1)C2CC2 34a_100000212008_100000746382 [0,0,0,2,0,0|2,0,0]=4 10952 B11R2.862 O=C(COC1CC1)C2CC2 34a_100000686663_100000211595 [0,0,0,2,0,0|2,0,0]=4 10953 B11R2.862 O=C(CSC1CC1)C2CC2 62a_100000746382_100000211595 [0,0,0,2,0,0|2,0,0]=4 10954 B11R2.862 O=C(NCC1CC1)C2CC2 11a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 10955 B11R2.862 O=C(NCC1CC1)C2CC2 1626a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 10956 B11R2.862 O=C(NCC1CC1)C2CC2 240690a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 10957 B11R2.862 O=C(NCC1CC1)C2CC2 527a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 10958 B11R2.548 CC1CN(C1)C(=O)C2CC2 11a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 10959 B11R2.548 CC1CN(C1)C(=O)C2CC2 240690a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 10960 B11R2.548 CC1CN(C1)C(=O)C2CC2 527a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 10961 B11R2.881 CCCC(=O)C12CC(C1)C2 1458a_100000137470_100000210303 [0,0,0,2,0,0|1,0,0]=3 10962 B11R2.881 CCNC(=O)C12CC(C1)C2 11a_100015525214_100000137470 [0,0,0,2,0,0|1,0,0]=3 10963 B11R2.881 CCNC(=O)C12CC(C1)C2 240690a_100015525214_100000137470 [0,0,0,2,0,0|1,0,0]=3 10964 B11R2.881 CCNC(=O)C12CC(C1)C2 527a_100015525214_100000137470 [0,0,0,2,0,0|1,0,0]=3 10965 B11R2.881 CNNC(=O)C12CC(C1)C2 22a_100016993582_100000137470 [0,0,0,2,0,0|2,0,0]=4 10966 B11R2.881 O=C(CCF)C12CC(C1)C2 1458a_100000137470_100011217306 [0,0,0,2,0,0|2,0,0]=4 10967 B11R2.881 O=C(CCO)C12CC(C1)C2 1458a_100000137470_100000211926 [0,0,0,2,0,0|2,0,0]=4 10968 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,0,0,0,1,0|0,0,2]=4 10969 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,0,0,1,0|0,0,2]=4 10970 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,0,0,0,1,0|0,0,2]=4 10971 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,0,0,0,1,0|1,0,0]=3 10972 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,0,0,1,0|1,0,0]=3 10973 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,0,0,0,1,0|1,0,1]=4 10974 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,0,0,0,1,0|1,0,1]=4 10975 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,0,0,0,1,0|2,0,0]=4 10976 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,0,0,0,1,0|2,0,0]=4 10977 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,0,0,0,1,0|2,0,0]=4 10978 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,1,0|0,0,2]=4 10979 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,1,0|1,0,1]=4 10980 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,0,0,1,0|0,0,0]=2 10981 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,0,0,1,0|0,0,0]=2 10982 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,0,0,1,0|1,0,0]=3 10983 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,0,0,0,1,0|2,0,0]=4 10984 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,0,0,0,1,0|1,0,0]=3 10985 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,0,0,0,1,0|1,0,0]=3 10986 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,0,0,1,0|1,0,0]=3 10987 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,0,0,0,1,0|1,0,0]=3 10988 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,0,0,0,1,0|1,0,0]=3 10989 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,0,0,0,1,0|1,0,0]=3 10990 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,0,0,0,1,0|1,0,0]=3 10991 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,0,0,0,1,0|1,0,0]=3 10992 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,0,0,0,1,0|2,0,0]=4 10993 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,0,0,0,1,0|2,0,0]=4 10994 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,0,0,0,1,0|2,0,0]=4 10995 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,0,0,0,1,0|2,0,0]=4 10996 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,0,0,0,1,0|2,0,0]=4 10997 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,0,0,0,1,0|2,0,0]=4 10998 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,0,0,0,1,0|2,0,0]=4 10999 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,0,0,0,1,0|2,0,0]=4 11000 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,0,0,0,1,0|2,0,0]=4 11001 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,0,0,0,1,0|1,0,0]=3 11002 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,0,0,0,1,0|1,0,0]=3 11003 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,0,0,0,1,0|1,0,0]=3 11004 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,0,0,0,1,0|1,0,0]=3 11005 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,0,0,0,1,0|2,0,0]=4 11006 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,0,0,0,1,0|2,0,0]=4 11007 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,0,0,0,1,0|2,0,0]=4 11008 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,0,0,0,1,0|2,0,0]=4 11009 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,0,0,0,1,0|2,0,0]=4 11010 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,0,0,0,1,0|2,0,0]=4 11011 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,0,0,0,1,0|2,0,0]=4 11012 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,0,0,0,1,0|2,0,0]=4 11013 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,0,0,0,1,0|2,0,0]=4 11014 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,0,0,0,1,0|2,0,0]=4 11015 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,0,0,0,1,0|2,0,0]=4 11016 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,0,0,0,1,0|2,0,0]=4 11017 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,0,0,0,1,0|2,0,0]=4 11018 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,0,0,0,1,0|2,0,0]=4 11019 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,0,0,0,1,0|2,0,0]=4 11020 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,0,0,0,1,0|2,0,0]=4 11021 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,0,0,0,1,0|2,0,0]=4 11022 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,1,0|1,0,1]=4 11023 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,1,0|1,0,1]=4 11024 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,1,0|1,0,1]=4 11025 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,0,0,0,1,0|1,0,0]=3 11026 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,0,0,0,1,0|1,0,0]=3 11027 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,0,0,0,1,0|1,0,0]=3 11028 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,0,0,0,1,0|1,0,0]=3 11029 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,0,0,0,1,0|1,0,1]=4 11030 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,0,0,0,1,0|1,0,1]=4 11031 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,0,0,0,1,0|1,0,1]=4 11032 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,0,0,0,1,0|2,0,0]=4 11033 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,0,0,0,1,0|2,0,0]=4 11034 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,0,0,0,2,0|1,0,1]=4 11035 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,0,0,0,2,0|2,0,0]=4 11036 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,0,0,0,2,0|2,0,0]=4 11037 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,0,0,0,2,0|2,0,0]=4 11038 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,0,0,0,2,0|2,0,0]=4 11039 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,0,0,0,2,0|2,0,0]=4 11040 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,0,0,0,2,0|1,0,1]=4 11041 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,0,0,2,0|1,0,0]=3 11042 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,0,0,2,0|1,0,0]=3 11043 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,0,0,2,0|2,0,0]=4 11044 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,0,0,2,0|2,0,0]=4 11045 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,0,0,2,0|2,0,0]=4 11046 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,0,0,2,0|2,0,0]=4 11047 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,0,0,2,0|2,0,0]=4 11048 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,2,0|2,0,0]=4 11049 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,2,0|2,0,0]=4 11050 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,0,0,2,0|1,0,0]=3 11051 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,0,0,2,0|1,0,0]=3 11052 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,0,0,2,0|1,0,0]=3 11053 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,0,0,2,0|2,0,0]=4 11054 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,0,0,2,0|2,0,0]=4 11055 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,0,0,2,0|2,0,0]=4 11056 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,0,0,0,2,0|2,0,0]=4 11057 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,0,0,2,0|2,0,0]=4 11058 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,0,0,2,0|2,0,0]=4 11059 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,0,0,2,0|1,0,1]=4 11060 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,0,0,0,2,0|2,0,0]=4 11061 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,0,0,0,2,0|2,0,0]=4 11062 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,0,0,0,2,0|2,0,0]=4 11063 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,0,0,0,2,0|2,0,0]=4 11064 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,0,0,0,2,0|2,0,0]=4 11065 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,0,0,0,2,0|2,0,0]=4 11066 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,0,0,0,2,0|2,0,0]=4 11067 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,0,0,0,2,0|2,0,0]=4 11068 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,0,0,0,2,0|2,0,0]=4 11069 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,0,0,0,0,2|0,0,2]=4 11070 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,0,0,0,0,2|0,0,2]=4 11071 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,0,0,0,0,2|0,0,2]=4 11072 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,0,0,0,0,2|0,0,2]=4 11073 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,0,0,0,0,2|0,0,2]=4 11074 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,0,0,0,0,2|0,0,2]=4 11075 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,0,0,0,0,2|0,0,2]=4 11076 B11R0.176 C=COC(=O)COCCC(C)C 34a_100000210254_100000036128 [0,0,0,0,0,2|0,0,2]=4 11077 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000036128_100000210312 [0,0,0,0,0,2|0,0,2]=4 11078 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000210312_100000036128 [0,0,0,0,0,2|0,0,2]=4 11079 B11R0.176 C=COC(=O)CSCOC(C)C 62a_100000036128_100000709892 [0,0,0,0,0,2|0,0,2]=4 11080 B11R0.176 C=COC(=O)CSCOC(C)C 62a_100000709892_100000036128 [0,0,0,0,0,2|0,0,2]=4 11081 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [0,0,0,0,0,2|1,0,1]=4 11082 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,0,0,0,0,2|2,0,0]=4 11083 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,0,0,0,0,2|2,0,0]=4 11084 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,0,0,0,0,2|2,0,0]=4 11085 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,0,0,0,0,2|2,0,0]=4 11086 B11R0.176 CC(C)CCOCC(=O)NCO 34a_100000210254_100000185155 [0,0,0,0,0,2|2,0,0]=4 11087 B11R0.176 CC(C)CCOCC(=O)NCO 7a_100000210254_100000185155 [0,0,0,0,0,2|2,0,0]=4 11088 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000185155_100000210312 [0,0,0,0,0,2|2,0,0]=4 11089 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000210312_100000185155 [0,0,0,0,0,2|2,0,0]=4 11090 B11R0.176 CC(C)OCCNC(=O)CCO 240690a_100000701111_100011216618 [0,0,0,0,0,2|2,0,0]=4 11091 B11R0.176 CC(C)OCSCC(=O)NCO 62a_100000185155_100000709892 [0,0,0,0,0,2|2,0,0]=4 11092 B11R0.176 CC(C)OCSCC(=O)NCO 62a_100000709892_100000185155 [0,0,0,0,0,2|2,0,0]=4 11093 B11R0.176 CC(C)SCCNC(=O)CCO 240690a_100000731138_100011216618 [0,0,0,0,0,2|2,0,0]=4 11094 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,0,0,0,0,2|1,0,1]=4 11095 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [0,0,0,0,0,2|1,0,1]=4 11096 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [0,0,0,0,0,2|1,0,1]=4 11097 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [0,0,0,0,0,2|1,0,1]=4 11098 B11R0.176 CC=CC(=O)NCCOC(C)C 11a_100000701111_100000210699 [0,0,0,0,0,2|1,0,1]=4 11099 B11R0.176 CC=CC(=O)NCCOC(C)C 1626a_100000701111_100000210699 [0,0,0,0,0,2|1,0,1]=4 11100 B11R0.176 CC=CC(=O)NCCOC(C)C 240690a_100000701111_100000210699 [0,0,0,0,0,2|1,0,1]=4 11101 B11R0.176 CC=CC(=O)NCCSC(C)C 11a_100000731138_100000210699 [0,0,0,0,0,2|1,0,1]=4 11102 B11R0.176 CC=CC(=O)NCCSC(C)C 1626a_100000731138_100000210699 [0,0,0,0,0,2|1,0,1]=4 11103 B11R0.176 CC=CC(=O)NCCSC(C)C 240690a_100000731138_100000210699 [0,0,0,0,0,2|1,0,1]=4 11104 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,0,0,0,0,2|1,0,0]=3 11105 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,0,0,0,0,2|1,0,0]=3 11106 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,0,0,0,0,2|2,0,0]=4 11107 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,0,0,0,0,2|1,0,0]=3 11108 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [0,0,0,0,0,2|1,0,1]=4 11109 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [0,0,0,0,0,2|1,0,1]=4 11110 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,0,0,0,0,2|1,0,0]=3 11111 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,0,0,0,0,2|1,0,0]=3 11112 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,0,0,0,0,2|2,0,0]=4 11113 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,0,0,0,0,2|2,0,0]=4 11114 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,0,0,0,0,2|2,0,0]=4 11115 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000709892_100000747444 [0,0,0,0,0,2|1,0,0]=3 11116 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000747444_100000709892 [0,0,0,0,0,2|1,0,0]=3 11117 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,0,0,0,0,2|1,0,0]=3 11118 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,0,0,0,0,2|1,0,0]=3 11119 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,0,0,0,0,2|1,0,0]=3 11120 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,0,0,0,0,2|1,0,0]=3 11121 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,0,0,0,0,2|2,0,0]=4 11122 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,0,0,0,0,2|2,0,0]=4 11123 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,0,0,0,0,2|1,0,0]=3 11124 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,0,0,0,0,2|1,0,0]=3 11125 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,0,0,0,0,2|1,0,0]=3 11126 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,0,0,0,0,2|1,0,0]=3 11127 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,0,0,0,0,2|1,0,0]=3 11128 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,0,0,0,0,2|1,0,0]=3 11129 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,0,0,0,0,2|1,0,0]=3 11130 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,0,0,0,0,2|1,0,0]=3 11131 B11R0.176 CCCC(=O)NN=CCC(C)C 4a_100000189770_100000185833 [0,0,0,0,0,2|1,0,1]=4 11132 B11R0.176 CCCC(=O)NNCCN(C)C 22a_100000738145_100000211992 [0,0,0,0,0,2|2,0,0]=4 11133 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,0,0,0,0,2|1,0,0]=3 11134 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,0,0,0,0,2|1,0,0]=3 11135 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,0,0,0,0,2|2,0,0]=4 11136 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,0,0,0,0,2|2,0,0]=4 11137 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,0,0,0,0,2|2,0,0]=4 11138 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,0,0,0,0,2|1,0,0]=3 11139 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,0,0,0,0,2|2,0,0]=4 11140 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,0,0,0,0,2|2,0,0]=4 11141 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,0,0,0,0,2|2,0,0]=4 11142 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,0,0,0,0,2|1,0,0]=3 11143 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,0,0,0,0,2|2,0,0]=4 11144 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,0,0,0,0,2|2,0,0]=4 11145 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,0,0,0,0,2|1,0,0]=3 11146 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,0,0,0,0,2|1,0,0]=3 11147 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,0,0,0,0,2|1,0,0]=3 11148 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [0,0,0,0,0,2|2,0,0]=4 11149 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [0,0,0,0,0,2|2,0,0]=4 11150 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [0,0,0,0,0,2|2,0,0]=4 11151 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [0,0,0,0,0,2|1,0,0]=3 11152 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [0,0,0,0,0,2|1,0,0]=3 11153 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [0,0,0,0,0,2|1,0,0]=3 11154 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,0,0,0,0,2|2,0,0]=4 11155 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,0,0,0,0,2|2,0,0]=4 11156 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,0,0,0,0,2|2,0,0]=4 11157 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [0,0,0,0,0,2|1,0,0]=3 11158 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [0,0,0,0,0,2|1,0,0]=3 11159 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,0,0,0,0,2|2,0,0]=4 11160 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,0,0,0,0,2|2,0,0]=4 11161 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,0,0,0,0,2|2,0,0]=4 11162 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,0,0,0,0,2|2,0,0]=4 11163 B11R0.176 CCNC(=O)CNCC=C(C)C 2230a_100016988866_100000761012 [0,0,0,0,0,2|1,0,1]=4 11164 B11R0.176 CCNC(=O)CNCC=C(C)C 34a_100000718196_100000183381 [0,0,0,0,0,2|1,0,1]=4 11165 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [0,0,0,0,0,2|1,0,0]=3 11166 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,0,0,0,0,2|2,0,0]=4 11167 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,0,0,0,0,2|2,0,0]=4 11168 B11R0.176 CCNC(=O)CNCOC(C)C 2230a_100016988866_100000709892 [0,0,0,0,0,2|1,0,0]=3 11169 B11R0.176 CCNC(=O)COCC=C(C)C 34a_100000753907_100000183381 [0,0,0,0,0,2|1,0,1]=4 11170 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,0,0,0,0,2|2,0,0]=4 11171 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,0,0,0,0,2|1,0,0]=3 11172 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,0,0,0,0,2|1,0,0]=3 11173 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,0,0,0,0,2|2,0,0]=4 11174 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000183381_100000761012 [0,0,0,0,0,2|1,0,1]=4 11175 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000761012_100000183381 [0,0,0,0,0,2|1,0,1]=4 11176 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [0,0,0,0,0,2|1,0,0]=3 11177 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [0,0,0,0,0,2|1,0,0]=3 11178 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,0,0,0,0,2|2,0,0]=4 11179 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,0,0,0,0,2|2,0,0]=4 11180 B11R0.176 CCNC(=O)CSCCN(C)C 62a_100000183381_100000755713 [0,0,0,0,0,2|2,0,0]=4 11181 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000183381_100000709892 [0,0,0,0,0,2|1,0,0]=3 11182 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000709892_100000183381 [0,0,0,0,0,2|1,0,0]=3 11183 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,0,0,0,0,2|1,0,0]=3 11184 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,0,0,0,0,2|1,0,0]=3 11185 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,0,0,0,0,2|1,0,0]=3 11186 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,0,0,0,0,2|1,0,0]=3 11187 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,0,0,0,0,2|1,0,0]=3 11188 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,0,0,0,0,2|1,0,0]=3 11189 B11R0.176 CCNC(=O)NCCCN(C)C 2708a_100015525214_102531767803 [0,0,0,0,0,2|2,0,0]=4 11190 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_100015525214_102531767803 [0,0,0,0,0,2|2,0,0]=4 11191 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_102531767803_100015525214 [0,0,0,0,0,2|2,0,0]=4 11192 B11R0.176 CCNC(=O)NCCCN(C)C 512a_100015525214_102531767803 [0,0,0,0,0,2|2,0,0]=4 11193 B11R0.176 CCNC(=O)NCCCN(C)C 512a_102531767803_100015525214 [0,0,0,0,0,2|2,0,0]=4 11194 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100000701111_100015525214 [0,0,0,0,0,2|1,0,0]=3 11195 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100015525214_100000701111 [0,0,0,0,0,2|1,0,0]=3 11196 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100000701111_100015525214 [0,0,0,0,0,2|1,0,0]=3 11197 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100015525214_100000701111 [0,0,0,0,0,2|1,0,0]=3 11198 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100000701111_100015525214 [0,0,0,0,0,2|1,0,0]=3 11199 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100015525214_100000701111 [0,0,0,0,0,2|1,0,0]=3 11200 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100000731138_100015525214 [0,0,0,0,0,2|1,0,0]=3 11201 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100015525214_100000731138 [0,0,0,0,0,2|1,0,0]=3 11202 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100000731138_100015525214 [0,0,0,0,0,2|1,0,0]=3 11203 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100015525214_100000731138 [0,0,0,0,0,2|1,0,0]=3 11204 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100000731138_100015525214 [0,0,0,0,0,2|1,0,0]=3 11205 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100015525214_100000731138 [0,0,0,0,0,2|1,0,0]=3 11206 B11R0.176 CCNC(=O)NNCCN(C)C 273464a_100015525214_100000738145 [0,0,0,0,0,2|2,0,0]=4 11207 B11R0.176 CCNC(=O)NNCCN(C)C 512a_100015525214_100000738145 [0,0,0,0,0,2|2,0,0]=4 11208 B11R0.176 CCOC(=O)/C=C/CNC(C)C 2230a_100138425928_100016267167 [0,0,0,0,0,2|0,0,1]=3 11209 B11R0.176 CCOC(=O)/C=C/CNC(C)C 34a_100138425928_100016267167 [0,0,0,0,0,2|0,0,1]=3 11210 B11R0.176 CCOC(=O)/C=C/COC(C)C 34a_100000212225_100016267167 [0,0,0,0,0,2|0,0,1]=3 11211 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100000210206_100016267167 [0,0,0,0,0,2|0,0,1]=3 11212 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100016267167_100000210206 [0,0,0,0,0,2|0,0,1]=3 11213 B11R0.176 CCOC(=O)C=NNCC(C)O 4a_200000730056_100000742314 [0,0,0,0,0,2|1,0,1]=4 11214 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,0,0,0,0,2|1,0,1]=4 11215 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,0,0,0,0,2|1,0,1]=4 11216 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,0,0,0,0,2|1,0,1]=4 11217 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,0,0,0,0,2|1,0,0]=3 11218 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,0,0,0,0,2|1,0,0]=3 11219 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,0,0,0,0,2|1,0,1]=4 11220 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,0,0,0,0,2|0,0,0]=2 11221 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,0,0,0,0,2|0,0,0]=2 11222 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,0,0,0,0,2|0,0,0]=2 11223 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,0,0,0,0,2|0,0,0]=2 11224 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,0,0,0,0,2|0,0,0]=2 11225 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,0,0,0,0,2|0,0,0]=2 11226 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,0,0,0,0,2|0,0,0]=2 11227 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,0,0,0,0,2|0,0,0]=2 11228 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,0,0,0,0,2|1,0,0]=3 11229 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,0,0,0,0,2|1,0,0]=3 11230 B11R0.176 CCOC(=O)CCNCC(F)F 34a_100000765723_100000765890 [0,0,0,0,0,2|2,0,0]=4 11231 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,0,0,0,0,2|1,0,1]=4 11232 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,0,0,0,0,2|1,0,0]=3 11233 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,0,0,0,0,2|0,0,0]=2 11234 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,0,0,0,0,2|1,0,0]=3 11235 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [0,0,0,0,0,2|2,0,0]=4 11236 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,0,0,0,0,2|1,0,0]=3 11237 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,0,0,0,0,2|1,0,0]=3 11238 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,0,0,0,0,2|0,0,0]=2 11239 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,0,0,0,0,2|0,0,0]=2 11240 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,0,0,0,0,2|1,0,0]=3 11241 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,0,0,0,0,2|1,0,0]=3 11242 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100000765890_100011934356 [0,0,0,0,0,2|2,0,0]=4 11243 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100011934356_100000765890 [0,0,0,0,0,2|2,0,0]=4 11244 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,0,0,0,0,2|1,0,0]=3 11245 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,0,0,0,0,2|1,0,0]=3 11246 B11R0.176 CCOC(=O)CNCC=C(C)C 34a_100000718196_100000188475 [0,0,0,0,0,2|0,0,1]=3 11247 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,0,0,0,0,2|1,0,0]=3 11248 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,0,0,0,0,2|0,0,1]=3 11249 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,0,0,0,0,2|1,0,1]=4 11250 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,0,0,0,0,2|1,0,1]=4 11251 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,0,0,0,0,2|1,0,1]=4 11252 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,0,0,0,0,2|1,0,0]=3 11253 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,0,0,0,0,2|0,0,0]=2 11254 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,0,0,0,0,2|0,0,0]=2 11255 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,0,0,0,0,2|2,0,0]=4 11256 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,0,0,0,0,2|1,0,0]=3 11257 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,0,0,0,0,2|1,0,0]=3 11258 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,0,0,0,0,2|1,0,0]=3 11259 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000188475_100000761012 [0,0,0,0,0,2|0,0,1]=3 11260 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000761012_100000188475 [0,0,0,0,0,2|0,0,1]=3 11261 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,0,0,0,0,2|1,0,1]=4 11262 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,0,0,0,0,2|1,0,1]=4 11263 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,0,0,0,0,2|0,0,0]=2 11264 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,0,0,0,0,2|0,0,0]=2 11265 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,0,0,0,0,2|1,0,0]=3 11266 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,0,0,0,0,2|1,0,0]=3 11267 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,0,0,0,0,2|1,0,0]=3 11268 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,0,0,0,0,2|1,0,1]=4 11269 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,0,0,0,0,2|1,0,1]=4 11270 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,0,0,0,0,2|0,0,0]=2 11271 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,0,0,0,0,2|0,0,0]=2 11272 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,0,0,0,0,2|0,0,0]=2 11273 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,0,0,0,0,2|0,0,0]=2 11274 B11R0.176 CCOC(=O)NN=CCN(C)C 269982a_100102631434_100015372823 [0,0,0,0,0,2|1,0,1]=4 11275 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,0,0,0,0,2|0,0,0]=2 11276 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,0,0,0,0,2|1,0,0]=3 11277 B11R0.176 CCOC(=O)OCSCC(F)F 62a_100011934356_100000075025 [0,0,0,0,0,2|2,0,0]=4 11278 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,0,0,0,0,2|1,0,0]=3 11279 B11R0.176 CCOC(=O)[CH-]C=NNC(C)C 4a_100000741168_100010622808 [0,0,0,0,0,2|0,0,2]=4 11280 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [0,0,0,0,0,2|2,0,0]=4 11281 B11R0.176 CNNC(=O)NCCCC(C)C 273464a_200000737386_100016993582 [0,0,0,0,0,2|2,0,0]=4 11282 B11R0.176 CNNC(=O)NCCCC(C)C 512a_100016993582_200000737386 [0,0,0,0,0,2|2,0,0]=4 11283 B11R0.176 CNNC(=O)NCCCC(C)C 512a_200000737386_100016993582 [0,0,0,0,0,2|2,0,0]=4 11284 B11R0.176 CNNC(=O)NCCOC(C)C 273464a_100000701111_100016993582 [0,0,0,0,0,2|2,0,0]=4 11285 B11R0.176 CNNC(=O)NCCOC(C)C 512a_100000701111_100016993582 [0,0,0,0,0,2|2,0,0]=4 11286 B11R0.176 CNNC(=O)NCCOC(C)C 512a_100016993582_100000701111 [0,0,0,0,0,2|2,0,0]=4 11287 B11R0.176 CNNC(=O)NCCSC(C)C 273464a_100000731138_100016993582 [0,0,0,0,0,2|2,0,0]=4 11288 B11R0.176 CNNC(=O)NCCSC(C)C 512a_100000731138_100016993582 [0,0,0,0,0,2|2,0,0]=4 11289 B11R0.176 CNNC(=O)NCCSC(C)C 512a_100016993582_100000731138 [0,0,0,0,0,2|2,0,0]=4 11290 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,0,0,0,0,2|2,0,0]=4 11291 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,0,0,0,0,2|2,0,0]=4 11292 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,0,0,0,0,2|2,0,0]=4 11293 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,0,0,0,0,2|2,0,0]=4 11294 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,0,0,0,0,2|2,0,0]=4 11295 B11R0.176 COCC(=O)NCCOC(C)C 11a_100000701111_100000210968 [0,0,0,0,0,2|2,0,0]=4 11296 B11R0.176 COCC(=O)NCCOC(C)C 1626a_100000701111_100000210968 [0,0,0,0,0,2|2,0,0]=4 11297 B11R0.176 COCC(=O)NCCOC(C)C 240690a_100000701111_100000210968 [0,0,0,0,0,2|2,0,0]=4 11298 B11R0.176 COCC(=O)NCCOC(C)C 527a_100000701111_100000210968 [0,0,0,0,0,2|2,0,0]=4 11299 B11R0.176 COCC(=O)NCCSC(C)C 11a_100000731138_100000210968 [0,0,0,0,0,2|2,0,0]=4 11300 B11R0.176 COCC(=O)NCCSC(C)C 1626a_100000731138_100000210968 [0,0,0,0,0,2|2,0,0]=4 11301 B11R0.176 COCC(=O)NCCSC(C)C 240690a_100000731138_100000210968 [0,0,0,0,0,2|2,0,0]=4 11302 B11R0.176 COCC(=O)NCCSC(C)C 527a_100000731138_100000210968 [0,0,0,0,0,2|2,0,0]=4 11303 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,0,0,0,0,2|2,0,0]=4 11304 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,0,0,0,0,2|2,0,0]=4 11305 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,0,0,0,0,2|2,0,0]=4 11306 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,0,0,0,0,2|2,0,0]=4 11307 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,0,0,0,0,2|2,0,0]=4 11308 B11R0.176 CSCC(=O)NCCOC(C)C 11a_100000701111_100000184570 [0,0,0,0,0,2|2,0,0]=4 11309 B11R0.176 CSCC(=O)NCCOC(C)C 1626a_100000701111_100000184570 [0,0,0,0,0,2|2,0,0]=4 11310 B11R0.176 CSCC(=O)NCCOC(C)C 240690a_100000701111_100000184570 [0,0,0,0,0,2|2,0,0]=4 11311 B11R0.176 CSCC(=O)NCCOC(C)C 527a_100000701111_100000184570 [0,0,0,0,0,2|2,0,0]=4 11312 B11R0.176 CSCC(=O)NCCSC(C)C 11a_100000731138_100000184570 [0,0,0,0,0,2|2,0,0]=4 11313 B11R0.176 CSCC(=O)NCCSC(C)C 1626a_100000731138_100000184570 [0,0,0,0,0,2|2,0,0]=4 11314 B11R0.176 CSCC(=O)NCCSC(C)C 240690a_100000731138_100000184570 [0,0,0,0,0,2|2,0,0]=4 11315 B11R0.176 CSCC(=O)NCCSC(C)C 527a_100000731138_100000184570 [0,0,0,0,0,2|2,0,0]=4