0 B11R0.62 C#CCC(=O)CCC(=O)NCC 1458a_100000199579_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.62 C#CCC(=O)CNC(=O)OCC 1458a_100000190774_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.62 C#CCC(=O)NCC(=O)OCC 188690a_100000741813_100011220946 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.62 C=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000210623 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.62 C=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000210623 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.62 C=CCC(=O)NCC(=O)OCC 188690a_100000741813_100000210193 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.62 CC#CC(=O)COC(=O)CCC 1458a_100000763181_100000034017 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.62 CC=CC(=O)NCC(=O)NCC 11a_100016988866_100000210699 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.62 CC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000210699 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.62 CC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000210699 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,0,0,0,0,0|1,0,0]=1 17 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,0,0,0,0,0|3,0,0]=3 20 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,0,0,0,0,0|3,0,0]=3 23 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,0,0,0,0,0|2,0,0]=2 24 B11R0.62 CCCC(=O)NNC(=O)CCC 22a_100000189770_100000211992 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.62 CCCC(=O)NNC(=O)NCC 273464a_100015525214_100000189770 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.62 CCCC(=O)NNC(=O)NCC 512a_100000189770_100015525214 [0,0,0,0,0,0|4,0,0]=4 27 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,0,0,0,0,0|4,0,0]=4 30 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,0,0,0,0,0|4,0,0]=4 36 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,0,0,0,0,0|4,0,0]=4 37 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,0,0,0,0,0|3,0,0]=3 38 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,0,0,0,0,0|3,0,0]=3 39 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,0,0,0,0,0|3,0,0]=3 40 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,0,0,0,0,0|3,0,0]=3 41 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [0,0,0,0,0,0|1,0,2]=3 42 B11R0.62 CCNC(=O)CCC(=O)CC#N 1458a_100000199579_100011214920 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,0,0,0,0,0|3,0,0]=3 44 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,0,0,0,0,0|3,0,0]=3 45 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,0,0,0,0,0|2,0,0]=2 46 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,0,0,0,0,0|2,0,0]=2 47 B11R0.62 CCNC(=O)CCC(=O)NNC 22a_100016993582_100000199579 [0,0,0,0,0,0|3,0,0]=3 48 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,0,0,0,0,0|1,0,0]=1 49 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,0,0,0,0,0|1,0,0]=1 50 B11R0.62 CCNC(=O)CNC(=O)CCO 240690a_100016988866_100011216618 [0,0,0,0,0,0|4,0,0]=4 51 B11R0.62 CCNC(=O)CNC(=O)COC 11a_100016988866_100000210968 [0,0,0,0,0,0|4,0,0]=4 52 B11R0.62 CCNC(=O)CNC(=O)COC 1626a_100016988866_100000210968 [0,0,0,0,0,0|4,0,0]=4 53 B11R0.62 CCNC(=O)CNC(=O)COC 240690a_100016988866_100000210968 [0,0,0,0,0,0|4,0,0]=4 54 B11R0.62 CCNC(=O)CNC(=O)COC 527a_100016988866_100000210968 [0,0,0,0,0,0|4,0,0]=4 55 B11R0.62 CCNC(=O)CNC(=O)CSC 11a_100016988866_100000184570 [0,0,0,0,0,0|4,0,0]=4 56 B11R0.62 CCNC(=O)CNC(=O)CSC 1626a_100016988866_100000184570 [0,0,0,0,0,0|4,0,0]=4 57 B11R0.62 CCNC(=O)CNC(=O)CSC 240690a_100016988866_100000184570 [0,0,0,0,0,0|4,0,0]=4 58 B11R0.62 CCNC(=O)CNC(=O)CSC 527a_100016988866_100000184570 [0,0,0,0,0,0|4,0,0]=4 59 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100015525214_100016988866 [0,0,0,0,0,0|3,0,0]=3 60 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100016988866_100015525214 [0,0,0,0,0,0|3,0,0]=3 61 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100015525214_100016988866 [0,0,0,0,0,0|3,0,0]=3 62 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100016988866_100015525214 [0,0,0,0,0,0|3,0,0]=3 63 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100015525214_100016988866 [0,0,0,0,0,0|3,0,0]=3 64 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100016988866_100015525214 [0,0,0,0,0,0|3,0,0]=3 65 B11R0.62 CCNC(=O)CNC(=O)NNC 273464a_100016988866_100016993582 [0,0,0,0,0,0|4,0,0]=4 66 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016988866_100016993582 [0,0,0,0,0,0|4,0,0]=4 67 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016993582_100016988866 [0,0,0,0,0,0|4,0,0]=4 68 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,0,0,0,0,0|2,0,0]=2 69 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,0,0,0,0,0|2,0,0]=2 70 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,0,0,0,0,0|2,0,0]=2 71 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,0,0,0,0,0|2,0,1]=3 72 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,0,0,0,0,0|2,0,1]=3 75 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,0,0,0,0,0|2,0,0]=2 76 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,0,0,0,0,0|2,0,0]=2 77 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,0,0,0,0,0|1,0,1]=2 78 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,0,0,0,0,0|1,1,1]=3 79 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,0,0,0,0,0|1,1,1]=3 80 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,0,0,0,0,0|2,1,1]=4 81 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,0,0,0,0,0|2,1,1]=4 82 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,0,0,0,0,0|4,0,0]=4 83 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,0,0,0,0,0|4,0,0]=4 84 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,0,0,0,0,0|4,0,0]=4 85 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,0,0,0,0,0|4,0,0]=4 86 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,0,0,0,0,0|4,0,0]=4 87 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,0,0,0,0,0|4,0,0]=4 88 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,0,0,0,0,0|4,0,0]=4 90 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,0,0,0,0,0|4,0,0]=4 91 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,0,0,0,0,0|4,0,0]=4 92 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,0,0,0,0,0|3,0,0]=3 93 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,0,0,0,0,0|3,0,0]=3 94 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,0,0,0,0,0|3,0,0]=3 95 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,0,0,0,0,0|3,0,0]=3 96 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,0,0,0,0,0|3,0,0]=3 97 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,0,0,0,0,0|3,0,0]=3 98 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,0,0,0,0,0|3,0,0]=3 100 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,0,0,0,0,0|3,0,0]=3 102 B11R0.62 CCOC(=O)NCC(=O)CC#N 1458a_100000190774_100011214920 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,0,0,0,0,0|3,0,0]=3 104 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,0,0,0,0,0|3,0,0]=3 105 B11R0.62 CCOC(=O)NCC(=O)NNC 22a_100016993582_100000190774 [0,0,0,0,0,0|3,0,0]=3 106 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [1,0,0,0,0,0|1,0,2]=4 108 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,0,0,0,0,0|2,0,0]=3 109 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,0,0,0,0,0|3,0,0]=4 110 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [1,0,0,0,0,0|3,0,0]=4 111 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [1,0,0,0,0,0|3,0,0]=4 112 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [1,0,0,0,0,0|2,0,1]=4 113 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,0,0,0,0,0|1,0,2]=4 114 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,0,0,0,0,0|2,0,1]=4 115 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,0,0,0,0,0|2,0,1]=4 116 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,0,0,0,0,0|2,0,1]=4 117 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,0,0,0,0,0|2,0,1]=4 118 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,0,0,0,0|1,0,1]=3 119 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,0,0,0,0,0|2,0,1]=4 120 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,0,0,0,0,0|2,0,1]=4 121 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,0,0,0,0,0|2,0,1]=4 122 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,0,0,0,0,0|2,0,1]=4 123 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,0,0,0,0,0|2,0,1]=4 124 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,0,0,0,0,0|2,0,1]=4 125 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,0,0,0,0|2,0,1]=4 126 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,0,0,0,0|2,0,1]=4 127 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,0,0,0,0|2,0,1]=4 128 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,0,0,0,0|2,0,1]=4 129 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,0,0,0,0|2,0,1]=4 130 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,0,0,0,0,0|2,0,1]=4 131 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,0,0,0,0,0|2,0,1]=4 132 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,0,0,0,0,0|2,0,1]=4 133 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,0,0,0,0,0|2,0,1]=4 134 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,0,0,0,0,0|2,0,1]=4 135 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,0,0,0,0,0|2,0,1]=4 136 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,0,0,0,0,0|3,0,0]=4 137 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,0,0,0,0|3,0,0]=4 138 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,0,0,0,0,0|2,0,0]=3 139 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,0,0,0,0,0|3,0,0]=4 140 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,0,0,0,0,0|2,0,0]=3 142 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,0,0,0,0,0|2,0,0]=3 143 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,0,0,0,0,0|3,0,0]=4 144 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [1,0,0,0,0,0|2,0,1]=4 145 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [1,0,0,0,0,0|2,0,1]=4 146 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,0,0,0,0,0|2,0,1]=4 147 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,0,0,0,0,0|2,0,1]=4 148 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,0,0,0,0,0|2,0,1]=4 149 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,0,0,0,0,0|2,0,1]=4 150 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,0,0,0,0,0|2,0,1]=4 151 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,0,0,0,0,0|2,0,1]=4 152 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,0,0,0,0,0|1,0,1]=3 153 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,0,0,0,0,0|2,0,1]=4 154 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,0,0,0,0,0|2,0,1]=4 155 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,0,0,0,0,0|2,0,1]=4 156 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,0,0,0,0,0|2,0,1]=4 157 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,0,0,0,0,0|2,0,1]=4 159 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,0,0,0,0,0|2,0,1]=4 160 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,0,0,0,0,0|2,0,1]=4 161 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,0,0,0,0,0|1,0,1]=3 162 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,0,0,0,0,0|0,1,1]=3 163 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,0,0,0,0,0|0,1,1]=3 164 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,0,0,0,0,0|1,1,1]=4 165 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,0,0,0,0,0|1,1,1]=4 166 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,0,0,0,0,0|3,0,0]=4 167 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,0,0,0,0,0|3,0,0]=4 168 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,0,0,0,0,0|3,0,0]=4 169 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,0,0,0,0,0|3,0,0]=4 170 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,0,0,0,0,0|3,0,0]=4 171 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,0,0,0,0,0|3,0,0]=4 172 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,0,0,0,0,0|3,0,0]=4 173 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,0,0,0,0,0|3,0,0]=4 174 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,0,0,0,0,0|3,0,0]=4 175 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,0,0,0,0,0|3,0,0]=4 176 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,0,0,0,0,0|3,0,0]=4 177 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,0,0,0,0,0|3,0,0]=4 178 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,0,0,0,0,0|3,0,0]=4 179 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [1,0,0,0,0,0|2,0,1]=4 180 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,0,0,0,0,0|1,1,1]=4 181 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [1,0,0,0,0,0|0,0,3]=4 182 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,0,0,0,0,0|2,0,1]=4 183 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,0,0,0,0,0|2,0,1]=4 184 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,0,0,0,0,0|2,0,1]=4 185 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,0,0,0,0,0|0,0,1]=2 186 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,0,0,0,0,0|0,0,1]=2 187 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,0,0,0,0,0|1,0,1]=3 188 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,0,0,0,0,0|1,0,1]=3 189 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,0,0,0,0,0|1,0,1]=3 190 B10R0.108 C#CCC(=O)CCC(=O)OC 1458a_100000187943_100000184674 [1,0,0,0,0,0|1,0,2]=4 191 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [1,0,0,0,0,0|1,0,2]=4 192 B10R0.108 CC=CC(=O)NCC(=O)OC 188690a_100000185156_100000210699 [1,0,0,0,0,0|2,0,1]=4 193 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [1,0,0,0,0,0|3,0,0]=4 194 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [1,0,0,0,0,0|3,0,0]=4 195 B10R0.108 CCC(=O)NCC(=O)NNC 22a_100016993582_100000194589 [1,0,0,0,0,0|3,0,0]=4 196 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [1,0,0,0,0,0|2,0,0]=3 197 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [1,0,0,0,0,0|1,0,0]=2 198 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,0,0,0,0,0|2,0,1]=4 199 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,0,0,0,0,0|3,0,0]=4 200 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,0,0,0,0,0|2,0,0]=3 201 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [1,0,0,0,0,0|2,0,0]=3 202 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [1,0,0,0,0,0|2,0,0]=3 203 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [1,0,0,0,0,0|3,0,0]=4 204 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [1,0,0,0,0,0|3,0,0]=4 205 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [1,0,0,0,0,0|3,0,0]=4 206 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [1,0,0,0,0,0|2,0,0]=3 207 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [1,0,0,0,0,0|3,0,0]=4 208 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [1,0,0,0,0,0|3,0,0]=4 209 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [1,0,0,0,0,0|2,0,0]=3 210 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [1,0,0,0,0,0|3,0,0]=4 211 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [1,0,0,0,0,0|3,0,0]=4 212 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [1,0,0,0,0,0|3,0,0]=4 213 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [1,0,0,0,0,0|3,0,0]=4 214 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [1,0,0,0,0,0|1,0,0]=2 215 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [1,0,0,0,0,0|2,0,0]=3 216 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [1,0,0,0,0,0|2,0,0]=3 217 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [1,0,0,0,0,0|2,0,0]=3 218 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [1,0,0,0,0,0|2,0,0]=3 219 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [1,0,0,0,0,0|2,0,0]=3 220 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [1,0,0,0,0,0|2,0,0]=3 221 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [1,0,0,0,0,0|2,0,0]=3 222 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [1,0,0,0,0,0|1,0,0]=2 223 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [1,0,0,0,0,0|1,0,0]=2 224 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [1,0,0,0,0,0|1,0,0]=2 225 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,0,0,0,0,0|2,0,1]=4 226 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,0,0,0,0,0|2,0,1]=4 227 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,0,0,0,0,0|2,0,1]=4 228 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,0,0,0,0,0|1,0,2]=4 229 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [1,0,0,0,0,0|3,0,0]=4 230 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [1,0,0,0,0,0|3,0,0]=4 231 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [1,0,0,0,0,0|3,0,0]=4 232 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [1,0,0,0,0,0|2,0,0]=3 233 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [1,0,0,0,0,0|2,0,0]=3 234 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [1,0,0,0,0,0|2,0,0]=3 235 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [1,0,0,0,0,0|2,0,0]=3 236 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [1,0,0,0,0,0|2,0,0]=3 237 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [1,0,0,0,0,0|2,0,0]=3 238 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [1,0,0,0,0,0|2,0,0]=3 239 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [1,0,0,0,0,0|2,0,0]=3 240 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [1,0,0,0,0,0|2,0,0]=3 241 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [1,0,0,0,0,0|2,0,0]=3 242 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [1,0,0,0,0,0|3,0,0]=4 243 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [1,0,0,0,0,0|3,0,0]=4 244 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100016988866_106832991635 [1,0,0,0,0,0|3,0,0]=4 245 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100102657272_100016988866 [1,0,0,0,0,0|3,0,0]=4 246 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100016988866_100102657272 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100102657272_100016988866 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.108 CCNC(=O)CNC(=O)NC 512a_100016988866_100102657272 [1,0,0,0,0,0|3,0,0]=4 249 B10R0.108 CCNC(=O)CNC(=O)NC 512a_106832991638_100016988866 [1,0,0,0,0,0|3,0,0]=4 250 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [1,0,0,0,0,0|2,0,0]=3 251 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [1,0,0,0,0,0|2,0,0]=3 252 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [1,0,0,0,0,0|2,0,0]=3 253 B10R0.108 CCNC(=O)NCC(=O)NC 2708a_100015525214_100000693194 [1,0,0,0,0,0|3,0,0]=4 254 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100000693194_100015525214 [1,0,0,0,0,0|3,0,0]=4 255 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100015525214_100000693194 [1,0,0,0,0,0|3,0,0]=4 256 B10R0.108 CCNC(=O)NCC(=O)NC 512a_100015525214_100000693194 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.108 CCNC(=O)NNC(=O)CC 273464a_100015525214_100000183195 [1,0,0,0,0,0|3,0,0]=4 258 B10R0.108 CCNC(=O)NNC(=O)CC 512a_100015525214_100000183195 [1,0,0,0,0,0|3,0,0]=4 259 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [1,0,0,0,0,0|0,0,2]=3 260 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [1,0,0,0,0,0|1,0,2]=4 261 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [1,0,0,0,0,0|1,0,2]=4 262 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [1,0,0,0,0,0|1,0,2]=4 263 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,0,0,0,0,0|0,0,0]=1 264 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [1,0,0,0,0,0|1,0,0]=2 265 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [1,0,0,0,0,0|1,0,0]=2 266 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [1,0,0,0,0,0|1,0,0]=2 267 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [1,0,0,0,0,0|1,0,0]=2 268 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [1,0,0,0,0,0|2,0,1]=4 269 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [1,0,0,0,0,0|2,0,1]=4 270 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [1,0,0,0,0,0|2,0,1]=4 271 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [1,0,0,0,0,0|1,0,1]=3 272 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [1,0,0,0,0,0|1,1,1]=4 273 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [1,0,0,0,0,0|1,1,1]=4 274 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [1,0,0,0,0,0|1,1,1]=4 275 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [1,0,0,0,0,0|1,1,1]=4 276 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,0,0,0,0,0|2,0,0]=3 277 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,0,0,0,0,0|2,0,0]=3 278 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,0,0,0,0,0|2,0,0]=3 279 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,0,0,0,0,0|2,0,0]=3 280 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,0,0,0,0,0|2,0,0]=3 281 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,0,0,0,0,0|2,0,0]=3 282 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [1,0,0,0,0,0|3,0,0]=4 283 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,0,0,0,0,0|2,0,0]=3 284 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [1,0,0,0,0,0|1,0,0]=2 286 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [1,0,0,0,0,0|2,0,0]=3 287 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,0,0,0,0,0|2,0,1]=4 288 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,0,0,0,0,0|2,0,1]=4 289 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,0,0,0,0,0|2,0,1]=4 290 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,0,0,0,0,0|2,0,1]=4 291 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [1,0,0,0,0,0|2,0,1]=4 292 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [1,0,0,0,0,0|2,0,1]=4 293 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [1,0,0,0,0,0|1,0,0]=2 294 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [1,0,0,0,0,0|2,0,0]=3 295 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [1,0,0,0,0,0|2,0,0]=3 296 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [1,0,0,0,0,0|2,0,0]=3 297 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [1,0,0,0,0,0|2,0,0]=3 298 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [1,0,0,0,0,0|2,0,0]=3 299 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [1,0,0,0,0,0|3,0,0]=4 300 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [1,0,0,0,0,0|3,0,0]=4 301 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [1,0,0,0,0,0|3,0,0]=4 302 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [1,0,0,0,0,0|3,0,0]=4 303 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [1,0,0,0,0,0|2,0,0]=3 304 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [1,0,0,0,0,0|2,0,0]=3 305 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [1,0,0,0,0,0|2,0,0]=3 306 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [1,0,0,0,0,0|3,0,0]=4 307 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [1,0,0,0,0,0|3,0,0]=4 308 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [1,0,0,0,0,0|3,0,0]=4 309 B10R0.108 CNNC(=O)CCC(=O)NC 22a_100016993582_100011309844 [1,0,0,0,0,0|3,0,0]=4 310 B10R0.108 CNNC(=O)CNC(=O)OC 22a_100016993582_100000215747 [1,0,0,0,0,0|3,0,0]=4 311 B10R0.108 COC(=O)CCC(=O)CC#N 1458a_100000187943_100011214920 [1,0,0,0,0,0|2,0,1]=4 312 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [1,0,0,0,0,0|2,0,0]=3 313 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [1,0,0,0,0,0|2,0,0]=3 314 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [1,0,0,0,0,0|2,0,0]=3 315 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [1,0,0,0,0,0|2,0,0]=3 316 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [1,0,0,0,0,0|2,0,0]=3 317 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [1,0,0,0,0,0|2,0,0]=3 318 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [1,0,0,0,0,0|3,0,0]=4 319 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [1,0,0,0,0,0|3,0,0]=4 321 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [1,0,0,0,0,0|3,0,0]=4 322 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [1,0,0,0,0,0|3,0,0]=4 323 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [1,0,0,0,0,0|3,0,0]=4 324 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [1,0,0,0,0,0|3,0,0]=4 325 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [1,0,0,0,0,0|2,0,0]=3 326 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [1,0,0,0,0,0|3,0,0]=4 327 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [1,0,0,0,0,0|3,0,0]=4 328 B12R0.69 C#CCC(=O)C(C)CC(=O)OCC 1458a_100011220946_100009817359 [0,1,0,0,0,0|1,0,2]=4 329 B12R0.69 C=CCC(=O)C(C)CC(=O)OCC 1458a_100000210193_100009817359 [0,1,0,0,0,0|1,0,2]=4 330 B12R0.69 CC#CC(=O)C(C)CC(=O)OCC 1458a_100000763181_100009817359 [0,1,0,0,0,0|1,0,1]=3 331 B12R0.69 CC/C=C(\C)/C(=O)CC(=O)OCC 1458a_100016988807_100000188475 [0,1,0,0,0,0|2,0,1]=4 332 B12R0.69 CC=CC(=O)C(C)CC(=O)OCC 1458a_100000210699_100009817359 [0,1,0,0,0,0|1,0,1]=3 333 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210699 [0,1,0,0,0,0|2,0,1]=4 334 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210699 [0,1,0,0,0,0|2,0,1]=4 335 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210699 [0,1,0,0,0,0|2,0,1]=4 336 B12R0.69 CC=CC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210699 [0,1,0,0,0,0|2,0,1]=4 337 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [0,1,0,0,0,0|1,0,0]=2 338 B12R0.69 CCCC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000747444 [0,1,0,0,0,0|2,0,1]=4 339 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 11a_100000741943_100000211992 [0,1,0,0,0,0|3,0,0]=4 340 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 1626a_100000741943_100000211992 [0,1,0,0,0,0|3,0,0]=4 341 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 240690a_100000741943_100000211992 [0,1,0,0,0,0|3,0,0]=4 342 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 527a_100000741943_100000211992 [0,1,0,0,0,0|3,0,0]=4 343 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211992 [0,1,0,0,0,0|2,0,0]=3 344 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211992 [0,1,0,0,0,0|2,0,0]=3 345 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211992 [0,1,0,0,0,0|2,0,0]=3 346 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211992 [0,1,0,0,0,0|2,0,0]=3 347 B12R0.69 CCCC(=O)NC(C)C(=O)CCC 1458a_100000205598_100000210303 [0,1,0,0,0,0|3,0,0]=4 348 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100000736553_100000211992 [0,1,0,0,0,0|3,0,0]=4 349 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100015525214_100000205598 [0,1,0,0,0,0|3,0,0]=4 350 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 1626a_100000736553_100000211992 [0,1,0,0,0,0|3,0,0]=4 351 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100000736553_100000211992 [0,1,0,0,0,0|3,0,0]=4 352 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100015525214_100000205598 [0,1,0,0,0,0|3,0,0]=4 353 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100000736553_100000211992 [0,1,0,0,0,0|3,0,0]=4 354 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100015525214_100000205598 [0,1,0,0,0,0|3,0,0]=4 355 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 11a_100103168634_100000211992 [0,1,0,0,0,0|2,1,0]=4 356 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 1626a_100103168634_100000211992 [0,1,0,0,0,0|2,1,0]=4 357 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 240690a_100103168634_100000211992 [0,1,0,0,0,0|2,1,0]=4 358 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 527a_100103168634_100000211992 [0,1,0,0,0,0|2,1,0]=4 359 B12R0.69 CCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211992 [0,1,0,0,0,0|2,0,0]=3 360 B12R0.69 CCCN(C)C(C)CC(=O)OCC 2230a_100000747261_100009817359 [0,1,0,0,0,0|3,0,0]=4 361 B12R0.69 CCCN(C)C(C)CC(=O)OCC 269982a_100000747261_100009817359 [0,1,0,0,0,0|3,0,0]=4 362 B12R0.69 CCNC(=O)C(=O)CC(=O)OCC 1458a_200011297158_100000188475 [0,1,0,0,0,0|1,0,1]=3 363 B12R0.69 CCNC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000183381 [0,1,0,0,0,0|2,0,1]=4 364 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 2708a_100015525214_100000741943 [0,1,0,0,0,0|3,0,0]=4 365 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 273464a_100015525214_100000741943 [0,1,0,0,0,0|3,0,0]=4 366 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 2708a_100015525214_100000736553 [0,1,0,0,0,0|3,0,0]=4 367 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 273464a_100000736553_100015525214 [0,1,0,0,0,0|3,0,0]=4 368 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100000736553_100015525214 [0,1,0,0,0,0|3,0,0]=4 369 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100015525214_100000736553 [0,1,0,0,0,0|3,0,0]=4 370 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100015525214_100103168634 [0,1,0,0,0,0|2,1,0]=4 371 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100103168634_100015525214 [0,1,0,0,0,0|2,1,0]=4 372 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100015525214_100103168634 [0,1,0,0,0,0|2,1,0]=4 373 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100103168634_100015525214 [0,1,0,0,0,0|2,1,0]=4 374 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100015525214_100103168634 [0,1,0,0,0,0|2,1,0]=4 375 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100103168634_100015525214 [0,1,0,0,0,0|2,1,0]=4 376 B12R0.69 CCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000188475 [0,1,0,0,0,0|1,0,2]=4 377 B12R0.69 CCOC(=O)CC(C)C(=O)C=CBr 1458a_100016273825_100009817359 [0,1,0,0,0,0|2,0,1]=4 378 B12R0.69 CCOC(=O)CC(C)C(=O)C=CCl 1458a_200016279998_100009817359 [0,1,0,0,0,0|2,0,1]=4 379 B12R0.69 CCOC(=O)CC(C)C(=O)C=CI 1458a_100016256311_100009817359 [0,1,0,0,0,0|2,0,1]=4 380 B12R0.69 CCOC(=O)CC(C)C(=O)CC#N 1458a_100051588842_100009817359 [0,1,0,0,0,0|2,0,1]=4 381 B12R0.69 CCOC(=O)CC(C)C(=O)CCO 1458a_100011216618_100009817359 [0,1,0,0,0,0|2,0,0]=3 382 B12R0.69 CCOC(=O)CC(C)C(=O)COC 1458a_100000210968_100009817359 [0,1,0,0,0,0|2,0,0]=3 383 B12R0.69 CCOC(=O)CC(C)C(=O)CSC 1458a_100000184570_100009817359 [0,1,0,0,0,0|2,0,0]=3 384 B12R0.69 CCOC(=O)CN(C)C(=O)CCO 240690a_100000220588_100011216618 [0,1,0,0,0,0|3,0,0]=4 385 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 2230a_106832991635_100000754419 [0,1,0,0,0,0|3,0,0]=4 386 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 34a_100102657272_100000754419 [0,1,0,0,0,0|3,0,0]=4 387 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 7a_106832991635_100000754419 [0,1,0,0,0,0|3,0,0]=4 388 B12R0.69 CCOC(=O)CN(C)C(=O)COC 11a_100000220588_100000210968 [0,1,0,0,0,0|3,0,0]=4 389 B12R0.69 CCOC(=O)CN(C)C(=O)COC 1626a_100000220588_100000210968 [0,1,0,0,0,0|3,0,0]=4 390 B12R0.69 CCOC(=O)CN(C)C(=O)COC 240690a_100000220588_100000210968 [0,1,0,0,0,0|3,0,0]=4 391 B12R0.69 CCOC(=O)CN(C)C(=O)COC 34a_100138415774_100000754419 [0,1,0,0,0,0|3,0,0]=4 392 B12R0.69 CCOC(=O)CN(C)C(=O)COC 527a_100000220588_100000210968 [0,1,0,0,0,0|3,0,0]=4 393 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 11a_100000220588_100000184570 [0,1,0,0,0,0|3,0,0]=4 394 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 1626a_100000220588_100000184570 [0,1,0,0,0,0|3,0,0]=4 395 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 240690a_100000220588_100000184570 [0,1,0,0,0,0|3,0,0]=4 396 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 527a_100000220588_100000184570 [0,1,0,0,0,0|3,0,0]=4 397 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 62a_100000754419_200000210301 [0,1,0,0,0,0|3,0,0]=4 398 B12R0.69 CCOC(=O)CN(C)C(=O)CS[13CH3] 62a_100000754419_200025704644 [0,1,0,0,0,0|3,0,0]=4 399 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)COC 188690a_100016988386_100000210968 [0,1,0,0,0,0|3,0,0]=4 400 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)CSC 188690a_100016988386_100000184570 [0,1,0,0,0,0|3,0,0]=4 401 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_100000226822_100011206558 [0,1,0,0,0,0|3,0,0]=4 402 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210303 [0,1,0,0,0,0|3,0,0]=4 403 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_100000226822_100011206558 [0,1,0,0,0,0|3,0,0]=4 404 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210303 [0,1,0,0,0,0|3,0,0]=4 405 B12R0.79 C#CC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200000035995 [0,1,0,0,0,0|1,0,2]=4 406 B12R0.79 C/C=C(\C)/C(=O)NCC(=O)OCC 188690a_100000741813_100020587367 [0,1,0,0,0,0|2,0,1]=4 407 B12R0.79 C=C(CO)C(=O)NCC(=O)OCC 188690a_100000741813_200000705526 [0,1,0,0,0,0|3,0,0]=4 408 B12R0.79 CCCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210303 [0,1,0,0,0,0|3,0,0]=4 409 B12R0.79 CCCC(=O)OCC(=O)C(C)CC 1458a_100011192722_100000034017 [0,1,0,0,0,0|3,0,0]=4 410 B12R0.79 CCCC(=O)OCC(=O)C(O)CC 1458a_100011196387_100000034017 [0,1,0,0,0,0|3,0,0]=4 411 B12R0.79 CCNC(=O)CCC(=O)C(C)CC 1458a_100000199579_100000758301 [0,1,0,0,0,0|2,0,0]=3 412 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 11a_100000225621_100000199579 [0,1,0,0,0,0|2,0,0]=3 413 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000199579 [0,1,0,0,0,0|2,0,0]=3 414 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000199579 [0,1,0,0,0,0|2,0,0]=3 415 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 11a_100015525214_100000743532 [0,1,0,0,0,0|3,0,0]=4 416 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 11a_100016988866_100011192722 [0,1,0,0,0,0|3,0,0]=4 417 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 1626a_100016988866_100011192722 [0,1,0,0,0,0|3,0,0]=4 418 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 240690a_100015525214_100000743532 [0,1,0,0,0,0|3,0,0]=4 419 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 240690a_100016988866_100011192722 [0,1,0,0,0,0|3,0,0]=4 420 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 527a_100015525214_100000743532 [0,1,0,0,0,0|3,0,0]=4 421 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 527a_100016988866_100011192722 [0,1,0,0,0,0|3,0,0]=4 422 B12R0.79 CCNC(=O)CNC(=O)C(O)CC 240690a_100016988866_100011196387 [0,1,0,0,0,0|3,0,0]=4 423 B12R0.79 CCNC(=O)CNC(=O)N(C)CC 2708a_100016988866_100000225621 [0,1,0,0,0,0|3,0,0]=4 424 B12R0.79 CCNC(=O)CNC(=O)N(C)CC 273464a_100016988866_100000225621 [0,1,0,0,0,0|3,0,0]=4 425 B12R0.79 CCOC(=O)C=CC(=O)C(C)CC 1458a_100000210415_100000758301 [0,1,0,0,0,0|1,0,2]=4 426 B12R0.79 CCOC(=O)C=CC(=O)N(C)CC 1626a_100000225621_100000210415 [0,1,0,0,0,0|1,0,2]=4 427 B12R0.79 CCOC(=O)C=CC(=O)N(C)CC 240690a_100000225621_100000210415 [0,1,0,0,0,0|1,0,2]=4 428 B12R0.79 CCOC(=O)CCC(=O)C(C)C#N 1458a_100000183558_100000703298 [0,1,0,0,0,0|2,0,1]=4 429 B12R0.79 CCOC(=O)CCC(=O)C(C)CC 1458a_100000183558_100000758301 [0,1,0,0,0,0|1,0,0]=2 430 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 11a_100000225621_100000183558 [0,1,0,0,0,0|1,0,0]=2 431 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000183558 [0,1,0,0,0,0|1,0,0]=2 432 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000183558 [0,1,0,0,0,0|1,0,0]=2 433 B12R0.79 CCOC(=O)CCC(C)C(=O)CC 1458a_100000210414_100000748298 [0,1,0,0,0,0|2,0,1]=4 434 B12R0.79 CCOC(=O)CCC(C)N(C)CC 2230a_100000225621_100000748298 [0,1,0,0,0,0|2,0,1]=4 435 B12R0.79 CCOC(=O)CCC(C)N(C)CC 269982a_100000225621_100000748298 [0,1,0,0,0,0|2,0,1]=4 436 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 11a_100000745921_100000210414 [0,1,0,0,0,0|3,0,0]=4 437 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 1626a_100000745921_100000210414 [0,1,0,0,0,0|3,0,0]=4 438 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 240690a_100000745921_100000210414 [0,1,0,0,0,0|3,0,0]=4 439 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 527a_100000745921_100000210414 [0,1,0,0,0,0|3,0,0]=4 440 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000741768_100011206558 [0,1,0,0,0,0|3,0,0]=4 441 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000745921_100000758301 [0,1,0,0,0,0|3,0,0]=4 442 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000741768_100011206558 [0,1,0,0,0,0|3,0,0]=4 443 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000745921_100000758301 [0,1,0,0,0,0|3,0,0]=4 444 B12R0.79 CCOC(=O)CNC(=O)C(C)CC 188690a_100000741813_100011192722 [0,1,0,0,0,0|2,0,0]=3 445 B12R0.79 CCOC(=O)CNC(=O)C(C)OC 188690a_100000741813_100000743197 [0,1,0,0,0,0|3,0,0]=4 446 B12R0.79 CCOC(=O)CNC(=O)C(C)SC 188690a_100000741813_100000149566 [0,1,0,0,0,0|3,0,0]=4 447 B12R0.79 CCOC(=O)CNC(=O)C(O)CC 188690a_100000741813_100011196387 [0,1,0,0,0,0|2,0,0]=3 448 B12R0.79 CCOC(=O)CNC(=O)C(O)CO 188690a_100000741813_100011215603 [0,1,0,0,0,0|3,0,0]=4 449 B12R0.79 CCOC(=O)NCC(=O)C(C)CC 1458a_100000190774_100000758301 [0,1,0,0,0,0|2,0,0]=3 450 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 11a_100000225621_100000190774 [0,1,0,0,0,0|2,0,0]=3 451 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 1626a_100000225621_100000190774 [0,1,0,0,0,0|2,0,0]=3 452 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 240690a_100000225621_100000190774 [0,1,0,0,0,0|2,0,0]=3 453 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 527a_100000225621_100000190774 [0,1,0,0,0,0|2,0,0]=3 454 B12R0.101 C#CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000753159 [0,1,0,0,0,0|2,0,1]=4 455 B12R0.101 C#CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000753159 [0,1,0,0,0,0|1,0,1]=3 456 B12R0.101 C#CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000753159 [0,1,0,0,0,0|2,0,1]=4 457 B12R0.101 C#CCNC(=O)CCC(=O)NCC 11a_100000212058_100000199579 [0,1,0,0,0,0|2,0,1]=4 458 B12R0.101 C#CCNC(=O)CCC(=O)NCC 1626a_100000212058_100000199579 [0,1,0,0,0,0|2,0,1]=4 459 B12R0.101 C#CCNC(=O)CCC(=O)NCC 240690a_100000212058_100000199579 [0,1,0,0,0,0|2,0,1]=4 460 B12R0.101 C#CCNC(=O)CCC(=O)OCC 11a_100000212058_100000183558 [0,1,0,0,0,0|1,0,1]=3 461 B12R0.101 C#CCNC(=O)CCC(=O)OCC 1626a_100000212058_100000183558 [0,1,0,0,0,0|1,0,1]=3 462 B12R0.101 C#CCNC(=O)CCC(=O)OCC 240690a_100000212058_100000183558 [0,1,0,0,0,0|1,0,1]=3 463 B12R0.101 C#CCNC(=O)CNC(=O)OCC 11a_100000212058_100000190774 [0,1,0,0,0,0|2,0,1]=4 464 B12R0.101 C#CCNC(=O)CNC(=O)OCC 1626a_100000212058_100000190774 [0,1,0,0,0,0|2,0,1]=4 465 B12R0.101 C#CCNC(=O)CNC(=O)OCC 240690a_100000212058_100000190774 [0,1,0,0,0,0|2,0,1]=4 466 B12R0.101 C#CCNC(=O)CNC(=O)OCC 527a_100000212058_100000190774 [0,1,0,0,0,0|2,0,1]=4 467 B12R0.101 C#CCOC(C)CCC(=O)OCC 34a_100000210247_100000748298 [0,1,0,0,0,0|1,0,2]=4 468 B12R0.101 C/C=C/CC(=O)CCC(=O)NCC 1458a_100000199579_100102629194 [0,1,0,0,0,0|2,0,1]=4 469 B12R0.101 C/C=C/CC(=O)CCC(=O)OCC 1458a_100000183558_100102629194 [0,1,0,0,0,0|1,0,1]=3 470 B12R0.101 C/C=C/CC(=O)CNC(=O)OCC 1458a_100000190774_100102629194 [0,1,0,0,0,0|2,0,1]=4 471 B12R0.101 C=CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000754431 [0,1,0,0,0,0|2,0,1]=4 472 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,1,0,0,0,0|1,0,1]=3 473 B12R0.101 C=CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000754431 [0,1,0,0,0,0|2,0,1]=4 474 B12R0.101 C=CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749702 [0,1,0,0,0,0|2,0,1]=4 475 B12R0.101 C=CCNC(=O)CCC(=O)NCC 1626a_100020586998_100000199579 [0,1,0,0,0,0|2,0,1]=4 476 B12R0.101 C=CCNC(=O)CCC(=O)NCC 240690a_100020586998_100000199579 [0,1,0,0,0,0|2,0,1]=4 477 B12R0.101 C=CCNC(=O)CCC(=O)OCC 1626a_100020586998_100000183558 [0,1,0,0,0,0|1,0,1]=3 478 B12R0.101 C=CCNC(=O)CCC(=O)OCC 240690a_100020586998_100000183558 [0,1,0,0,0,0|1,0,1]=3 479 B12R0.101 C=CCNC(=O)CNC(=O)OCC 1626a_100020586998_100000190774 [0,1,0,0,0,0|2,0,1]=4 480 B12R0.101 C=CCNC(=O)CNC(=O)OCC 240690a_100020586998_100000190774 [0,1,0,0,0,0|2,0,1]=4 481 B12R0.101 C=CCNC(=O)CNC(=O)OCC 527a_100020586998_100000190774 [0,1,0,0,0,0|2,0,1]=4 482 B12R0.101 C=CCOC(=O)NCC(=O)CCC 1458a_100000216761_100000210303 [0,1,0,0,0,0|2,0,1]=4 483 B12R0.101 C=CCOC(=O)NCC(=O)NCC 11a_100015525214_100000216761 [0,1,0,0,0,0|2,0,1]=4 484 B12R0.101 C=CCOC(=O)NCC(=O)NCC 240690a_100015525214_100000216761 [0,1,0,0,0,0|2,0,1]=4 485 B12R0.101 C=CCOC(=O)NCC(=O)NCC 527a_100015525214_100000216761 [0,1,0,0,0,0|2,0,1]=4 486 B12R0.101 C=CCOC(C)CCC(=O)OCC 34a_200000210373_100000748298 [0,1,0,0,0,0|1,0,2]=4 487 B12R0.101 CC#CC(=O)COC(=O)OCCC 1458a_100000763181_200000139673 [0,1,0,0,0,0|2,0,1]=4 488 B12R0.101 CC#CCC(=O)CCC(=O)NCC 1458a_100000199579_100000748600 [0,1,0,0,0,0|2,0,1]=4 489 B12R0.101 CC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000748600 [0,1,0,0,0,0|1,0,1]=3 490 B12R0.101 CC#CCC(=O)CNC(=O)OCC 1458a_100000190774_100000748600 [0,1,0,0,0,0|2,0,1]=4 491 B12R0.101 CC=CC(=O)COC(=O)OCCC 1458a_100000210699_200000139673 [0,1,0,0,0,0|2,0,1]=4 492 B12R0.101 CC=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000070051 [0,1,0,0,0,0|2,0,1]=4 493 B12R0.101 CC=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000070051 [0,1,0,0,0,0|1,0,1]=3 494 B12R0.101 CC=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000070051 [0,1,0,0,0,0|2,0,1]=4 495 B12R0.101 CC=CCC(=O)NCC(=O)OCC 188690a_100000741813_100121576822 [0,1,0,0,0,0|2,0,1]=4 496 B12R0.101 CCC#CC(=O)COC(=O)CCC 1458a_100011827653_100000034017 [0,1,0,0,0,0|3,0,0]=4 497 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [0,1,0,0,0,0|3,0,0]=4 498 B12R0.101 CCC=CC(=O)NCC(=O)NCC 11a_100016988866_100000212282 [0,1,0,0,0,0|3,0,0]=4 499 B12R0.101 CCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000212282 [0,1,0,0,0,0|3,0,0]=4 500 B12R0.101 CCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000212282 [0,1,0,0,0,0|3,0,0]=4 501 B12R0.101 CCCC(=O)NCC(=O)NCCF 11a_100000725713_100000211992 [0,1,0,0,0,0|3,0,0]=4 502 B12R0.101 CCCC(=O)NCC(=O)NCCF 1626a_100000725713_100000211992 [0,1,0,0,0,0|3,0,0]=4 503 B12R0.101 CCCC(=O)NCC(=O)NCCF 240690a_100000725713_100000211992 [0,1,0,0,0,0|3,0,0]=4 504 B12R0.101 CCCC(=O)NCC(=O)NCCF 527a_100000725713_100000211992 [0,1,0,0,0,0|3,0,0]=4 505 B12R0.101 CCCC(=O)NNC(=O)COCC 22a_100000189770_100000211967 [0,1,0,0,0,0|3,0,0]=4 506 B12R0.101 CCCC(=O)NNC(=O)COCC 22a_100000216846_100000211992 [0,1,0,0,0,0|3,0,0]=4 507 B12R0.101 CCCC(=O)OCC(=O)CCOC 1458a_100000749529_100000034017 [0,1,0,0,0,0|3,0,0]=4 508 B12R0.101 CCCC(=O)OCC(=O)CCSC 1458a_100000174002_100000034017 [0,1,0,0,0,0|3,0,0]=4 509 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,1,0,0,0,0|2,0,0]=3 510 B12R0.101 CCCC(=O)OCC(=O)CSCC 1458a_100000230394_100000034017 [0,1,0,0,0,0|2,1,0]=4 511 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,1,0,0,0,0|1,0,2]=4 512 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,1,0,0,0,0|2,0,0]=3 513 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,1,0,0,0,0|1,0,0]=2 514 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,1,0,0,0,0|2,0,0]=3 515 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,1,0,0,0,0|3,0,0]=4 516 B12R0.101 CCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210183 [0,1,0,0,0,0|3,0,0]=4 517 B12R0.101 CCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210183 [0,1,0,0,0,0|3,0,0]=4 518 B12R0.101 CCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210183 [0,1,0,0,0,0|3,0,0]=4 519 B12R0.101 CCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210183 [0,1,0,0,0,0|3,0,0]=4 520 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,1,0,0,0,0|2,0,0]=3 521 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,1,0,0,0,0|3,0,0]=4 522 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,1,0,0,0,0|3,0,0]=4 523 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,1,0,0,0,0|3,0,0]=4 524 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,1,0,0,0,0|3,0,0]=4 525 B12R0.101 CCCNC(=O)C=CC(=O)OCC 1626a_100020643023_100000210415 [0,1,0,0,0,0|1,0,2]=4 526 B12R0.101 CCCNC(=O)C=CC(=O)OCC 240690a_100020643023_100000210415 [0,1,0,0,0,0|1,0,2]=4 527 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,1,0,0,0,0|2,0,0]=3 528 B12R0.101 CCCNC(=O)CCC(=O)CCF 1458a_100000199543_100011217306 [0,1,0,0,0,0|3,0,0]=4 529 B12R0.101 CCCNC(=O)CCC(=O)CCO 1458a_100000199543_100000211926 [0,1,0,0,0,0|3,0,0]=4 530 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [0,1,0,0,0,0|2,0,0]=3 531 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [0,1,0,0,0,0|2,0,0]=3 532 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [0,1,0,0,0,0|2,0,0]=3 533 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [0,1,0,0,0,0|2,0,0]=3 534 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [0,1,0,0,0,0|2,0,0]=3 535 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [0,1,0,0,0,0|2,0,0]=3 536 B12R0.101 CCCNC(=O)CCC(=O)NNC 22a_100016993582_100000199543 [0,1,0,0,0,0|3,0,0]=4 537 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,1,0,0,0,0|1,0,0]=2 538 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,1,0,0,0,0|1,0,0]=2 539 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,1,0,0,0,0|1,0,0]=2 540 B12R0.101 CCCNC(=O)CNC(=O)CCC 11a_100000174927_100000211992 [0,1,0,0,0,0|3,0,0]=4 541 B12R0.101 CCCNC(=O)CNC(=O)CCC 1626a_100000174927_100000211992 [0,1,0,0,0,0|3,0,0]=4 542 B12R0.101 CCCNC(=O)CNC(=O)CCC 240690a_100000174927_100000211992 [0,1,0,0,0,0|3,0,0]=4 543 B12R0.101 CCCNC(=O)CNC(=O)CCC 527a_100000174927_100000211992 [0,1,0,0,0,0|3,0,0]=4 544 B12R0.101 CCCNC(=O)CNC(=O)NCC 2708a_100015525214_100000174927 [0,1,0,0,0,0|3,0,0]=4 545 B12R0.101 CCCNC(=O)CNC(=O)NCC 273464a_100000174927_100015525214 [0,1,0,0,0,0|3,0,0]=4 546 B12R0.101 CCCNC(=O)CNC(=O)NCC 273464a_100015525214_100000174927 [0,1,0,0,0,0|3,0,0]=4 547 B12R0.101 CCCNC(=O)CNC(=O)NCC 512a_100000174927_100015525214 [0,1,0,0,0,0|3,0,0]=4 548 B12R0.101 CCCNC(=O)CNC(=O)NCC 512a_100015525214_100000174927 [0,1,0,0,0,0|3,0,0]=4 549 B12R0.101 CCCNC(=O)CNC(=O)OCC 11a_100020643023_100000190774 [0,1,0,0,0,0|2,0,0]=3 550 B12R0.101 CCCNC(=O)CNC(=O)OCC 1626a_100020643023_100000190774 [0,1,0,0,0,0|2,0,0]=3 551 B12R0.101 CCCNC(=O)CNC(=O)OCC 240690a_100020643023_100000190774 [0,1,0,0,0,0|2,0,0]=3 552 B12R0.101 CCCNC(=O)CNC(=O)OCC 527a_100020643023_100000190774 [0,1,0,0,0,0|2,0,0]=3 553 B12R0.101 CCCNC(=O)NCC(=O)NCC 2708a_100016988866_100020643023 [0,1,0,0,0,0|3,0,0]=4 554 B12R0.101 CCCNC(=O)NCC(=O)NCC 2708a_100020643023_100016988866 [0,1,0,0,0,0|3,0,0]=4 555 B12R0.101 CCCNC(=O)NCC(=O)NCC 273464a_100016988866_100020643023 [0,1,0,0,0,0|3,0,0]=4 556 B12R0.101 CCCNC(=O)NCC(=O)NCC 273464a_100020643023_100016988866 [0,1,0,0,0,0|3,0,0]=4 557 B12R0.101 CCCNC(=O)NCC(=O)NCC 512a_100016988866_100020643023 [0,1,0,0,0,0|3,0,0]=4 558 B12R0.101 CCCNC(=O)NCC(=O)NCC 512a_100020643023_100016988866 [0,1,0,0,0,0|3,0,0]=4 559 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [0,1,0,0,0,0|2,0,0]=3 560 B12R0.101 CCCOC(=O)OCC(=O)CCO 1458a_100011216618_200000139673 [0,1,0,0,0,0|3,0,0]=4 561 B12R0.101 CCCOC(=O)OCC(=O)COC 1458a_100000210968_200000139673 [0,1,0,0,0,0|3,0,0]=4 562 B12R0.101 CCCOC(=O)OCC(=O)CSC 1458a_100000184570_200000139673 [0,1,0,0,0,0|3,0,0]=4 563 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,1,0,0,0,0|1,0,1]=3 564 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,1,0,0,0,0|1,1,1]=4 565 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,1,0,0,0,0|1,1,1]=4 566 B12R0.101 CCNC(=O)CCC(=O)CCC#N 1458a_100000199579_100011215226 [0,1,0,0,0,0|2,0,1]=4 567 B12R0.101 CCNC(=O)CCC(=O)CCCF 1458a_100000199579_100011934791 [0,1,0,0,0,0|2,0,0]=3 568 B12R0.101 CCNC(=O)CCC(=O)CCCO 1458a_100000199579_100011215043 [0,1,0,0,0,0|2,0,0]=3 569 B12R0.101 CCNC(=O)CCC(=O)CCOC 1458a_100000199579_100000233755 [0,1,0,0,0,0|2,0,0]=3 570 B12R0.101 CCNC(=O)CCC(=O)CCSC 1458a_100000199579_100000751147 [0,1,0,0,0,0|2,0,0]=3 571 B12R0.101 CCNC(=O)CCC(=O)NCC#N 1626a_100000734998_100000199579 [0,1,0,0,0,0|2,0,1]=4 572 B12R0.101 CCNC(=O)CCC(=O)NCCF 11a_100000724931_100000199579 [0,1,0,0,0,0|2,0,0]=3 573 B12R0.101 CCNC(=O)CCC(=O)NCCF 1626a_100000724931_100000199579 [0,1,0,0,0,0|2,0,0]=3 574 B12R0.101 CCNC(=O)CCC(=O)NCCF 240690a_100000724931_100000199579 [0,1,0,0,0,0|2,0,0]=3 575 B12R0.101 CCNC(=O)CCC(=O)NCCO 240690a_100000210304_100000199579 [0,1,0,0,0,0|2,0,0]=3 576 B12R0.101 CCNC(=O)CNC(=O)CCOC 11a_100016988866_100000749529 [0,1,0,0,0,0|3,0,0]=4 577 B12R0.101 CCNC(=O)CNC(=O)CCOC 1626a_100016988866_100000749529 [0,1,0,0,0,0|3,0,0]=4 578 B12R0.101 CCNC(=O)CNC(=O)CCOC 240690a_100016988866_100000749529 [0,1,0,0,0,0|3,0,0]=4 579 B12R0.101 CCNC(=O)CNC(=O)CCOC 527a_100016988866_100000749529 [0,1,0,0,0,0|3,0,0]=4 580 B12R0.101 CCNC(=O)CNC(=O)CCSC 11a_100016988866_100000174002 [0,1,0,0,0,0|3,0,0]=4 581 B12R0.101 CCNC(=O)CNC(=O)CCSC 1626a_100016988866_100000174002 [0,1,0,0,0,0|3,0,0]=4 582 B12R0.101 CCNC(=O)CNC(=O)CCSC 240690a_100016988866_100000174002 [0,1,0,0,0,0|3,0,0]=4 583 B12R0.101 CCNC(=O)CNC(=O)CCSC 527a_100016988866_100000174002 [0,1,0,0,0,0|3,0,0]=4 584 B12R0.101 CCNC(=O)CNC(=O)COCC 11a_100016988866_100000211967 [0,1,0,0,0,0|2,0,0]=3 585 B12R0.101 CCNC(=O)CNC(=O)COCC 1626a_100016988866_100000211967 [0,1,0,0,0,0|2,0,0]=3 586 B12R0.101 CCNC(=O)CNC(=O)COCC 240690a_100016988866_100000211967 [0,1,0,0,0,0|2,0,0]=3 587 B12R0.101 CCNC(=O)CNC(=O)COCC 527a_100016988866_100000211967 [0,1,0,0,0,0|2,0,0]=3 588 B12R0.101 CCNC(=O)CNC(=O)CSCC 11a_100016988866_100000230394 [0,1,0,0,0,0|2,1,0]=4 589 B12R0.101 CCNC(=O)CNC(=O)CSCC 1626a_100016988866_100000230394 [0,1,0,0,0,0|2,1,0]=4 590 B12R0.101 CCNC(=O)CNC(=O)CSCC 240690a_100016988866_100000230394 [0,1,0,0,0,0|2,1,0]=4 591 B12R0.101 CCNC(=O)CNC(=O)CSCC 527a_100016988866_100000230394 [0,1,0,0,0,0|2,1,0]=4 592 B12R0.101 CCNC(=O)CNC(=O)NCCF 2708a_100016988866_100000724931 [0,1,0,0,0,0|3,0,0]=4 593 B12R0.101 CCNC(=O)CNC(=O)NCCF 273464a_100000724931_100016988866 [0,1,0,0,0,0|3,0,0]=4 594 B12R0.101 CCNC(=O)CNC(=O)NCCF 273464a_100016988866_100000724931 [0,1,0,0,0,0|3,0,0]=4 595 B12R0.101 CCNC(=O)CNC(=O)NCCF 512a_100016988866_100000724931 [0,1,0,0,0,0|3,0,0]=4 596 B12R0.101 CCNC(=O)CNC(=O)NCCO 2708a_100016988866_100000210304 [0,1,0,0,0,0|3,0,0]=4 597 B12R0.101 CCNC(=O)CNC(=O)NCCO 273464a_100000210304_100016988866 [0,1,0,0,0,0|3,0,0]=4 598 B12R0.101 CCNC(=O)CNC(=O)NCCO 273464a_100016988866_100000210304 [0,1,0,0,0,0|3,0,0]=4 599 B12R0.101 CCNC(=O)CNC(=O)NCCO 512a_100016988866_100000210304 [0,1,0,0,0,0|3,0,0]=4 600 B12R0.101 CCNC(=O)NCC(=O)NCCF 2708a_100015525214_100000725713 [0,1,0,0,0,0|3,0,0]=4 601 B12R0.101 CCNC(=O)NCC(=O)NCCF 273464a_100000725713_100015525214 [0,1,0,0,0,0|3,0,0]=4 602 B12R0.101 CCNC(=O)NCC(=O)NCCF 273464a_100015525214_100000725713 [0,1,0,0,0,0|3,0,0]=4 603 B12R0.101 CCNC(=O)NCC(=O)NCCF 512a_100015525214_100000725713 [0,1,0,0,0,0|3,0,0]=4 604 B12R0.101 CCNC(=O)NNC(=O)COCC 273464a_100015525214_100000216846 [0,1,0,0,0,0|3,0,0]=4 605 B12R0.101 CCNCC(=O)NCC(=O)OCC 2230a_100015525214_100011215850 [0,1,0,0,0,0|2,0,0]=3 606 B12R0.101 CCNN=C(C)CCC(=O)OCC 4a_100000756455_100011212338 [0,1,0,0,0,0|2,0,0]=3 607 B12R0.101 CCNNC(=O)CCC(=O)NCC 22a_100000756455_100000199579 [0,1,0,0,0,0|2,0,0]=3 608 B12R0.101 CCNNC(=O)CNC(=O)OCC 22a_100000756455_100000190774 [0,1,0,0,0,0|2,0,0]=3 609 B12R0.101 CCNNC(=O)NCC(=O)NCC 273464a_100016988866_100000756455 [0,1,0,0,0,0|3,0,0]=4 610 B12R0.101 CCNNC(=O)NCC(=O)NCC 512a_100000756455_100016988866 [0,1,0,0,0,0|3,0,0]=4 611 B12R0.101 CCNNC(=O)NCC(=O)NCC 512a_100016988866_100000756455 [0,1,0,0,0,0|3,0,0]=4 612 B12R0.101 CCOC(=O)C=CC(=O)CCCF 1458a_100000210415_100011934791 [0,1,0,0,0,0|1,0,2]=4 613 B12R0.101 CCOC(=O)C=CC(=O)CCCO 1458a_100000210415_100011215043 [0,1,0,0,0,0|1,0,2]=4 614 B12R0.101 CCOC(=O)C=CC(=O)CCOC 1458a_100000210415_100000233755 [0,1,0,0,0,0|1,0,2]=4 615 B12R0.101 CCOC(=O)C=CC(=O)CCSC 1458a_100000210415_100000751147 [0,1,0,0,0,0|1,0,2]=4 616 B12R0.101 CCOC(=O)C=CC(=O)NCCF 1626a_100000724931_100000210415 [0,1,0,0,0,0|1,0,2]=4 617 B12R0.101 CCOC(=O)C=CC(=O)NCCF 240690a_100000724931_100000210415 [0,1,0,0,0,0|1,0,2]=4 618 B12R0.101 CCOC(=O)C=CC(=O)NCCO 240690a_100000210304_100000210415 [0,1,0,0,0,0|1,0,2]=4 619 B12R0.101 CCOC(=O)CCC(=O)CCC#N 1458a_100000183558_100011215226 [0,1,0,0,0,0|1,0,1]=3 620 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,1,0,0,0,0|1,0,0]=2 621 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,1,0,0,0,0|1,0,0]=2 622 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,1,0,0,0,0|1,0,0]=2 623 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,1,0,0,0,0|1,0,0]=2 624 B12R0.101 CCOC(=O)CCC(=O)NCC#N 1626a_100000734998_100000183558 [0,1,0,0,0,0|1,0,1]=3 625 B12R0.101 CCOC(=O)CCC(=O)NCCF 11a_100000724931_100000183558 [0,1,0,0,0,0|1,0,0]=2 626 B12R0.101 CCOC(=O)CCC(=O)NCCF 1626a_100000724931_100000183558 [0,1,0,0,0,0|1,0,0]=2 627 B12R0.101 CCOC(=O)CCC(=O)NCCF 240690a_100000724931_100000183558 [0,1,0,0,0,0|1,0,0]=2 628 B12R0.101 CCOC(=O)CCC(=O)NCCO 240690a_100000210304_100000183558 [0,1,0,0,0,0|1,0,0]=2 629 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [0,1,0,0,0,0|2,0,1]=4 630 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [0,1,0,0,0,0|2,0,1]=4 631 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [0,1,0,0,0,0|2,0,1]=4 632 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,1,0,0,0,0|1,0,1]=3 633 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,1,0,0,0,0|1,0,1]=3 634 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [0,1,0,0,0,0|1,1,1]=4 635 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [0,1,0,0,0,0|1,1,1]=4 636 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [0,1,0,0,0,0|1,1,1]=4 637 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [0,1,0,0,0,0|1,1,1]=4 638 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [0,1,0,0,0,0|1,1,1]=4 639 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [0,1,0,0,0,0|1,1,1]=4 640 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [0,1,0,0,0,0|1,1,1]=4 641 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [0,1,0,0,0,0|1,1,1]=4 642 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [0,1,0,0,0,0|3,0,0]=4 643 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [0,1,0,0,0,0|3,0,0]=4 644 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,1,0,0,0,0|3,0,0]=4 645 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,1,0,0,0,0|3,0,0]=4 646 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,1,0,0,0,0|3,0,0]=4 647 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,1,0,0,0,0|3,0,0]=4 648 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [0,1,0,0,0,0|3,0,0]=4 649 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [0,1,0,0,0,0|3,0,0]=4 650 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [0,1,0,0,0,0|3,0,0]=4 651 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [0,1,0,0,0,0|3,0,0]=4 652 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [0,1,0,0,0,0|3,0,0]=4 653 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [0,1,0,0,0,0|3,0,0]=4 654 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [0,1,0,0,0,0|3,0,0]=4 655 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [0,1,0,0,0,0|3,0,0]=4 656 B12R0.101 CCOC(=O)CNC(=O)CCOC 188690a_100000741813_100000749529 [0,1,0,0,0,0|2,0,0]=3 657 B12R0.101 CCOC(=O)CNC(=O)CCSC 188690a_100000741813_100000174002 [0,1,0,0,0,0|2,0,0]=3 658 B12R0.101 CCOC(=O)CNC(=O)CSCC 188690a_100000741813_100000230394 [0,1,0,0,0,0|1,1,0]=3 659 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100000210202_100011215850 [0,1,0,0,0,0|1,1,0]=3 660 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100011215850_100000210202 [0,1,0,0,0,0|1,1,0]=3 661 B12R0.101 CCOC(=O)CNC(=O)CSCF 62a_100011215850_100015361967 [0,1,0,0,0,0|2,1,0]=4 662 B12R0.101 CCOC(=O)CNC(=O)CSCF 62a_100015361967_100011215850 [0,1,0,0,0,0|2,1,0]=4 663 B12R0.101 CCOC(=O)NCC(=O)CCC#N 1458a_100000190774_100011215226 [0,1,0,0,0,0|2,0,1]=4 664 B12R0.101 CCOC(=O)NCC(=O)CCCF 1458a_100000190774_100011934791 [0,1,0,0,0,0|2,0,0]=3 665 B12R0.101 CCOC(=O)NCC(=O)CCCO 1458a_100000190774_100011215043 [0,1,0,0,0,0|2,0,0]=3 666 B12R0.101 CCOC(=O)NCC(=O)CCOC 1458a_100000190774_100000233755 [0,1,0,0,0,0|2,0,0]=3 667 B12R0.101 CCOC(=O)NCC(=O)CCSC 1458a_100000190774_100000751147 [0,1,0,0,0,0|2,0,0]=3 668 B12R0.101 CCOC(=O)NCC(=O)NCC#N 1626a_100000734998_100000190774 [0,1,0,0,0,0|2,0,1]=4 669 B12R0.101 CCOC(=O)NCC(=O)NCC#N 527a_100000734998_100000190774 [0,1,0,0,0,0|2,0,1]=4 670 B12R0.101 CCOC(=O)NCC(=O)NCCF 11a_100000724931_100000190774 [0,1,0,0,0,0|2,0,0]=3 671 B12R0.101 CCOC(=O)NCC(=O)NCCF 1626a_100000724931_100000190774 [0,1,0,0,0,0|2,0,0]=3 672 B12R0.101 CCOC(=O)NCC(=O)NCCF 240690a_100000724931_100000190774 [0,1,0,0,0,0|2,0,0]=3 673 B12R0.101 CCOC(=O)NCC(=O)NCCF 527a_100000724931_100000190774 [0,1,0,0,0,0|2,0,0]=3 674 B12R0.101 CCOC(=O)NCC(=O)NCCO 240690a_100000210304_100000190774 [0,1,0,0,0,0|2,0,0]=3 675 B12R0.101 CCOC(=O)NCC(=O)NCCO 527a_100000210304_100000190774 [0,1,0,0,0,0|2,0,0]=3 676 B12R0.101 CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000211967 [0,1,0,0,0,0|1,0,0]=2 677 B12R0.101 CCOCC(=O)NCC(=O)OCC 34a_100121572206_100011215850 [0,1,0,0,0,0|1,0,0]=2 678 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,1,0,0,0,0|2,0,1]=4 679 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,1,0,0,0,0|2,0,1]=4 680 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,1,0,0,0,0|2,0,0]=3 681 B12R0.272 C#CCC(=O)CCC(=O)OC(C)C 1458a_100011220946_100000760027 [0,1,0,0,0,0|1,0,2]=4 682 B12R0.272 C=C(C)CC(=O)CCC(=O)NCC 1458a_100000199579_100000748629 [0,1,0,0,0,0|2,0,1]=4 683 B12R0.272 C=C(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100000748629 [0,1,0,0,0,0|1,0,1]=3 684 B12R0.272 C=C(C)CC(=O)CNC(=O)OCC 1458a_100000190774_100000748629 [0,1,0,0,0,0|2,0,1]=4 685 B12R0.272 C=C(F)CC(=O)CCC(=O)OCC 1458a_100000183558_100009893438 [0,1,0,0,0,0|1,0,2]=4 686 B12R0.272 C=CCC(=O)CCC(=O)OC(C)C 1458a_100000210193_100000760027 [0,1,0,0,0,0|1,0,2]=4 687 B12R0.272 CC#CC(=O)CCC(=O)NC(C)C 1458a_100000763181_100000737564 [0,1,0,0,0,0|2,0,1]=4 688 B12R0.272 CC#CC(=O)CCC(=O)OC(C)C 1458a_100000763181_100000760027 [0,1,0,0,0,0|1,0,1]=3 689 B12R0.272 CC#CC(=O)COC(=O)OC(C)C 1458a_100000763181_100000003507 [0,1,0,0,0,0|2,0,1]=4 690 B12R0.272 CC(C)NC(=O)CCC(=O)CCO 1458a_100011216618_100000737564 [0,1,0,0,0,0|3,0,0]=4 691 B12R0.272 CC(C)OC(=O)CCC(=O)C=CBr 1458a_100016273825_100000760027 [0,1,0,0,0,0|2,0,1]=4 692 B12R0.272 CC(C)OC(=O)CCC(=O)C=CCl 1458a_200016279998_100000760027 [0,1,0,0,0,0|2,0,1]=4 693 B12R0.272 CC(C)OC(=O)CCC(=O)C=CI 1458a_100016256311_100000760027 [0,1,0,0,0,0|2,0,1]=4 694 B12R0.272 CC(C)OC(=O)CCC(=O)CC#N 1458a_100051588842_100000760027 [0,1,0,0,0,0|2,0,1]=4 695 B12R0.272 CC(C)OC(=O)CCC(=O)CCO 1458a_100011216618_100000760027 [0,1,0,0,0,0|2,0,0]=3 696 B12R0.272 CC(C)OC(=O)OCC(=O)CCO 1458a_100011216618_100000003507 [0,1,0,0,0,0|3,0,0]=4 697 B12R0.272 CC=CC(=O)CCC(=O)NC(C)C 1458a_100000210699_100000737564 [0,1,0,0,0,0|2,0,1]=4 698 B12R0.272 CC=CC(=O)CCC(=O)OC(C)C 1458a_100000210699_100000760027 [0,1,0,0,0,0|1,0,1]=3 699 B12R0.272 CC=CC(=O)COC(=O)OC(C)C 1458a_100000210699_100000003507 [0,1,0,0,0,0|2,0,1]=4 700 B12R0.272 CCCC(=O)CCC(=O)NC(C)C 1458a_100000211992_100000737564 [0,1,0,0,0,0|2,0,0]=3 701 B12R0.272 CCCC(=O)CCC(=O)NN(C)C 1458a_100011219620_100000210303 [0,1,0,0,0,0|3,0,0]=4 702 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [0,1,0,0,0,0|1,0,0]=2 703 B12R0.272 CCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210303 [0,1,0,0,0,0|3,0,0]=4 704 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,1,0,0,0,0|2,0,0]=3 705 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000211992 [0,1,0,0,0,0|3,0,0]=4 706 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000211992 [0,1,0,0,0,0|3,0,0]=4 707 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000211992 [0,1,0,0,0,0|3,0,0]=4 708 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000211992 [0,1,0,0,0,0|3,0,0]=4 709 B12R0.272 CCCC(=O)OCC(=O)CC(C)C 1458a_100000210554_100000034017 [0,1,0,0,0,0|3,0,0]=4 710 B12R0.272 CCCC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100000034017 [0,1,0,0,0,0|3,0,0]=4 711 B12R0.272 CCCN(C)CCC(=O)OC(C)C 2230a_100000747261_100000760027 [0,1,0,0,0,0|3,0,0]=4 712 B12R0.272 CCCN(C)CCC(=O)OC(C)C 269982a_100000747261_100000760027 [0,1,0,0,0,0|3,0,0]=4 713 B12R0.272 CCNC(=O)CCC(=O)CC(C)C 1458a_100000199579_100000210624 [0,1,0,0,0,0|2,0,0]=3 714 B12R0.272 CCNC(=O)CCC(=O)CC(C)O 1458a_100000199579_100011218427 [0,1,0,0,0,0|2,0,0]=3 715 B12R0.272 CCNC(=O)CCC(=O)CC(F)F 1458a_100000199579_100011934356 [0,1,0,0,0,0|3,0,0]=4 716 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 11a_100138425928_100000199579 [0,1,0,0,0,0|2,0,0]=3 717 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000199579 [0,1,0,0,0,0|2,0,0]=3 718 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000199579 [0,1,0,0,0,0|2,0,0]=3 719 B12R0.272 CCNC(=O)CCC(=O)NN(C)C 240690a_100015525214_100011219620 [0,1,0,0,0,0|3,0,0]=4 720 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100015525214_100000194594 [0,1,0,0,0,0|3,0,0]=4 721 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100016988866_100000210554 [0,1,0,0,0,0|3,0,0]=4 722 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 1626a_100016988866_100000210554 [0,1,0,0,0,0|3,0,0]=4 723 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100015525214_100000194594 [0,1,0,0,0,0|3,0,0]=4 724 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100016988866_100000210554 [0,1,0,0,0,0|3,0,0]=4 725 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100015525214_100000194594 [0,1,0,0,0,0|3,0,0]=4 726 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100016988866_100000210554 [0,1,0,0,0,0|3,0,0]=4 727 B12R0.272 CCNC(=O)CNC(=O)C[C@@H](C)O 240690a_100016988866_100011933948 [0,1,0,0,0,0|3,0,0]=4 728 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 2708a_100016988866_100138425928 [0,1,0,0,0,0|3,0,0]=4 729 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 2708a_100138425928_100016988866 [0,1,0,0,0,0|3,0,0]=4 730 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 273464a_100138425928_100016988866 [0,1,0,0,0,0|3,0,0]=4 731 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 512a_100016988866_100138425928 [0,1,0,0,0,0|3,0,0]=4 732 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 512a_100138425928_100016988866 [0,1,0,0,0,0|3,0,0]=4 733 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 2708a_100000168517_100015525214 [0,1,0,0,0,0|3,0,0]=4 734 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 2708a_100015525214_100000168517 [0,1,0,0,0,0|3,0,0]=4 735 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 273464a_100000168517_100015525214 [0,1,0,0,0,0|3,0,0]=4 736 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 273464a_100015525214_100000168517 [0,1,0,0,0,0|3,0,0]=4 737 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 512a_100000168517_100015525214 [0,1,0,0,0,0|3,0,0]=4 738 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 512a_100015525214_100000168517 [0,1,0,0,0,0|3,0,0]=4 739 B12R0.272 CCOC(=O)C=CC(=O)CC(C)C 1458a_100000210415_100000210624 [0,1,0,0,0,0|1,0,2]=4 740 B12R0.272 CCOC(=O)C=CC(=O)CC(C)O 1458a_100000210415_100011218427 [0,1,0,0,0,0|1,0,2]=4 741 B12R0.272 CCOC(=O)C=CC(=O)NC(C)C 1626a_100138425928_100000210415 [0,1,0,0,0,0|1,0,2]=4 742 B12R0.272 CCOC(=O)C=CC(=O)NC(C)C 240690a_100138425928_100000210415 [0,1,0,0,0,0|1,0,2]=4 743 B12R0.272 CCOC(=O)CCC(=O)CC(=O)N 1458a_100000183558_100000187820 [0,1,0,0,0,0|2,0,1]=4 744 B12R0.272 CCOC(=O)CCC(=O)CC(=O)[O-] 1458a_100000183558_100020667443 [0,1,0,0,0,0|2,0,1]=4 745 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [0,1,0,0,0,0|1,0,0]=2 746 B12R0.272 CCOC(=O)CCC(=O)CC(C)O 1458a_100000183558_100011218427 [0,1,0,0,0,0|1,0,0]=2 747 B12R0.272 CCOC(=O)CCC(=O)CC(F)F 1458a_100000183558_100011934356 [0,1,0,0,0,0|2,0,0]=3 748 B12R0.272 CCOC(=O)CCC(=O)C[N+](=O)[O-] 1458a_100000183558_100000761209 [0,1,0,0,0,0|3,0,0]=4 749 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 11a_100138425928_100000183558 [0,1,0,0,0,0|1,0,0]=2 750 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000183558 [0,1,0,0,0,0|1,0,0]=2 751 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000183558 [0,1,0,0,0,0|1,0,0]=2 752 B12R0.272 CCOC(=O)CCC(C)NC(C)C 2230a_100138425928_100000748298 [0,1,0,0,0,0|2,0,1]=4 753 B12R0.272 CCOC(=O)CCC(C)NC(C)C 34a_100138425928_100000748298 [0,1,0,0,0,0|2,0,1]=4 754 B12R0.272 CCOC(=O)CCC(C)OC(C)C 34a_100000212225_100000748298 [0,1,0,0,0,0|1,0,1]=3 755 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000210206_100000748298 [0,1,0,0,0,0|1,1,1]=4 756 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000748298_100000210206 [0,1,0,0,0,0|1,1,1]=4 757 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000745921_100000210760 [0,1,0,0,0,0|3,0,0]=4 758 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000747067_100011206558 [0,1,0,0,0,0|3,0,0]=4 759 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000745921_100000210624 [0,1,0,0,0,0|3,0,0]=4 760 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000747067_100011206558 [0,1,0,0,0,0|3,0,0]=4 761 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000227577_100011206558 [0,1,0,0,0,0|3,0,0]=4 762 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000745921_100011218427 [0,1,0,0,0,0|3,0,0]=4 763 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000227577_100011206558 [0,1,0,0,0,0|3,0,0]=4 764 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000745921_100011218427 [0,1,0,0,0,0|3,0,0]=4 765 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 2230a_100000745921_100009817552 [0,1,0,0,0,0|3,0,0]=4 766 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 269982a_100000745921_100009817552 [0,1,0,0,0,0|3,0,0]=4 767 B12R0.272 CCOC(=O)CNC(=O)C=C(C)C 188690a_100000741813_100000211388 [0,1,0,0,0,0|2,0,1]=4 768 B12R0.272 CCOC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100011215850 [0,1,0,0,0,0|2,0,1]=4 769 B12R0.272 CCOC(=O)CNC(=O)CC(C)C 188690a_100000741813_100000210554 [0,1,0,0,0,0|2,0,0]=3 770 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 188690a_100000741813_100000750896 [0,1,0,0,0,0|3,0,0]=4 771 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 2230a_100102631434_100011215850 [0,1,0,0,0,0|3,0,0]=4 772 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 269982a_100102631434_100011215850 [0,1,0,0,0,0|3,0,0]=4 773 B12R0.272 CCOC(=O)CNC(=O)C[C@@H](C)O 188690a_100000741813_100011933948 [0,1,0,0,0,0|2,0,0]=3 774 B12R0.272 CCOC(=O)CNC(=O)C[S+](C)C 188690a_100000741813_200159257847 [0,1,0,0,0,0|3,0,0]=4 775 B12R0.272 CCOC(=O)NCC(=O)CC(C)C 1458a_100000190774_100000210624 [0,1,0,0,0,0|2,0,0]=3 776 B12R0.272 CCOC(=O)NCC(=O)CC(C)O 1458a_100000190774_100011218427 [0,1,0,0,0,0|2,0,0]=3 777 B12R0.272 CCOC(=O)NCC(=O)CC(F)F 1458a_100000190774_100011934356 [0,1,0,0,0,0|3,0,0]=4 778 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 11a_100138425928_100000190774 [0,1,0,0,0,0|2,0,0]=3 779 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000190774 [0,1,0,0,0,0|2,0,0]=3 780 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000190774 [0,1,0,0,0,0|2,0,0]=3 781 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 527a_100138425928_100000190774 [0,1,0,0,0,0|2,0,0]=3 782 B12R0.272 COCC(=O)CCC(=O)NC(C)C 1458a_100000210968_100000737564 [0,1,0,0,0,0|3,0,0]=4 783 B12R0.272 COCC(=O)CCC(=O)OC(C)C 1458a_100000210968_100000760027 [0,1,0,0,0,0|2,0,0]=3 784 B12R0.272 COCC(=O)COC(=O)OC(C)C 1458a_100000210968_100000003507 [0,1,0,0,0,0|3,0,0]=4 785 B12R0.272 CSCC(=O)CCC(=O)NC(C)C 1458a_100000184570_100000737564 [0,1,0,0,0,0|3,0,0]=4 786 B12R0.272 CSCC(=O)CCC(=O)OC(C)C 1458a_100000184570_100000760027 [0,1,0,0,0,0|2,0,0]=3 787 B12R0.272 CSCC(=O)COC(=O)OC(C)C 1458a_100000184570_100000003507 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.17 CC=CC(=O)N1CCOC(=O)C1 11a_100000131268_100000210699 [0,0,0,1,0,0|2,0,1]=4 789 B12R1.17 CC=CC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210699 [0,0,0,1,0,0|2,0,1]=4 790 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,0,0,1,0,0|2,0,0]=3 791 B12R1.17 CCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000211992 [0,0,0,1,0,0|3,0,0]=4 792 B12R1.17 CCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000211992 [0,0,0,1,0,0|3,0,0]=4 793 B12R1.17 CCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000211992 [0,0,0,1,0,0|3,0,0]=4 794 B12R1.17 CCCC(=O)N1CCNC(=O)C1 527a_100000184651_100000211992 [0,0,0,1,0,0|3,0,0]=4 795 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,0,0,1,0,0|2,0,0]=3 796 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,0,0,1,0,0|2,0,0]=3 797 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,0,0,1,0,0|2,0,0]=3 798 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,0,0,1,0,0|3,0,0]=4 799 B12R1.17 CCNC(=O)C1CCNC(=O)C1 11a_100015525214_100000132800 [0,0,0,1,0,0|2,0,0]=3 800 B12R1.17 CCNC(=O)C1CCNC(=O)C1 240690a_100015525214_100000132800 [0,0,0,1,0,0|2,0,0]=3 801 B12R1.17 CCNC(=O)C1CCNC(=O)C1 527a_100015525214_100000132800 [0,0,0,1,0,0|2,0,0]=3 802 B12R1.17 CCNC(=O)N1CCNC(=O)C1 2708a_100015525214_100000184651 [0,0,0,1,0,0|3,0,0]=4 803 B12R1.17 CCNC(=O)N1CCNC(=O)C1 273464a_100015525214_100000184651 [0,0,0,1,0,0|3,0,0]=4 804 B12R1.17 CCNC(=O)N1CCOC(=O)C1 2708a_100015525214_100000131268 [0,0,0,1,0,0|2,0,0]=3 805 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 240690a_100015525214_100000705292 [0,0,0,1,0,0|3,0,0]=4 806 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 527a_100015525214_100000705292 [0,0,0,1,0,0|3,0,0]=4 807 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 2230a_100000759086_200000210301 [0,0,0,1,0,0|3,0,0]=4 808 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 269982a_100000759086_200000210301 [0,0,0,1,0,0|3,0,0]=4 809 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100000759086_200025704644 [0,0,0,1,0,0|3,0,0]=4 810 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100000759086_200025704644 [0,0,0,1,0,0|3,0,0]=4 811 B12R1.17 CNNC(=O)C1CCNC(=O)C1 22a_100016993582_100000132800 [0,0,0,1,0,0|3,0,0]=4 812 B12R1.17 COCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210968 [0,0,0,1,0,0|3,0,0]=4 813 B12R1.17 COCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210968 [0,0,0,1,0,0|3,0,0]=4 814 B12R1.17 COCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210968 [0,0,0,1,0,0|3,0,0]=4 815 B12R1.17 CSCC(=O)N1CCOC(=O)C1 11a_100000131268_100000184570 [0,0,0,1,0,0|3,0,0]=4 816 B12R1.17 CSCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000184570 [0,0,0,1,0,0|3,0,0]=4 817 B12R1.17 CSCC(=O)N1CCOC(=O)C1 527a_100000131268_100000184570 [0,0,0,1,0,0|3,0,0]=4 818 B12R1.17 O=C1CC(CCN1)C(=O)CCF 1458a_100000132800_100011217306 [0,0,0,1,0,0|3,0,0]=4 819 B12R1.17 O=C1CC(CCN1)C(=O)CCO 1458a_100000132800_100000211926 [0,0,0,1,0,0|3,0,0]=4 820 B12R1.17 O=C1CN(CCO1)C(=O)CCO 240690a_100000131268_100011216618 [0,0,0,1,0,0|3,0,0]=4 821 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,0,0,1,0,0|2,0,1]=4 822 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,0,0,1,0,0|1,0,2]=4 823 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,0,0,1,0,0|1,0,2]=4 824 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,0,0,1,0,0|3,0,0]=4 825 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,0,0,1,0,0|2,0,1]=4 826 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,0,0,1,0,0|2,0,1]=4 827 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,0,0,1,0,0|2,0,1]=4 828 B12R1.51 CCNC(=O)CCN1CCCO1 240690a_100015525214_200015187630 [0,0,0,1,0,0|3,0,0]=4 829 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,0,0,1,0,0|3,0,0]=4 830 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,0,0,1,0,0|3,0,0]=4 831 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,0,0,1,0,0|2,0,1]=4 832 B12R1.178 CCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210303 [0,0,0,1,0,0|3,0,0]=4 833 B12R1.178 CCOC(=O)C1CC(C1)OCC 7a_100000093532_100000210202 [0,0,0,1,0,0|1,0,1]=3 834 B12R1.178 CCOC(=O)C1CC(C1)OCF 7a_100000093532_100015361967 [0,0,0,1,0,0|2,0,1]=4 835 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [0,0,0,1,0,0|3,0,0]=4 836 B12R1.318 CCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210303 [0,0,0,1,0,0|2,0,0]=3 837 B12R1.318 CCCC(=O)NC1CCNC1=O 11a_100016995588_100000211992 [0,0,0,1,0,0|3,0,0]=4 838 B12R1.318 CCCC(=O)NC1CCNC1=O 1626a_100016995588_100000211992 [0,0,0,1,0,0|3,0,0]=4 839 B12R1.318 CCCC(=O)NC1CCNC1=O 240690a_100016995588_100000211992 [0,0,0,1,0,0|3,0,0]=4 840 B12R1.318 CCCC(=O)NC1CCNC1=O 527a_100016995588_100000211992 [0,0,0,1,0,0|3,0,0]=4 841 B12R1.318 CCCC(=O)NC1CCSC1=O 11a_100000184058_100000211992 [0,0,0,1,0,0|2,1,0]=4 842 B12R1.318 CCCC(=O)NC1CCSC1=O 1626a_100000184058_100000211992 [0,0,0,1,0,0|2,1,0]=4 843 B12R1.318 CCCC(=O)NC1CCSC1=O 240690a_100000184058_100000211992 [0,0,0,1,0,0|2,1,0]=4 844 B12R1.318 CCCC(=O)NC1CCSC1=O 527a_100000184058_100000211992 [0,0,0,1,0,0|2,1,0]=4 845 B12R1.318 CCNC(=O)CN1CCCC1=O 11a_100015525214_100000189602 [0,0,0,1,0,0|3,0,0]=4 846 B12R1.318 CCNC(=O)CN1CCCC1=O 240690a_100015525214_100000189602 [0,0,0,1,0,0|3,0,0]=4 847 B12R1.318 CCNC(=O)CN1CCCC1=O 527a_100015525214_100000189602 [0,0,0,1,0,0|3,0,0]=4 848 B12R1.318 CCNC(=O)CN1CCOC1=O 11a_100015525214_100011227918 [0,0,0,1,0,0|2,0,0]=3 849 B12R1.318 CCNC(=O)CN1CCOC1=O 240690a_100015525214_100011227918 [0,0,0,1,0,0|2,0,0]=3 850 B12R1.318 CCNC(=O)CN1CCOC1=O 527a_100015525214_100011227918 [0,0,0,1,0,0|2,0,0]=3 851 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100015525214_100016995588 [0,0,0,1,0,0|3,0,0]=4 852 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100016995588_100015525214 [0,0,0,1,0,0|3,0,0]=4 853 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100015525214_100016995588 [0,0,0,1,0,0|3,0,0]=4 854 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100016995588_100015525214 [0,0,0,1,0,0|3,0,0]=4 855 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100015525214_100016995588 [0,0,0,1,0,0|3,0,0]=4 856 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100016995588_100015525214 [0,0,0,1,0,0|3,0,0]=4 857 B12R1.318 CCNC(=O)NC1CCSC1=O 2708a_100015525214_100000184058 [0,0,0,1,0,0|2,1,0]=4 858 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100000184058_100015525214 [0,0,0,1,0,0|2,1,0]=4 859 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100015525214_100000184058 [0,0,0,1,0,0|2,1,0]=4 860 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100000184058_100015525214 [0,0,0,1,0,0|2,1,0]=4 861 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100015525214_100000184058 [0,0,0,1,0,0|2,1,0]=4 862 B12R1.318 CNNC(=O)CN1CCOC1=O 22a_100016993582_100011227918 [0,0,0,1,0,0|3,0,0]=4 863 B12R1.318 O=C(CCF)CN1CCOC1=O 1458a_100011227918_100011217306 [0,0,0,1,0,0|3,0,0]=4 864 B12R1.318 O=C(CCO)CN1CCOC1=O 1458a_100011227918_100000211926 [0,0,0,1,0,0|3,0,0]=4 865 B12R1.467 CCOC(=O)CCN1CC(C1)C 2230a_100000702820_100011206558 [0,0,0,1,0,0|3,0,0]=4 866 B12R1.467 CCOC(=O)CCN1CC(C1)C 269982a_100000702820_100011206558 [0,0,0,1,0,0|3,0,0]=4 867 B12R1.467 CCOC(=O)CCN1CC(C1)C 34a_100000702820_100000765890 [0,0,0,1,0,0|3,0,0]=4 868 B12R1.686 CCCC(=O)COC(=O)C1CC1 1458a_100000211992_100000140896 [0,0,0,1,0,0|3,0,0]=4 869 B12R1.686 CCCC(=O)OCC(=O)C1CC1 1458a_100000210395_100000034017 [0,0,0,1,0,0|3,0,0]=4 870 B12R1.686 CCNC(=O)CNC(=O)C1CC1 11a_100016988866_100000210395 [0,0,0,1,0,0|3,0,0]=4 871 B12R1.686 CCNC(=O)CNC(=O)C1CC1 1626a_100016988866_100000210395 [0,0,0,1,0,0|3,0,0]=4 872 B12R1.686 CCNC(=O)CNC(=O)C1CC1 240690a_100016988866_100000210395 [0,0,0,1,0,0|3,0,0]=4 873 B12R1.686 CCNC(=O)CNC(=O)C1CC1 527a_100016988866_100000210395 [0,0,0,1,0,0|3,0,0]=4 874 B12R1.686 CCOC(=O)CCN(C)C1CC1 2230a_100000226674_100011206558 [0,0,0,1,0,0|3,0,0]=4 875 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000226674_100011206558 [0,0,0,1,0,0|3,0,0]=4 876 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000745921_100000211595 [0,0,0,1,0,0|3,0,0]=4 877 B12R1.686 CCOC(=O)CNC(=O)C1CC1 188690a_100000741813_100000210395 [0,0,0,1,0,0|2,0,0]=3 878 B12R1.686 CCOC(=O)CNC(=O)C1CO1 188690a_100000741813_100000701028 [0,0,0,1,0,0|3,0,0]=4 879 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,0,0,0,1,0|1,0,2]=4 880 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,0,0,0,1,0|1,0,2]=4 881 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,0,0,0,1,0|3,0,0]=4 882 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,0,0,0,1,0|3,0,0]=4 883 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,0,0,0,1,0|3,0,0]=4 884 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,0,0,0,1,0|3,0,0]=4 885 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,0,0,0,1,0|1,0,2]=4 886 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,0,0,0,1,0|1,0,2]=4 887 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,0,0,0,1,0|1,0,2]=4 888 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,0,0,0,1,0|2,0,1]=4 889 B10R0.2 CC#CC(=O)CC(=O)NCC 1458a_100000763181_100000183381 [0,0,0,0,1,0|2,0,1]=4 890 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,0,0,0,1,0|1,0,1]=3 891 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,0,0,0,1,0|2,0,1]=4 892 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,0,0,0,1,0|2,0,1]=4 893 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,0,0,0,1,0|1,0,1]=3 894 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,0,0,0,1,0|2,0,0]=3 895 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,0,0,0,1,0|3,0,0]=4 896 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,0,0,0,1,0|3,0,0]=4 897 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,0,0,0,1,0|3,0,0]=4 898 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,0,0,0,1,0|2,0,0]=3 899 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,0,0,0,1,0|3,0,0]=4 900 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,0,0,0,1,0|1,0,0]=2 901 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,0,0,0,1,0|1,0,0]=2 902 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,0,0,0,1,0|3,0,0]=4 903 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,0,0,0,1,0|3,0,0]=4 904 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,0,0,0,1,0|3,0,0]=4 905 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,0,0,0,1,0|3,0,0]=4 906 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,0,0,0,1,0|3,0,0]=4 907 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,0,0,0,1,0|3,0,0]=4 908 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,0,0,0,1,0|3,0,0]=4 909 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,0,0,0,1,0|3,0,0]=4 910 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,0,0,0,1,0|3,0,0]=4 911 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,0,0,0,1,0|3,0,0]=4 912 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,0,0,0,1,0|3,0,0]=4 913 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,0,0,0,1,0|3,0,0]=4 914 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,0,0,0,1,0|3,0,0]=4 915 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,0,0,0,1,0|3,0,0]=4 916 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,0,0,0,1,0|1,0,0]=2 917 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,0,0,0,1,0|2,0,1]=4 918 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,0,0,0,1,0|2,0,1]=4 919 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,0,0,0,1,0|2,0,1]=4 920 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,0,0,0,1,0|2,0,1]=4 921 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,0,0,0,1,0|2,0,1]=4 922 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,0,0,0,1,0|2,0,1]=4 923 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,0,0,0,1,0|2,0,0]=3 924 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,0,0,0,1,0|2,0,0]=3 925 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,0,0,0,1,0|2,0,0]=3 926 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,0,0,0,1,0|2,0,0]=3 927 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,0,0,0,1,0|2,0,0]=3 928 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,0,0,0,1,0|2,0,0]=3 929 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,0,0,0,1,0|2,0,0]=3 930 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,0,0,0,1,0|2,0,0]=3 931 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,0,0,0,1,0|2,0,0]=3 932 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,0,0,0,1,0|2,0,0]=3 933 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,0,0,0,1,0|1,1,1]=4 934 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,0,0,0,1,0|1,1,1]=4 935 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,0,0,0,1,0|1,0,1]=3 936 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,0,0,0,1,0|2,0,1]=4 937 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,0,0,0,1,0|3,0,0]=4 938 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,0,0,0,1,0|3,0,0]=4 939 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,0,0,0,1,0|3,0,0]=4 940 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000184674 [0,0,0,0,0,1|1,0,2]=4 941 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100011220946_100011215271 [0,0,0,0,0,1|1,0,2]=4 942 B12R0.285 C#CCC(=O)CCNC(=O)OCC 1458a_100011220946_200011445536 [0,0,0,0,0,1|1,0,2]=4 943 B12R0.285 C#CCC(=O)NCCC(=O)OCC 188690a_100000746078_100011220946 [0,0,0,0,0,1|1,0,2]=4 944 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210193_100011215271 [0,0,0,0,0,1|1,0,2]=4 945 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210623 [0,0,0,0,0,1|1,0,2]=4 946 B12R0.285 C=CCC(=O)CCNC(=O)OCC 1458a_100000210193_200011445536 [0,0,0,0,0,1|1,0,2]=4 947 B12R0.285 C=CCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210193 [0,0,0,0,0,1|1,0,2]=4 948 B12R0.285 C=COC(=O)CNCC(=O)NCC 2230a_100016988866_100000036128 [0,0,0,0,0,1|1,0,2]=4 949 B12R0.285 C=COC(=O)CSCC(=O)CCC 62a_100000036128_100000747444 [0,0,0,0,0,1|1,0,2]=4 950 B12R0.285 C=COC(=O)CSCC(=O)CCC 62a_100000747444_100000036128 [0,0,0,0,0,1|1,0,2]=4 951 B12R0.285 C=COC(=O)CSCC(=O)NCC 62a_100000036128_100000183381 [0,0,0,0,0,1|1,0,2]=4 952 B12R0.285 C=COC(=O)CSCC(=O)NCC 62a_100000183381_100000036128 [0,0,0,0,0,1|1,0,2]=4 953 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000036128_100000188475 [0,0,0,0,0,1|0,0,2]=3 954 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000188475_100000036128 [0,0,0,0,0,1|0,0,2]=3 955 B12R0.285 CC#CC(=O)CCCC(=O)OCC 1458a_100000763181_100011215271 [0,0,0,0,0,1|1,0,1]=3 956 B12R0.285 CC#CC(=O)CCNC(=O)OCC 1458a_100000763181_200011445536 [0,0,0,0,0,1|1,0,1]=3 957 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,0,0,0,0,1|1,0,1]=3 958 B12R0.285 CC=CC(=O)CCNC(=O)OCC 1458a_100000210699_200011445536 [0,0,0,0,0,1|1,0,1]=3 959 B12R0.285 CC=CC(=O)NCCC(=O)NCC 11a_100025743525_100000210699 [0,0,0,0,0,1|2,0,1]=4 960 B12R0.285 CC=CC(=O)NCCC(=O)NCC 1626a_100025743525_100000210699 [0,0,0,0,0,1|2,0,1]=4 961 B12R0.285 CC=CC(=O)NCCC(=O)NCC 240690a_100025743525_100000210699 [0,0,0,0,0,1|2,0,1]=4 962 B12R0.285 CC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000210699 [0,0,0,0,0,1|1,0,1]=3 963 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,0,0,0,0,1|2,0,0]=3 964 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,0,0,0,0,1|1,0,0]=2 965 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,0,0,0,0,1|1,0,0]=2 966 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,0,0,0,0,1|1,0,0]=2 967 B12R0.285 CCCC(=O)CCSC(=S)NCC 1458a_200009862762_100000210303 [0,0,0,0,0,1|2,1,0]=4 968 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,0,0,0,0,1|2,0,0]=3 969 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,0,0,0,0,1|2,0,0]=3 970 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,0,0,0,0,1|2,0,0]=3 971 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,0,0,0,0,1|2,0,0]=3 972 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000185155_100000747444 [0,0,0,0,0,1|3,0,0]=4 973 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000747444_100000185155 [0,0,0,0,0,1|3,0,0]=4 974 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,0,0,0,0,1|1,0,0]=2 975 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,0,0,0,0,1|1,0,0]=2 976 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,0,0,0,0,1|2,0,0]=3 977 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,0,0,0,0,1|2,0,0]=3 978 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,0,0,0,0,1|2,0,0]=3 979 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,0,0,0,0,1|2,0,0]=3 980 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,0,0,0,0,1|1,0,0]=2 981 B12R0.285 CCCC(=O)NN=CC(=O)OCC 4a_100000189770_100000742314 [0,0,0,0,0,1|2,0,1]=4 982 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,0,0,0,0,1|2,0,1]=4 983 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,0,0,0,0,1|2,0,1]=4 984 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,0,0,0,0,1|2,0,1]=4 985 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,0,0,0,0,1|2,0,1]=4 986 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,0,0,0,0,1|2,0,1]=4 987 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,0,0,0,0,1|2,0,1]=4 988 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,0,0,0,0,1|2,0,1]=4 989 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,0,0,0,0,1|2,0,1]=4 990 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,0,0,0,0,1|2,0,1]=4 991 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,0,0,0,0,1|3,0,0]=4 992 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,0,0,0,0,1|3,0,0]=4 993 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,0,0,0,0,1|3,0,0]=4 994 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,0,0,0,0,1|2,0,1]=4 995 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,0,0,0,0,1|3,0,0]=4 996 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,0,0,0,0,1|3,0,0]=4 997 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,0,0,0,0,1|2,0,0]=3 998 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,0,0,0,0,1|2,0,0]=3 999 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,0,0,0,0,1|2,0,0]=3 1000 B12R0.285 CCNC(=O)CCCC(=O)NNC 22a_100016993582_100000199580 [0,0,0,0,0,1|3,0,0]=4 1001 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,0,0,0,0,1|1,0,0]=2 1002 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,0,0,0,0,1|1,0,0]=2 1003 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,0,0,0,0,1|1,0,0]=2 1004 B12R0.285 CCNC(=O)CCNC(=O)CCO 240690a_100025743525_100011216618 [0,0,0,0,0,1|3,0,0]=4 1005 B12R0.285 CCNC(=O)CCNC(=O)COC 11a_100025743525_100000210968 [0,0,0,0,0,1|3,0,0]=4 1006 B12R0.285 CCNC(=O)CCNC(=O)COC 1626a_100025743525_100000210968 [0,0,0,0,0,1|3,0,0]=4 1007 B12R0.285 CCNC(=O)CCNC(=O)COC 240690a_100025743525_100000210968 [0,0,0,0,0,1|3,0,0]=4 1008 B12R0.285 CCNC(=O)CCNC(=O)COC 527a_100025743525_100000210968 [0,0,0,0,0,1|3,0,0]=4 1009 B12R0.285 CCNC(=O)CCNC(=O)CSC 11a_100025743525_100000184570 [0,0,0,0,0,1|3,0,0]=4 1010 B12R0.285 CCNC(=O)CCNC(=O)CSC 1626a_100025743525_100000184570 [0,0,0,0,0,1|3,0,0]=4 1011 B12R0.285 CCNC(=O)CCNC(=O)CSC 240690a_100025743525_100000184570 [0,0,0,0,0,1|3,0,0]=4 1012 B12R0.285 CCNC(=O)CCNC(=O)CSC 527a_100025743525_100000184570 [0,0,0,0,0,1|3,0,0]=4 1013 B12R0.285 CCNC(=O)CCNC(=O)NCC 2708a_100015525214_100025743525 [0,0,0,0,0,1|2,0,0]=3 1014 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100015525214_100025743525 [0,0,0,0,0,1|2,0,0]=3 1015 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100025743525_100015525214 [0,0,0,0,0,1|2,0,0]=3 1016 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100015525214_100025743525 [0,0,0,0,0,1|2,0,0]=3 1017 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100025743525_100015525214 [0,0,0,0,0,1|2,0,0]=3 1018 B12R0.285 CCNC(=O)CCNC(=O)NNC 273464a_100025743525_100016993582 [0,0,0,0,0,1|3,0,0]=4 1019 B12R0.285 CCNC(=O)CCNC(=O)NNC 512a_100016993582_100025743525 [0,0,0,0,0,1|3,0,0]=4 1020 B12R0.285 CCNC(=O)CCNC(=O)NNC 512a_100025743525_100016993582 [0,0,0,0,0,1|3,0,0]=4 1021 B12R0.285 CCNC(=O)CCSC(=S)NCC 11a_100015525214_200009862762 [0,0,0,0,0,1|2,1,0]=4 1022 B12R0.285 CCNC(=O)CCSC(=S)NCC 240690a_100015525214_200009862762 [0,0,0,0,0,1|2,1,0]=4 1023 B12R0.285 CCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000183381 [0,0,0,0,0,1|2,0,0]=3 1024 B12R0.285 CCNC(=O)CNCC(=O)NCO 2230a_100016988866_100000185155 [0,0,0,0,0,1|3,0,0]=4 1025 B12R0.285 CCNC(=O)CNCC(=O)OCC 2230a_100016988866_100000188475 [0,0,0,0,0,1|1,0,0]=2 1026 B12R0.285 CCNC(=O)CSCC(=O)NCC 62a_100000183381_100000183381 [0,0,0,0,0,1|2,0,0]=3 1027 B12R0.285 CCNC(=O)CSCC(=O)NCO 62a_100000183381_100000185155 [0,0,0,0,0,1|3,0,0]=4 1028 B12R0.285 CCNC(=O)CSCC(=O)NCO 62a_100000185155_100000183381 [0,0,0,0,0,1|3,0,0]=4 1029 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000183381_100000188475 [0,0,0,0,0,1|1,0,0]=2 1030 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183381 [0,0,0,0,0,1|1,0,0]=2 1031 B12R0.285 CCOC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215271 [0,0,0,0,0,1|2,0,1]=4 1032 B12R0.285 CCOC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215271 [0,0,0,0,0,1|2,0,1]=4 1033 B12R0.285 CCOC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215271 [0,0,0,0,0,1|2,0,1]=4 1034 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100000210991_100011214920 [0,0,0,0,0,1|2,0,1]=4 1035 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215271 [0,0,0,0,0,1|2,0,1]=4 1036 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,0,0,0,0,1|2,0,0]=3 1037 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,0,0,0,0,1|2,0,0]=3 1038 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,0,0,0,0,1|2,0,0]=3 1039 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,0,0,0,0,1|2,0,0]=3 1040 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,0,0,0,0,1|2,0,0]=3 1041 B12R0.285 CCOC(=O)CCCC(=O)NNC 22a_100016993582_100000210991 [0,0,0,0,0,1|2,0,0]=3 1042 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,0,0,0,0,1|2,0,0]=3 1043 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,0,0,0,0,1|2,0,0]=3 1044 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000185155_100000188475 [0,0,0,0,0,1|2,0,0]=3 1045 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000188475_100000185155 [0,0,0,0,0,1|2,0,0]=3 1046 B12R0.285 CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000188475 [0,0,0,0,0,1|0,0,0]=1 1047 B12R0.285 CCOC(=O)NCCC(=O)C=CBr 1458a_100016273825_200011445536 [0,0,0,0,0,1|2,0,1]=4 1048 B12R0.285 CCOC(=O)NCCC(=O)C=CCl 1458a_200016279998_200011445536 [0,0,0,0,0,1|2,0,1]=4 1049 B12R0.285 CCOC(=O)NCCC(=O)C=CI 1458a_100016256311_200011445536 [0,0,0,0,0,1|2,0,1]=4 1050 B12R0.285 CCOC(=O)NCCC(=O)CC#N 1458a_100051588842_200011445536 [0,0,0,0,0,1|2,0,1]=4 1051 B12R0.285 CCOC(=O)NCCC(=O)CCO 1458a_100011216618_200011445536 [0,0,0,0,0,1|2,0,0]=3 1052 B12R0.285 CCOC(=O)NCCC(=O)COC 1458a_100000210968_200011445536 [0,0,0,0,0,1|2,0,0]=3 1053 B12R0.285 CCOC(=O)NCCC(=O)CSC 1458a_100000184570_200011445536 [0,0,0,0,0,1|2,0,0]=3 1054 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [2,0,0,0,0,0|1,0,1]=4 1055 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [2,0,0,0,0,0|1,0,1]=4 1056 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [2,0,0,0,0,0|1,0,1]=4 1057 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [2,0,0,0,0,0|1,0,1]=4 1058 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [2,0,0,0,0,0|1,0,1]=4 1059 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [2,0,0,0,0,0|1,0,1]=4 1060 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [2,0,0,0,0,0|1,0,1]=4 1061 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [2,0,0,0,0,0|1,0,1]=4 1062 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,0,0,0,0|1,0,1]=4 1063 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,0,0,0,0|1,0,1]=4 1064 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,0,0,0,0|1,0,0]=3 1065 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,0,0,0,0|1,0,0]=3 1066 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,0,0,0,0|1,1,0]=4 1067 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,0,0,0,0|1,1,0]=4 1068 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [2,0,0,0,0,0|2,0,0]=4 1069 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|1,0,1]=4 1070 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|1,0,1]=4 1071 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 1072 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 1073 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|1,0,1]=4 1074 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [2,0,0,0,0,0|1,0,1]=4 1075 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [2,0,0,0,0,0|1,0,1]=4 1076 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [2,0,0,0,0,0|1,0,1]=4 1077 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [2,0,0,0,0,0|1,0,1]=4 1078 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [2,0,0,0,0,0|1,0,1]=4 1079 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [2,0,0,0,0,0|1,0,1]=4 1080 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [2,0,0,0,0,0|1,0,1]=4 1081 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [2,0,0,0,0,0|1,0,1]=4 1082 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [2,0,0,0,0,0|1,0,0]=3 1083 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [2,0,0,0,0,0|1,0,0]=3 1084 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [2,0,0,0,0,0|1,0,0]=3 1085 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [2,0,0,0,0,0|1,1,0]=4 1086 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [2,0,0,0,0,0|1,1,0]=4 1087 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [2,0,0,0,0,0|1,1,0]=4 1088 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [2,0,0,0,0,0|1,1,0]=4 1089 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [2,0,0,0,0,0|1,1,0]=4 1090 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [2,0,0,0,0,0|2,0,0]=4 1091 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [2,0,0,0,0,0|2,0,0]=4 1092 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [2,0,0,0,0,0|1,0,0]=3 1093 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [2,0,0,0,0,0|1,0,1]=4 1094 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [2,0,0,0,0,0|1,0,1]=4 1095 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [2,0,0,0,0,0|1,0,1]=4 1096 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [2,0,0,0,0,0|0,0,1]=3 1097 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [2,0,0,0,0,0|0,0,1]=3 1098 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [2,0,0,0,0,0|0,0,1]=3 1099 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [2,0,0,0,0,0|0,1,1]=4 1100 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [2,0,0,0,0,0|0,1,1]=4 1101 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [2,0,0,0,0,0|0,1,1]=4 1102 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [2,0,0,0,0,0|0,1,1]=4 1103 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [2,0,0,0,0,0|0,1,0]=3 1104 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [2,0,0,0,0,0|0,1,0]=3 1105 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [2,0,0,0,0,0|1,1,0]=4 1106 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [2,0,0,0,0,0|1,1,0]=4 1107 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [2,0,0,0,0,0|1,0,1]=4 1108 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [2,0,0,0,0,0|1,0,1]=4 1109 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [2,0,0,0,0,0|1,0,1]=4 1110 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [2,0,0,0,0,0|1,0,1]=4 1111 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [2,0,0,0,0,0|1,1,0]=4 1112 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [2,0,0,0,0,0|2,0,0]=4 1113 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [2,0,0,0,0,0|2,0,0]=4 1114 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [2,0,0,0,0,0|2,0,0]=4 1115 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [2,0,0,0,0,0|2,0,0]=4 1116 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [2,0,0,0,0,0|2,0,0]=4 1117 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [2,0,0,0,0,0|2,0,0]=4 1118 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [2,0,0,0,0,0|0,0,0]=2 1119 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 1120 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 1121 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [2,0,0,0,0,0|1,0,0]=3 1122 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [2,0,0,0,0,0|2,0,0]=4 1123 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [2,0,0,0,0,0|1,0,1]=4 1124 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|1,0,1]=4 1125 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|1,0,1]=4 1126 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [2,0,0,0,0,0|2,0,0]=4 1127 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [2,0,0,0,0,0|2,0,0]=4 1128 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [2,0,0,0,0,0|2,0,0]=4 1129 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [2,0,0,0,0,0|2,0,0]=4 1130 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [2,0,0,0,0,0|1,0,1]=4 1131 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,0,0,0,0|0,0,1]=3 1132 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [2,0,0,0,0,0|1,0,1]=4 1133 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [2,0,0,0,0,0|1,0,1]=4 1134 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [2,0,0,0,0,0|0,0,1]=3 1135 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [2,0,0,0,0,0|1,0,1]=4 1136 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [2,0,0,0,0,0|1,0,1]=4 1137 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [2,0,0,0,0,0|1,0,1]=4 1138 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [2,0,0,0,0,0|1,0,1]=4 1139 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [2,0,0,0,0,0|1,0,1]=4 1140 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [2,0,0,0,0,0|1,0,1]=4 1141 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [2,0,0,0,0,0|1,0,1]=4 1142 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [2,0,0,0,0,0|1,0,1]=4 1143 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [2,0,0,0,0,0|1,0,1]=4 1144 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [2,0,0,0,0,0|1,0,1]=4 1145 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [2,0,0,0,0,0|1,0,1]=4 1146 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [2,0,0,0,0,0|1,0,1]=4 1147 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [2,0,0,0,0,0|1,0,1]=4 1148 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [2,0,0,0,0,0|0,1,1]=4 1149 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [2,0,0,0,0,0|0,1,1]=4 1150 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [2,0,0,0,0,0|1,0,0]=3 1151 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [2,0,0,0,0,0|0,0,0]=2 1152 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [2,0,0,0,0,0|1,0,1]=4 1153 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [2,0,0,0,0,0|2,0,0]=4 1154 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [2,0,0,0,0,0|1,0,0]=3 1155 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [2,0,0,0,0,0|1,0,0]=3 1156 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [2,0,0,0,0,0|1,0,0]=3 1157 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [2,0,0,0,0,0|2,0,0]=4 1158 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [2,0,0,0,0,0|2,0,0]=4 1159 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [2,0,0,0,0,0|2,0,0]=4 1160 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [2,0,0,0,0,0|2,0,0]=4 1161 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [2,0,0,0,0,0|2,0,0]=4 1162 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [2,0,0,0,0,0|2,0,0]=4 1163 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [2,0,0,0,0,0|2,0,0]=4 1164 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [2,0,0,0,0,0|2,0,0]=4 1165 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [2,0,0,0,0,0|1,0,0]=3 1166 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [2,0,0,0,0,0|2,0,0]=4 1167 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [2,0,0,0,0,0|2,0,0]=4 1168 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [2,0,0,0,0,0|2,0,0]=4 1169 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [2,0,0,0,0,0|2,0,0]=4 1170 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [2,0,0,0,0,0|2,0,0]=4 1171 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [2,0,0,0,0,0|2,0,0]=4 1172 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [2,0,0,0,0,0|2,0,0]=4 1173 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [2,0,0,0,0,0|2,0,0]=4 1174 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [2,0,0,0,0,0|2,0,0]=4 1175 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [2,0,0,0,0,0|2,0,0]=4 1176 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [2,0,0,0,0,0|2,0,0]=4 1177 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [2,0,0,0,0,0|2,0,0]=4 1178 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [2,0,0,0,0,0|2,0,0]=4 1179 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [2,0,0,0,0,0|2,0,0]=4 1180 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [2,0,0,0,0,0|2,0,0]=4 1181 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [2,0,0,0,0,0|2,0,0]=4 1182 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [2,0,0,0,0,0|2,0,0]=4 1183 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [2,0,0,0,0,0|2,0,0]=4 1184 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [2,0,0,0,0,0|1,0,0]=3 1185 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [2,0,0,0,0,0|1,0,0]=3 1186 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [2,0,0,0,0,0|1,0,0]=3 1187 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [2,0,0,0,0,0|1,0,0]=3 1188 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [2,0,0,0,0,0|2,0,0]=4 1189 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [2,0,0,0,0,0|2,0,0]=4 1190 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [2,0,0,0,0,0|2,0,0]=4 1191 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [2,0,0,0,0,0|2,0,0]=4 1192 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [2,0,0,0,0,0|1,0,0]=3 1193 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [2,0,0,0,0,0|2,0,0]=4 1194 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [2,0,0,0,0,0|2,0,0]=4 1195 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [2,0,0,0,0,0|2,0,0]=4 1196 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [2,0,0,0,0,0|2,0,0]=4 1197 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [2,0,0,0,0,0|2,0,0]=4 1198 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [2,0,0,0,0,0|2,0,0]=4 1199 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [2,0,0,0,0,0|2,0,0]=4 1200 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [2,0,0,0,0,0|2,0,0]=4 1201 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [2,0,0,0,0,0|2,0,0]=4 1202 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [2,0,0,0,0,0|2,0,0]=4 1203 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [2,0,0,0,0,0|2,0,0]=4 1204 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [2,0,0,0,0,0|2,0,0]=4 1205 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [2,0,0,0,0,0|1,0,0]=3 1206 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [2,0,0,0,0,0|2,0,0]=4 1207 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [2,0,0,0,0,0|2,0,0]=4 1208 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [2,0,0,0,0,0|1,0,0]=3 1209 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [2,0,0,0,0,0|2,0,0]=4 1210 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [2,0,0,0,0,0|2,0,0]=4 1211 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [2,0,0,0,0,0|2,0,0]=4 1212 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [2,0,0,0,0,0|2,0,0]=4 1213 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [2,0,0,0,0,0|2,0,0]=4 1214 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [2,0,0,0,0,0|2,0,0]=4 1215 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [2,0,0,0,0,0|2,0,0]=4 1216 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [2,0,0,0,0,0|2,0,0]=4 1217 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [2,0,0,0,0,0|2,0,0]=4 1218 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [2,0,0,0,0,0|2,0,0]=4 1219 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [2,0,0,0,0,0|2,0,0]=4 1220 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [2,0,0,0,0,0|0,0,2]=4 1221 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [2,0,0,0,0,0|0,0,2]=4 1222 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [2,0,0,0,0,0|0,0,0]=2 1223 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [2,0,0,0,0,0|0,0,0]=2 1224 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [2,0,0,0,0,0|2,0,0]=4 1225 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [2,0,0,0,0,0|2,0,0]=4 1226 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [2,0,0,0,0,0|2,0,0]=4 1227 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [2,0,0,0,0,0|2,0,0]=4 1228 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [2,0,0,0,0,0|2,0,0]=4 1229 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [2,0,0,0,0,0|2,0,0]=4 1230 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [2,0,0,0,0,0|1,0,0]=3 1231 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [2,0,0,0,0,0|1,0,0]=3 1232 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [2,0,0,0,0,0|1,0,0]=3 1233 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [1,1,0,0,0,0|2,0,0]=4 1234 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [1,1,0,0,0,0|2,0,0]=4 1235 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [1,1,0,0,0,0|2,0,0]=4 1236 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [1,1,0,0,0,0|2,0,0]=4 1237 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [1,1,0,0,0,0|1,0,1]=4 1238 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [1,1,0,0,0,0|1,0,1]=4 1239 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100000739092_100011215430 [1,1,0,0,0,0|1,0,1]=4 1240 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100011215430_100000739092 [1,1,0,0,0,0|1,0,1]=4 1241 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [1,1,0,0,0,0|0,0,2]=4 1242 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [1,1,0,0,0,0|0,0,2]=4 1243 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [1,1,0,0,0,0|0,0,2]=4 1244 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [1,1,0,0,0,0|0,0,2]=4 1245 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [1,1,0,0,0,0|2,0,0]=4 1246 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [1,1,0,0,0,0|2,0,0]=4 1247 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [1,1,0,0,0,0|1,0,0]=3 1248 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [1,1,0,0,0,0|2,0,0]=4 1249 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [1,1,0,0,0,0|2,0,0]=4 1250 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [1,1,0,0,0,0|2,0,0]=4 1251 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [1,1,0,0,0,0|2,0,0]=4 1252 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [1,1,0,0,0,0|1,0,0]=3 1253 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [1,1,0,0,0,0|1,0,0]=3 1254 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [1,1,0,0,0,0|1,0,1]=4 1255 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [1,1,0,0,0,0|1,0,1]=4 1256 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [1,1,0,0,0,0|1,0,1]=4 1257 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [1,1,0,0,0,0|1,0,1]=4 1258 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [1,1,0,0,0,0|1,0,1]=4 1259 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [1,1,0,0,0,0|1,0,1]=4 1260 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [1,1,0,0,0,0|1,0,1]=4 1261 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [1,1,0,0,0,0|1,0,1]=4 1262 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [1,1,0,0,0,0|1,0,1]=4 1263 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [1,1,0,0,0,0|1,0,1]=4 1264 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [1,1,0,0,0,0|1,0,1]=4 1265 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [1,1,0,0,0,0|1,0,1]=4 1266 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [1,1,0,0,0,0|1,0,1]=4 1267 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [1,1,0,0,0,0|1,0,1]=4 1268 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [1,1,0,0,0,0|1,0,1]=4 1269 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [1,1,0,0,0,0|1,0,1]=4 1270 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [1,1,0,0,0,0|1,0,1]=4 1271 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [1,1,0,0,0,0|1,0,1]=4 1272 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [1,1,0,0,0,0|1,0,1]=4 1273 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [1,1,0,0,0,0|1,0,1]=4 1274 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [1,1,0,0,0,0|1,0,1]=4 1275 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [1,1,0,0,0,0|1,0,1]=4 1276 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [1,1,0,0,0,0|0,0,1]=3 1277 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [1,1,0,0,0,0|0,0,1]=3 1278 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [1,1,0,0,0,0|1,0,1]=4 1279 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [1,1,0,0,0,0|0,1,1]=4 1280 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [1,1,0,0,0,0|0,1,1]=4 1281 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [1,1,0,0,0,0|2,0,0]=4 1282 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [1,1,0,0,0,0|1,0,1]=4 1283 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [1,1,0,0,0,0|1,0,1]=4 1284 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [1,1,0,0,0,0|1,0,1]=4 1285 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [1,1,0,0,0,0|1,0,1]=4 1286 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [1,1,0,0,0,0|1,0,1]=4 1287 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [1,1,0,0,0,0|1,0,1]=4 1288 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [1,1,0,0,0,0|1,0,1]=4 1289 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [1,1,0,0,0,0|1,0,1]=4 1290 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [1,1,0,0,0,0|1,0,1]=4 1291 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [1,1,0,0,0,0|1,0,1]=4 1292 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [1,1,0,0,0,0|1,0,1]=4 1293 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [1,1,0,0,0,0|1,0,1]=4 1294 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [1,1,0,0,0,0|1,0,1]=4 1295 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [1,1,0,0,0,0|1,0,1]=4 1296 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [1,1,0,0,0,0|1,0,1]=4 1297 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,1,0,0,0,0|1,0,1]=4 1298 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [1,1,0,0,0,0|1,0,1]=4 1299 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,1,0,0,0,0|1,0,1]=4 1300 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,1,0,0,0,0|1,0,1]=4 1301 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,1,0,0,0,0|1,0,1]=4 1302 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,1,0,0,0,0|1,0,1]=4 1303 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,1,0,0,0,0|1,0,1]=4 1304 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,1,0,0,0,0|1,0,1]=4 1305 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,1,0,0,0,0|1,0,1]=4 1306 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,1,0,0,0,0|1,0,1]=4 1307 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,1,0,0,0,0|1,0,1]=4 1308 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,1,0,0,0,0|1,0,1]=4 1309 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,1,0,0,0,0|0,1,1]=4 1310 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,1,0,0,0,0|0,1,1]=4 1311 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [1,1,0,0,0,0|1,0,1]=4 1312 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [1,1,0,0,0,0|1,0,1]=4 1313 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [1,1,0,0,0,0|1,0,1]=4 1314 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [1,1,0,0,0,0|0,0,2]=4 1315 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [1,1,0,0,0,0|0,0,2]=4 1316 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [1,1,0,0,0,0|0,0,1]=3 1317 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [1,1,0,0,0,0|0,0,1]=3 1318 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [1,1,0,0,0,0|0,0,1]=3 1319 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [1,1,0,0,0,0|0,0,1]=3 1320 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [1,1,0,0,0,0|0,1,1]=4 1321 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [1,1,0,0,0,0|0,1,1]=4 1322 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [1,1,0,0,0,0|0,1,1]=4 1323 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [1,1,0,0,0,0|0,1,1]=4 1324 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [1,1,0,0,0,0|0,1,1]=4 1325 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [1,1,0,0,0,0|0,1,1]=4 1326 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [1,1,0,0,0,0|0,1,1]=4 1327 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [1,1,0,0,0,0|0,1,1]=4 1328 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [1,1,0,0,0,0|2,0,0]=4 1329 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [1,1,0,0,0,0|2,0,0]=4 1330 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [1,1,0,0,0,0|2,0,0]=4 1331 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [1,1,0,0,0,0|2,0,0]=4 1332 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [1,1,0,0,0,0|2,0,0]=4 1333 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [1,1,0,0,0,0|2,0,0]=4 1334 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [1,1,0,0,0,0|2,0,0]=4 1335 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [1,1,0,0,0,0|2,0,0]=4 1336 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,1,0,0,0,0|2,0,0]=4 1337 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [1,1,0,0,0,0|2,0,0]=4 1338 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [1,1,0,0,0,0|2,0,0]=4 1339 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [1,1,0,0,0,0|2,0,0]=4 1340 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [1,1,0,0,0,0|2,0,0]=4 1341 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [1,1,0,0,0,0|2,0,0]=4 1342 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [1,1,0,0,0,0|2,0,0]=4 1343 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [1,1,0,0,0,0|2,0,0]=4 1344 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [1,1,0,0,0,0|2,0,0]=4 1345 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [1,1,0,0,0,0|2,0,0]=4 1346 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [1,1,0,0,0,0|2,0,0]=4 1347 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [1,1,0,0,0,0|0,1,1]=4 1348 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [1,1,0,0,0,0|0,1,1]=4 1349 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [1,1,0,0,0,0|0,1,1]=4 1350 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [1,1,0,0,0,0|0,1,1]=4 1351 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [1,1,0,0,0,0|0,1,1]=4 1352 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [1,1,0,0,0,0|1,0,1]=4 1353 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [1,1,0,0,0,0|0,1,1]=4 1354 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [1,1,0,0,0,0|0,1,1]=4 1355 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [1,1,0,0,0,0|1,0,1]=4 1356 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [1,1,0,0,0,0|1,0,1]=4 1357 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [1,1,0,0,0,0|1,0,1]=4 1358 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,1,0,0,0,0|0,0,1]=3 1359 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [1,1,0,0,0,0|0,0,1]=3 1360 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [1,1,0,0,0,0|0,0,1]=3 1361 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [1,1,0,0,0,0|0,0,1]=3 1362 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [1,1,0,0,0,0|0,0,1]=3 1363 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [1,1,0,0,0,0|0,0,1]=3 1364 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [1,1,0,0,0,0|0,0,1]=3 1365 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [1,1,0,0,0,0|0,0,1]=3 1366 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [1,1,0,0,0,0|0,0,1]=3 1367 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [1,1,0,0,0,0|0,0,1]=3 1368 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [1,1,0,0,0,0|0,0,1]=3 1369 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [1,1,0,0,0,0|1,0,1]=4 1370 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [1,1,0,0,0,0|1,0,1]=4 1371 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,1,0,0,0,0|2,0,0]=4 1372 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,1,0,0,0,0|2,0,0]=4 1373 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,1,0,0,0,0|2,0,0]=4 1374 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,1,0,0,0,0|0,1,1]=4 1375 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,1,0,0,0,0|0,1,1]=4 1376 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [1,1,0,0,0,0|0,0,2]=4 1377 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,1,0,0,0,0|0,0,1]=3 1378 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [1,1,0,0,0,0|2,0,0]=4 1379 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [1,1,0,0,0,0|2,0,0]=4 1380 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [1,1,0,0,0,0|2,0,0]=4 1381 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [1,1,0,0,0,0|1,0,0]=3 1382 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [1,1,0,0,0,0|1,1,0]=4 1383 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [1,1,0,0,0,0|2,0,0]=4 1384 B11R0.81 CCC#CC(=O)CCCOCC 1458a_100011827653_100012232248 [1,1,0,0,0,0|1,0,1]=4 1385 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [1,1,0,0,0,0|2,0,0]=4 1386 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [1,1,0,0,0,0|1,0,1]=4 1387 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,1,0,0,0,0|1,0,1]=4 1388 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,1,0,0,0,0|1,0,1]=4 1389 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [1,1,0,0,0,0|1,0,1]=4 1390 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [1,1,0,0,0,0|1,0,1]=4 1391 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [1,1,0,0,0,0|2,0,0]=4 1392 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [1,1,0,0,0,0|1,0,1]=4 1393 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [1,1,0,0,0,0|1,0,1]=4 1394 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [1,1,0,0,0,0|0,0,1]=3 1395 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [1,1,0,0,0,0|0,1,1]=4 1396 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [1,1,0,0,0,0|1,0,1]=4 1397 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [1,1,0,0,0,0|1,0,1]=4 1398 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [1,1,0,0,0,0|1,0,1]=4 1399 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [1,1,0,0,0,0|1,0,1]=4 1400 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [1,1,0,0,0,0|1,0,1]=4 1401 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [1,1,0,0,0,0|2,0,0]=4 1402 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [1,1,0,0,0,0|2,0,0]=4 1403 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [1,1,0,0,0,0|1,0,1]=4 1404 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [1,1,0,0,0,0|1,0,1]=4 1405 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [1,1,0,0,0,0|1,0,1]=4 1406 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [1,1,0,0,0,0|1,0,1]=4 1407 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [1,1,0,0,0,0|1,0,1]=4 1408 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [1,1,0,0,0,0|1,0,1]=4 1409 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [1,1,0,0,0,0|1,0,1]=4 1410 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [1,1,0,0,0,0|1,0,1]=4 1411 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [1,1,0,0,0,0|1,0,1]=4 1412 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [1,1,0,0,0,0|1,0,1]=4 1413 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [1,1,0,0,0,0|2,0,0]=4 1414 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [1,1,0,0,0,0|2,0,0]=4 1415 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [1,1,0,0,0,0|2,0,0]=4 1416 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [1,1,0,0,0,0|2,0,0]=4 1417 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [1,1,0,0,0,0|2,0,0]=4 1418 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [1,1,0,0,0,0|1,0,1]=4 1419 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [1,1,0,0,0,0|1,0,1]=4 1420 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [1,1,0,0,0,0|0,0,1]=3 1421 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [1,1,0,0,0,0|0,0,1]=3 1422 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [1,1,0,0,0,0|0,1,1]=4 1423 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [1,1,0,0,0,0|0,1,1]=4 1424 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [1,1,0,0,0,0|2,0,0]=4 1425 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [1,1,0,0,0,0|2,0,0]=4 1426 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [1,1,0,0,0,0|2,0,0]=4 1427 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [1,1,0,0,0,0|2,0,0]=4 1428 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [1,1,0,0,0,0|2,0,0]=4 1429 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [1,1,0,0,0,0|2,0,0]=4 1430 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [1,1,0,0,0,0|2,0,0]=4 1431 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [1,1,0,0,0,0|2,0,0]=4 1432 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [1,1,0,0,0,0|2,0,0]=4 1433 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [1,1,0,0,0,0|2,0,0]=4 1434 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [1,1,0,0,0,0|2,0,0]=4 1435 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [1,1,0,0,0,0|2,0,0]=4 1436 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [1,1,0,0,0,0|2,0,0]=4 1437 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [1,1,0,0,0,0|2,0,0]=4 1438 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [1,1,0,0,0,0|2,0,0]=4 1439 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [1,1,0,0,0,0|1,0,1]=4 1440 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [1,1,0,0,0,0|1,0,1]=4 1441 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [1,1,0,0,0,0|1,0,1]=4 1442 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_100000724800_100011206558 [1,1,0,0,0,0|2,0,0]=4 1443 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_200011277716_100000210202 [1,1,0,0,0,0|2,0,0]=4 1444 B11R0.9 CCOC(=O)CCN(CC)CC 269956a_100000042499_100000765890 [1,1,0,0,0,0|2,0,0]=4 1445 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_100000724800_100011206558 [1,1,0,0,0,0|2,0,0]=4 1446 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_200011277716_100000204670 [1,1,0,0,0,0|2,0,0]=4 1447 B11R0.9 CCOC(=O)CCN(CC)CF 269982a_200011277716_100015361967 [1,1,0,0,0,0|2,0,0]=4 1448 B11R0.43 CCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210303 [1,1,0,0,0,0|1,0,0]=3 1449 B11R0.43 CCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210303 [1,1,0,0,0,0|2,0,0]=4 1450 B11R0.43 CCCC(=O)N(C)CC(=O)OC 11a_100000198492_100000211992 [1,1,0,0,0,0|2,0,0]=4 1451 B11R0.43 CCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000211992 [1,1,0,0,0,0|2,0,0]=4 1452 B11R0.43 CCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000211992 [1,1,0,0,0,0|2,0,0]=4 1453 B11R0.43 CCCC(=O)N(C)CC(=O)OC 527a_100000198492_100000211992 [1,1,0,0,0,0|2,0,0]=4 1454 B11R0.43 CCNC(=O)C(=O)CC(=O)CC 1458a_200011297158_100000747405 [1,1,0,0,0,0|1,0,1]=4 1455 B11R0.43 CCNC(=O)C(=O)CC(=O)OC 1458a_200011297158_100000747449 [1,1,0,0,0,0|1,0,1]=4 1456 B11R0.43 CCNC(=O)C(C)CC(=O)OC 240690a_100015525214_100000037256 [1,1,0,0,0,0|1,0,0]=3 1457 B11R0.43 CCNC(=O)C(C)CC(=O)OC 527a_100015525214_100000037256 [1,1,0,0,0,0|1,0,0]=3 1458 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100000736553_100000210414 [1,1,0,0,0,0|2,0,0]=4 1459 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100015525214_100000194823 [1,1,0,0,0,0|2,0,0]=4 1460 B11R0.43 CCNC(=O)C(C)NC(=O)CC 1626a_100000736553_100000210414 [1,1,0,0,0,0|2,0,0]=4 1461 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100000736553_100000210414 [1,1,0,0,0,0|2,0,0]=4 1462 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100015525214_100000194823 [1,1,0,0,0,0|2,0,0]=4 1463 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100000736553_100000210414 [1,1,0,0,0,0|2,0,0]=4 1464 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100015525214_100000194823 [1,1,0,0,0,0|2,0,0]=4 1465 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [1,1,0,0,0,0|1,0,0]=3 1466 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CO 188690a_100016988386_100000210174 [1,1,0,0,0,0|2,0,0]=4 1467 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 11a_100103168634_100000210414 [1,1,0,0,0,0|1,1,0]=4 1468 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 1626a_100103168634_100000210414 [1,1,0,0,0,0|1,1,0]=4 1469 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 240690a_100103168634_100000210414 [1,1,0,0,0,0|1,1,0]=4 1470 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 527a_100103168634_100000210414 [1,1,0,0,0,0|1,1,0]=4 1471 B11R0.43 CNNC(=O)C(C)CC(=O)OC 22a_100016993582_100000037256 [1,1,0,0,0,0|2,0,0]=4 1472 B11R0.43 COC(=O)CC(C)C(=O)CCF 1458a_100000037256_100011217306 [1,1,0,0,0,0|2,0,0]=4 1473 B11R0.43 COC(=O)CC(C)C(=O)CCO 1458a_100000037256_100000211926 [1,1,0,0,0,0|2,0,0]=4 1474 B11R0.70 C#CCCC(=O)CCC(=O)OC 1458a_100000187943_100000753159 [1,1,0,0,0,0|1,0,1]=4 1475 B11R0.70 C#CCNC(=O)CCC(=O)OC 11a_100000212058_100000187943 [1,1,0,0,0,0|1,0,1]=4 1476 B11R0.70 C#CCNC(=O)CCC(=O)OC 1626a_100000212058_100000187943 [1,1,0,0,0,0|1,0,1]=4 1477 B11R0.70 C#CCNC(=O)CCC(=O)OC 240690a_100000212058_100000187943 [1,1,0,0,0,0|1,0,1]=4 1478 B11R0.70 C#CCNC(=O)CCC(=O)OC 527a_100000212058_100000187943 [1,1,0,0,0,0|1,0,1]=4 1479 B11R0.70 C/C=C/CC(=O)CCC(=O)OC 1458a_100000187943_100102629194 [1,1,0,0,0,0|1,0,1]=4 1480 B11R0.70 C=CCCC(=O)CCC(=O)OC 1458a_100000187943_100000754431 [1,1,0,0,0,0|1,0,1]=4 1481 B11R0.70 C=CCNC(=O)CCC(=O)OC 1626a_100020586998_100000187943 [1,1,0,0,0,0|1,0,1]=4 1482 B11R0.70 C=CCNC(=O)CCC(=O)OC 240690a_100020586998_100000187943 [1,1,0,0,0,0|1,0,1]=4 1483 B11R0.70 C=CCNC(=O)CCC(=O)OC 527a_100020586998_100000187943 [1,1,0,0,0,0|1,0,1]=4 1484 B11R0.70 C=CCOC(=O)NCC(=O)CC 1458a_100000216761_100000210202 [1,1,0,0,0,0|1,0,1]=4 1485 B11R0.70 CC#CCC(=O)CCC(=O)OC 1458a_100000187943_100000748600 [1,1,0,0,0,0|1,0,1]=4 1486 B11R0.70 CC=CCC(=O)CCC(=O)OC 1458a_100000187943_100000070051 [1,1,0,0,0,0|1,0,1]=4 1487 B11R0.70 CCC(=O)NCC(=O)CCCF 1458a_100000194589_100011934791 [1,1,0,0,0,0|2,0,0]=4 1488 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [1,1,0,0,0,0|2,0,0]=4 1489 B11R0.70 CCC(=O)NCC(=O)CCOC 1458a_100000194589_100000233755 [1,1,0,0,0,0|2,0,0]=4 1490 B11R0.70 CCC(=O)NCC(=O)CCSC 1458a_100000194589_100000751147 [1,1,0,0,0,0|2,0,0]=4 1491 B11R0.70 CCC(=O)NCC(=O)NCCF 11a_100000724931_100000194589 [1,1,0,0,0,0|2,0,0]=4 1492 B11R0.70 CCC(=O)NCC(=O)NCCF 11a_100000725713_100000210414 [1,1,0,0,0,0|2,0,0]=4 1493 B11R0.70 CCC(=O)NCC(=O)NCCF 1626a_100000724931_100000194589 [1,1,0,0,0,0|2,0,0]=4 1494 B11R0.70 CCC(=O)NCC(=O)NCCF 1626a_100000725713_100000210414 [1,1,0,0,0,0|2,0,0]=4 1495 B11R0.70 CCC(=O)NCC(=O)NCCF 240690a_100000724931_100000194589 [1,1,0,0,0,0|2,0,0]=4 1496 B11R0.70 CCC(=O)NCC(=O)NCCF 240690a_100000725713_100000210414 [1,1,0,0,0,0|2,0,0]=4 1497 B11R0.70 CCC(=O)NCC(=O)NCCF 527a_100000724931_100000194589 [1,1,0,0,0,0|2,0,0]=4 1498 B11R0.70 CCC(=O)NCC(=O)NCCF 527a_100000725713_100000210414 [1,1,0,0,0,0|2,0,0]=4 1499 B11R0.70 CCC(=O)NCC(=O)NCCO 240690a_100000210304_100000194589 [1,1,0,0,0,0|2,0,0]=4 1500 B11R0.70 CCC(=O)NCC(=O)NCCO 527a_100000210304_100000194589 [1,1,0,0,0,0|2,0,0]=4 1501 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [1,1,0,0,0,0|2,0,0]=4 1502 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [1,1,0,0,0,0|1,0,0]=3 1503 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [1,1,0,0,0,0|2,0,0]=4 1504 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [1,1,0,0,0,0|2,0,0]=4 1505 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [1,1,0,0,0,0|2,0,0]=4 1506 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [1,1,0,0,0,0|2,0,0]=4 1507 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [1,1,0,0,0,0|1,0,0]=3 1508 B11R0.70 CCCNC(=O)CCC(=O)CF 1458a_100000199543_100015361967 [1,1,0,0,0,0|2,0,0]=4 1509 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [1,1,0,0,0,0|2,0,0]=4 1510 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [1,1,0,0,0,0|2,0,0]=4 1511 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [1,1,0,0,0,0|2,0,0]=4 1512 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [1,1,0,0,0,0|2,0,0]=4 1513 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [1,1,0,0,0,0|2,0,0]=4 1514 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [1,1,0,0,0,0|2,0,0]=4 1515 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [1,1,0,0,0,0|2,0,0]=4 1516 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [1,1,0,0,0,0|2,0,0]=4 1517 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 1518 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 1519 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 1520 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 1521 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 1522 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 1523 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 1524 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 1525 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 1526 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 1527 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 1528 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 1529 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 1530 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 1531 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 1532 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 1533 B11R0.70 CCCNC(=O)CNC(=O)OC 11a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 1534 B11R0.70 CCCNC(=O)CNC(=O)OC 1626a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 1535 B11R0.70 CCCNC(=O)CNC(=O)OC 240690a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 1536 B11R0.70 CCCNC(=O)CNC(=O)OC 527a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 1537 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [1,1,0,0,0,0|1,0,0]=3 1538 B11R0.70 CCCOC(=O)OCC(=O)CO 1458a_100000210174_200000139673 [1,1,0,0,0,0|2,0,0]=4 1539 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [1,1,0,0,0,0|1,0,0]=3 1540 B11R0.70 CCNCC(=O)NCC(=O)OC 2230a_100015525214_100000182966 [1,1,0,0,0,0|2,0,0]=4 1541 B11R0.70 CCNN=C(C)CCC(=O)OC 4a_100000756455_100000756497 [1,1,0,0,0,0|2,0,0]=4 1542 B11R0.70 CCNNC(=O)CCC(=O)NC 22a_100000756455_100011309844 [1,1,0,0,0,0|2,0,0]=4 1543 B11R0.70 CCNNC(=O)CNC(=O)CC 22a_100000756455_100000194589 [1,1,0,0,0,0|2,0,0]=4 1544 B11R0.70 CCNNC(=O)CNC(=O)OC 22a_100000756455_100000215747 [1,1,0,0,0,0|2,0,0]=4 1545 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [1,1,0,0,0,0|0,0,0]=2 1546 B11R0.70 CCOCC(=O)NCC(=O)NC 11a_100000693194_100000211967 [1,1,0,0,0,0|2,0,0]=4 1547 B11R0.70 CCOCC(=O)NCC(=O)NC 240690a_100000693194_100000211967 [1,1,0,0,0,0|2,0,0]=4 1548 B11R0.70 CCOCC(=O)NCC(=O)NC 527a_100000693194_100000211967 [1,1,0,0,0,0|2,0,0]=4 1549 B11R0.70 CCOCC(=O)NCC(=O)OC 188690a_100000185156_100000211967 [1,1,0,0,0,0|1,0,0]=3 1550 B11R0.70 CCOCC(=O)NCC(=O)OC 34a_100121572206_100000182966 [1,1,0,0,0,0|1,0,0]=3 1551 B11R0.70 CCOCC(=O)NNC(=O)CC 22a_100000183195_100000211967 [1,1,0,0,0,0|2,0,0]=4 1552 B11R0.70 CCOCC(=O)NNC(=O)CC 22a_100000216846_100000210414 [1,1,0,0,0,0|2,0,0]=4 1553 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [1,1,0,0,0,0|2,0,0]=4 1554 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [1,1,0,0,0,0|2,0,0]=4 1555 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [1,1,0,0,0,0|2,0,0]=4 1556 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [1,1,0,0,0,0|2,0,0]=4 1557 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [1,1,0,0,0,0|2,0,0]=4 1558 B11R0.70 CCS(=O)CCC(=O)NCCF 11a_100000724931_100011387550 [1,1,0,0,0,0|2,0,0]=4 1559 B11R0.70 CCS(=O)CCC(=O)NCCF 1626a_100000724931_100011387550 [1,1,0,0,0,0|2,0,0]=4 1560 B11R0.70 CCS(=O)CCC(=O)NCCF 240690a_100000724931_100011387550 [1,1,0,0,0,0|2,0,0]=4 1561 B11R0.70 CCS(=O)CCC(=O)NCCF 527a_100000724931_100011387550 [1,1,0,0,0,0|2,0,0]=4 1562 B11R0.70 CCS(=O)CCC(=O)NCCO 240690a_100000210304_100011387550 [1,1,0,0,0,0|2,0,0]=4 1563 B11R0.70 CCS(=O)CCC(=O)NCCO 527a_100000210304_100011387550 [1,1,0,0,0,0|2,0,0]=4 1564 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [1,1,0,0,0,0|0,1,0]=3 1565 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [1,1,0,0,0,0|0,1,0]=3 1566 B11R0.70 CCSCC(=O)NCC(=O)OC 188690a_100000185156_100000230394 [1,1,0,0,0,0|1,1,0]=4 1567 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000182966_100000210202 [1,1,0,0,0,0|1,1,0]=4 1568 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000210202_100000182966 [1,1,0,0,0,0|1,1,0]=4 1569 B11R0.70 CNC(=O)CCC(=O)CCCF 1458a_100011309844_100011934791 [1,1,0,0,0,0|2,0,0]=4 1570 B11R0.70 CNC(=O)CCC(=O)CCCO 1458a_100011309844_100011215043 [1,1,0,0,0,0|2,0,0]=4 1571 B11R0.70 CNC(=O)CCC(=O)CCOC 1458a_100011309844_100000233755 [1,1,0,0,0,0|2,0,0]=4 1572 B11R0.70 CNC(=O)CCC(=O)CCSC 1458a_100011309844_100000751147 [1,1,0,0,0,0|2,0,0]=4 1573 B11R0.70 CNC(=O)CCC(=O)NCCF 11a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 1574 B11R0.70 CNC(=O)CCC(=O)NCCF 1626a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 1575 B11R0.70 CNC(=O)CCC(=O)NCCF 240690a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 1576 B11R0.70 CNC(=O)CCC(=O)NCCF 527a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 1577 B11R0.70 CNC(=O)CCC(=O)NCCO 240690a_100000210304_100011309844 [1,1,0,0,0,0|2,0,0]=4 1578 B11R0.70 CNC(=O)CCC(=O)NCCO 527a_100000210304_100011309844 [1,1,0,0,0,0|2,0,0]=4 1579 B11R0.70 COC(=O)CCC(=O)CCC#N 1458a_100000187943_100011215226 [1,1,0,0,0,0|1,0,1]=4 1580 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [1,1,0,0,0,0|1,0,0]=3 1581 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [1,1,0,0,0,0|1,0,0]=3 1582 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [1,1,0,0,0,0|1,0,0]=3 1583 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100000691467_100015361967 [1,1,0,0,0,0|1,1,0]=4 1584 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100015361967_100000691467 [1,1,0,0,0,0|1,1,0]=4 1585 B11R0.70 COC(=O)CCC(=O)NCC#N 1626a_100000734998_100000187943 [1,1,0,0,0,0|1,0,1]=4 1586 B11R0.70 COC(=O)CCC(=O)NCC#N 527a_100000734998_100000187943 [1,1,0,0,0,0|1,0,1]=4 1587 B11R0.70 COC(=O)CCC(=O)NCCF 11a_100000724931_100000187943 [1,1,0,0,0,0|1,0,0]=3 1588 B11R0.70 COC(=O)CCC(=O)NCCF 1626a_100000724931_100000187943 [1,1,0,0,0,0|1,0,0]=3 1589 B11R0.70 COC(=O)CCC(=O)NCCF 240690a_100000724931_100000187943 [1,1,0,0,0,0|1,0,0]=3 1590 B11R0.70 COC(=O)CCC(=O)NCCF 527a_100000724931_100000187943 [1,1,0,0,0,0|1,0,0]=3 1591 B11R0.70 COC(=O)CCC(=O)NCCO 240690a_100000210304_100000187943 [1,1,0,0,0,0|1,0,0]=3 1592 B11R0.70 COC(=O)CCC(=O)NCCO 527a_100000210304_100000187943 [1,1,0,0,0,0|1,0,0]=3 1593 B11R0.70 COC(=O)CNC(=O)CCSC 188690a_100000185156_100000174002 [1,1,0,0,0,0|2,0,0]=4 1594 B11R0.70 COC(=O)NCC(=O)CCCF 1458a_100000215747_100011934791 [1,1,0,0,0,0|2,0,0]=4 1595 B11R0.70 COC(=O)NCC(=O)CCCO 1458a_100000215747_100011215043 [1,1,0,0,0,0|2,0,0]=4 1596 B11R0.70 COC(=O)NCC(=O)CCSC 1458a_100000215747_100000751147 [1,1,0,0,0,0|2,0,0]=4 1597 B11R0.70 COC(=O)NCC(=O)NCCF 11a_100000724931_100000215747 [1,1,0,0,0,0|2,0,0]=4 1598 B11R0.70 COC(=O)NCC(=O)NCCF 1626a_100000724931_100000215747 [1,1,0,0,0,0|2,0,0]=4 1599 B11R0.70 COC(=O)NCC(=O)NCCF 240690a_100000724931_100000215747 [1,1,0,0,0,0|2,0,0]=4 1600 B11R0.70 COC(=O)NCC(=O)NCCF 527a_100000724931_100000215747 [1,1,0,0,0,0|2,0,0]=4 1601 B11R0.70 COC(=O)NCC(=O)NCCO 240690a_100000210304_100000215747 [1,1,0,0,0,0|2,0,0]=4 1602 B11R0.70 COC(=O)NCC(=O)NCCO 527a_100000210304_100000215747 [1,1,0,0,0,0|2,0,0]=4 1603 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [1,1,0,0,0,0|1,0,0]=3 1604 B11R0.70 COCCC(=O)CNC(=O)OC 1458a_100000215747_100000233755 [1,1,0,0,0,0|2,0,0]=4 1605 B11R0.70 COCCC(=O)NCC(=O)OC 188690a_100000185156_100000749529 [1,1,0,0,0,0|2,0,0]=4 1606 B11R0.100 CCNS(=O)(=O)CCC(=O)OC 270084a_100015525214_100000205946 [1,1,0,0,0,0|2,0,0]=4 1607 B11R0.100 CCNS(=O)(=O)CCC(=O)OC 274078a_100015525214_100000205946 [1,1,0,0,0,0|2,0,0]=4 1608 B11R0.107 C#CC(=O)CCC(=O)OC(C)C 1458a_100000211873_100000760027 [1,1,0,0,0,0|0,0,2]=4 1609 B11R0.107 C=C(C)CC(=O)CCC(=O)OC 1458a_100000187943_100000748629 [1,1,0,0,0,0|1,0,1]=4 1610 B11R0.107 C=CC(=O)CCC(=O)OC(C)C 1458a_100000185746_100000760027 [1,1,0,0,0,0|0,0,2]=4 1611 B11R0.107 CC(C)NC(=O)CCC(=O)CO 1458a_100000210174_100000737564 [1,1,0,0,0,0|2,0,0]=4 1612 B11R0.107 CC(C)OC(=O)CCC(=O)CO 1458a_100000210174_100000760027 [1,1,0,0,0,0|1,0,0]=3 1613 B11R0.107 CC(C)OC(=O)OCC(=O)CO 1458a_100000210174_100000003507 [1,1,0,0,0,0|2,0,0]=4 1614 B11R0.107 CCC(=O)CCC(=O)NC(C)C 1458a_100000210414_100000737564 [1,1,0,0,0,0|1,0,0]=3 1615 B11R0.107 CCC(=O)CCC(=O)NN(C)C 1458a_100011219620_100000210202 [1,1,0,0,0,0|2,0,0]=4 1616 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [1,1,0,0,0,0|0,0,0]=2 1617 B11R0.107 CCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210202 [1,1,0,0,0,0|2,0,0]=4 1618 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [1,1,0,0,0,0|1,0,0]=3 1619 B11R0.107 CCC(=O)NCC(=O)CC(C)C 1458a_100000194589_100000210624 [1,1,0,0,0,0|2,0,0]=4 1620 B11R0.107 CCC(=O)NCC(=O)CC(C)O 1458a_100000194589_100011218427 [1,1,0,0,0,0|2,0,0]=4 1621 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000210414 [1,1,0,0,0,0|2,0,0]=4 1622 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194589 [1,1,0,0,0,0|2,0,0]=4 1623 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000210414 [1,1,0,0,0,0|2,0,0]=4 1624 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194589 [1,1,0,0,0,0|2,0,0]=4 1625 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000210414 [1,1,0,0,0,0|2,0,0]=4 1626 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194589 [1,1,0,0,0,0|2,0,0]=4 1627 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000210414 [1,1,0,0,0,0|2,0,0]=4 1628 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194589 [1,1,0,0,0,0|2,0,0]=4 1629 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [1,1,0,0,0,0|2,0,0]=4 1630 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [1,1,0,0,0,0|2,0,0]=4 1631 B11R0.107 CCS(=O)CCC(=O)CC(C)C 1458a_100011387550_100000210624 [1,1,0,0,0,0|2,0,0]=4 1632 B11R0.107 CCS(=O)CCC(=O)CC(C)O 1458a_100011387550_100011218427 [1,1,0,0,0,0|2,0,0]=4 1633 B11R0.107 CCS(=O)CCC(=O)NC(C)C 11a_100138425928_100011387550 [1,1,0,0,0,0|2,0,0]=4 1634 B11R0.107 CCS(=O)CCC(=O)NC(C)C 1626a_100138425928_100011387550 [1,1,0,0,0,0|2,0,0]=4 1635 B11R0.107 CCS(=O)CCC(=O)NC(C)C 240690a_100138425928_100011387550 [1,1,0,0,0,0|2,0,0]=4 1636 B11R0.107 CCS(=O)CCC(=O)NC(C)C 527a_100138425928_100011387550 [1,1,0,0,0,0|2,0,0]=4 1637 B11R0.107 CNC(=O)CCC(=O)CC(C)C 1458a_100011309844_100000210624 [1,1,0,0,0,0|2,0,0]=4 1638 B11R0.107 CNC(=O)CCC(=O)CC(C)O 1458a_100011309844_100011218427 [1,1,0,0,0,0|2,0,0]=4 1639 B11R0.107 CNC(=O)CCC(=O)NC(C)C 11a_100138425928_100011309844 [1,1,0,0,0,0|2,0,0]=4 1640 B11R0.107 CNC(=O)CCC(=O)NC(C)C 1626a_100138425928_100011309844 [1,1,0,0,0,0|2,0,0]=4 1641 B11R0.107 CNC(=O)CCC(=O)NC(C)C 240690a_100138425928_100011309844 [1,1,0,0,0,0|2,0,0]=4 1642 B11R0.107 CNC(=O)CCC(=O)NC(C)C 527a_100138425928_100011309844 [1,1,0,0,0,0|2,0,0]=4 1643 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [1,1,0,0,0,0|1,0,1]=4 1644 B11R0.107 COC(=O)CCC(=O)CC(C)C 1458a_100000187943_100000210624 [1,1,0,0,0,0|1,0,0]=3 1645 B11R0.107 COC(=O)CCC(=O)CC(C)O 1458a_100000187943_100011218427 [1,1,0,0,0,0|1,0,0]=3 1646 B11R0.107 COC(=O)CCC(=O)CC(F)F 1458a_100000187943_100011934356 [1,1,0,0,0,0|2,0,0]=4 1647 B11R0.107 COC(=O)CCC(=O)CN(C)C 2230a_100102631434_100000691467 [1,1,0,0,0,0|2,0,0]=4 1648 B11R0.107 COC(=O)CCC(=O)CN(C)C 269982a_100102631434_100000691467 [1,1,0,0,0,0|2,0,0]=4 1649 B11R0.107 COC(=O)CCC(=O)NC(C)C 11a_100138425928_100000187943 [1,1,0,0,0,0|1,0,0]=3 1650 B11R0.107 COC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000187943 [1,1,0,0,0,0|1,0,0]=3 1651 B11R0.107 COC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000187943 [1,1,0,0,0,0|1,0,0]=3 1652 B11R0.107 COC(=O)CCC(=O)NC(C)C 527a_100138425928_100000187943 [1,1,0,0,0,0|1,0,0]=3 1653 B11R0.107 COC(=O)CNC(=O)CC(C)C 188690a_100000185156_100000210554 [1,1,0,0,0,0|2,0,0]=4 1654 B11R0.107 COC(=O)CNC(=O)C[C@@H](C)O 188690a_100000185156_100011933948 [1,1,0,0,0,0|2,0,0]=4 1655 B11R0.107 COC(=O)NCC(=O)CC(C)C 1458a_100000215747_100000210624 [1,1,0,0,0,0|2,0,0]=4 1656 B11R0.107 COC(=O)NCC(=O)CC(C)O 1458a_100000215747_100011218427 [1,1,0,0,0,0|2,0,0]=4 1657 B11R0.107 COC(=O)NCC(=O)NC(C)C 11a_100138425928_100000215747 [1,1,0,0,0,0|2,0,0]=4 1658 B11R0.107 COC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000215747 [1,1,0,0,0,0|2,0,0]=4 1659 B11R0.107 COC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000215747 [1,1,0,0,0,0|2,0,0]=4 1660 B11R0.107 COC(=O)NCC(=O)NC(C)C 527a_100138425928_100000215747 [1,1,0,0,0,0|2,0,0]=4 1661 B11R0.120 CCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210202 [1,1,0,0,0,0|2,0,0]=4 1662 B11R0.120 CCC(=O)NCC(=O)C(C)CC 1458a_100000194589_100000758301 [1,1,0,0,0,0|2,0,0]=4 1663 B11R0.120 CCC(=O)NCC(=O)N(C)CC 11a_100000225621_100000194589 [1,1,0,0,0,0|2,0,0]=4 1664 B11R0.120 CCC(=O)NCC(=O)N(C)CC 1626a_100000225621_100000194589 [1,1,0,0,0,0|2,0,0]=4 1665 B11R0.120 CCC(=O)NCC(=O)N(C)CC 240690a_100000225621_100000194589 [1,1,0,0,0,0|2,0,0]=4 1666 B11R0.120 CCC(=O)NCC(=O)N(C)CC 527a_100000225621_100000194589 [1,1,0,0,0,0|2,0,0]=4 1667 B11R0.120 CCC(C)C(=O)CCC(=O)NC 1458a_100011309844_100000758301 [1,1,0,0,0,0|2,0,0]=4 1668 B11R0.120 CCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000758301 [1,1,0,0,0,0|1,0,0]=3 1669 B11R0.120 CCC(C)C(=O)CCS(=O)CC 1458a_100011387550_100000758301 [1,1,0,0,0,0|2,0,0]=4 1670 B11R0.120 CCC(C)C(=O)CNC(=O)OC 1458a_100000215747_100000758301 [1,1,0,0,0,0|2,0,0]=4 1671 B11R0.120 CCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100011192722 [1,1,0,0,0,0|2,0,0]=4 1672 B11R0.120 CCC(O)C(=O)NCC(=O)OC 188690a_100000185156_100011196387 [1,1,0,0,0,0|2,0,0]=4 1673 B11R0.120 CCN(C)C(=O)CCC(=O)NC 11a_100000225621_100011309844 [1,1,0,0,0,0|2,0,0]=4 1674 B11R0.120 CCN(C)C(=O)CCC(=O)NC 1626a_100000225621_100011309844 [1,1,0,0,0,0|2,0,0]=4 1675 B11R0.120 CCN(C)C(=O)CCC(=O)NC 240690a_100000225621_100011309844 [1,1,0,0,0,0|2,0,0]=4 1676 B11R0.120 CCN(C)C(=O)CCC(=O)NC 527a_100000225621_100011309844 [1,1,0,0,0,0|2,0,0]=4 1677 B11R0.120 CCN(C)C(=O)CCC(=O)OC 11a_100000225621_100000187943 [1,1,0,0,0,0|1,0,0]=3 1678 B11R0.120 CCN(C)C(=O)CCC(=O)OC 1626a_100000225621_100000187943 [1,1,0,0,0,0|1,0,0]=3 1679 B11R0.120 CCN(C)C(=O)CCC(=O)OC 240690a_100000225621_100000187943 [1,1,0,0,0,0|1,0,0]=3 1680 B11R0.120 CCN(C)C(=O)CCC(=O)OC 527a_100000225621_100000187943 [1,1,0,0,0,0|1,0,0]=3 1681 B11R0.120 CCN(C)C(=O)CCS(=O)CC 11a_100000225621_100011387550 [1,1,0,0,0,0|2,0,0]=4 1682 B11R0.120 CCN(C)C(=O)CCS(=O)CC 1626a_100000225621_100011387550 [1,1,0,0,0,0|2,0,0]=4 1683 B11R0.120 CCN(C)C(=O)CCS(=O)CC 240690a_100000225621_100011387550 [1,1,0,0,0,0|2,0,0]=4 1684 B11R0.120 CCN(C)C(=O)CCS(=O)CC 527a_100000225621_100011387550 [1,1,0,0,0,0|2,0,0]=4 1685 B11R0.120 CCN(C)C(=O)CNC(=O)OC 11a_100000225621_100000215747 [1,1,0,0,0,0|2,0,0]=4 1686 B11R0.120 CCN(C)C(=O)CNC(=O)OC 1626a_100000225621_100000215747 [1,1,0,0,0,0|2,0,0]=4 1687 B11R0.120 CCN(C)C(=O)CNC(=O)OC 240690a_100000225621_100000215747 [1,1,0,0,0,0|2,0,0]=4 1688 B11R0.120 CCN(C)C(=O)CNC(=O)OC 527a_100000225621_100000215747 [1,1,0,0,0,0|2,0,0]=4 1689 B11R0.141 C=C(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000185857 [1,1,0,0,0,0|1,0,1]=4 1690 B11R0.141 CCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210303 [1,1,0,0,0,0|2,0,0]=4 1691 B11R0.141 CCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210303 [1,1,0,0,0,0|2,0,0]=4 1692 B11R0.141 CCCC(=O)COC(=O)C(C)C 1458a_100000211992_100000139345 [1,1,0,0,0,0|2,0,0]=4 1693 B11R0.141 CCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100000034017 [1,1,0,0,0,0|2,0,0]=4 1694 B11R0.141 CCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100000034017 [1,1,0,0,0,0|2,0,0]=4 1695 B11R0.141 CCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000034017 [1,1,0,0,0,0|2,0,0]=4 1696 B11R0.141 CCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000034017 [1,1,0,0,0,0|2,0,0]=4 1697 B11R0.141 CCNC(=O)CCC(=O)C(C)C 1458a_100000199579_100000210206 [1,1,0,0,0,0|1,0,0]=3 1698 B11R0.141 CCNC(=O)CCC(=O)N(C)C 11a_100015525214_100011200748 [1,1,0,0,0,0|2,0,0]=4 1699 B11R0.141 CCNC(=O)CCC(=O)N(C)C 11a_100102631434_100000199579 [1,1,0,0,0,0|2,0,0]=4 1700 B11R0.141 CCNC(=O)CCC(=O)N(C)C 1626a_100102631434_100000199579 [1,1,0,0,0,0|2,0,0]=4 1701 B11R0.141 CCNC(=O)CCC(=O)N(C)C 240690a_100015525214_100011200748 [1,1,0,0,0,0|2,0,0]=4 1702 B11R0.141 CCNC(=O)CCC(=O)N(C)C 240690a_100102631434_100000199579 [1,1,0,0,0,0|2,0,0]=4 1703 B11R0.141 CCNC(=O)CCC(=O)N(C)C 527a_100015525214_100011200748 [1,1,0,0,0,0|2,0,0]=4 1704 B11R0.141 CCNC(=O)CNC(=O)C(C)C 11a_100015525214_100000194582 [1,1,0,0,0,0|2,0,0]=4 1705 B11R0.141 CCNC(=O)CNC(=O)C(C)C 11a_100016988866_100000210198 [1,1,0,0,0,0|2,0,0]=4 1706 B11R0.141 CCNC(=O)CNC(=O)C(C)C 1626a_100016988866_100000210198 [1,1,0,0,0,0|2,0,0]=4 1707 B11R0.141 CCNC(=O)CNC(=O)C(C)C 240690a_100015525214_100000194582 [1,1,0,0,0,0|2,0,0]=4 1708 B11R0.141 CCNC(=O)CNC(=O)C(C)C 240690a_100016988866_100000210198 [1,1,0,0,0,0|2,0,0]=4 1709 B11R0.141 CCNC(=O)CNC(=O)C(C)C 527a_100015525214_100000194582 [1,1,0,0,0,0|2,0,0]=4 1710 B11R0.141 CCNC(=O)CNC(=O)C(C)C 527a_100016988866_100000210198 [1,1,0,0,0,0|2,0,0]=4 1711 B11R0.141 CCNC(=O)CNC(=O)C(C)F 11a_100016988866_100000062450 [1,1,0,0,0,0|2,0,0]=4 1712 B11R0.141 CCNC(=O)CNC(=O)C(C)F 1626a_100016988866_100000062450 [1,1,0,0,0,0|2,0,0]=4 1713 B11R0.141 CCNC(=O)CNC(=O)C(C)F 240690a_100016988866_100000062450 [1,1,0,0,0,0|2,0,0]=4 1714 B11R0.141 CCNC(=O)CNC(=O)C(C)F 527a_100016988866_100000062450 [1,1,0,0,0,0|2,0,0]=4 1715 B11R0.141 CCNC(=O)CNC(=O)[C@@H](C)O 240690a_100016988866_100000717761 [1,1,0,0,0,0|2,0,0]=4 1716 B11R0.141 CCNC(=O)CNC(=O)[C@H](C)O 1626a_100016988866_217856618621 [1,1,0,0,0,0|2,0,0]=4 1717 B11R0.141 CCNC(=O)CNC(=O)[C@H](C)O 240690a_100016988866_217856618621 [1,1,0,0,0,0|2,0,0]=4 1718 B11R0.141 CCOC(=O)C=CC(=O)C(C)C 1458a_100000210415_100000210206 [1,1,0,0,0,0|0,0,2]=4 1719 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [1,1,0,0,0,0|0,0,0]=2 1720 B11R0.141 CCOC(=O)CCC(=O)N(C)C 11a_100102631434_100000183558 [1,1,0,0,0,0|1,0,0]=3 1721 B11R0.141 CCOC(=O)CCC(=O)N(C)C 1626a_100102631434_100000183558 [1,1,0,0,0,0|1,0,0]=3 1722 B11R0.141 CCOC(=O)CCC(=O)N(C)C 240690a_100102631434_100000183558 [1,1,0,0,0,0|1,0,0]=3 1723 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [1,1,0,0,0,0|2,0,0]=4 1724 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [1,1,0,0,0,0|2,0,0]=4 1725 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [1,1,0,0,0,0|2,0,0]=4 1726 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [1,1,0,0,0,0|2,0,0]=4 1727 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [1,1,0,0,0,0|2,0,0]=4 1728 B11R0.141 CCOC(=O)CNC(=O)C(C)C 188690a_100000741813_100000210198 [1,1,0,0,0,0|1,0,0]=3 1729 B11R0.141 CCOC(=O)CNC(=O)C(C)F 188690a_100000741813_100000062450 [1,1,0,0,0,0|1,0,0]=3 1730 B11R0.141 CCOC(=O)CNC(=O)C(O)O 188690a_100000741813_100000233687 [1,1,0,0,0,0|2,0,0]=4 1731 B11R0.141 CCOC(=O)CNC(=O)[C@@H](C)O 188690a_100000741813_100000717761 [1,1,0,0,0,0|1,0,0]=3 1732 B11R0.141 CCOC(=O)CNC(=O)[C@H](C)O 188690a_100000741813_217856618621 [1,1,0,0,0,0|1,0,0]=3 1733 B11R0.141 CCOC(=O)NCC(=O)C(C)C 1458a_100000190774_100000210206 [1,1,0,0,0,0|1,0,0]=3 1734 B11R0.141 CCOC(=O)NCC(=O)N(C)C 11a_100102631434_100000190774 [1,1,0,0,0,0|2,0,0]=4 1735 B11R0.141 CCOC(=O)NCC(=O)N(C)C 1626a_100102631434_100000190774 [1,1,0,0,0,0|2,0,0]=4 1736 B11R0.141 CCOC(=O)NCC(=O)N(C)C 240690a_100102631434_100000190774 [1,1,0,0,0,0|2,0,0]=4 1737 B11R0.141 CCOC(=O)NCC(=O)N(C)C 527a_100102631434_100000190774 [1,1,0,0,0,0|2,0,0]=4 1738 B11R0.170 CCCC(=O)CCS(=O)(=O)CC 1458a_100000211992_100000756660 [1,1,0,0,0,0|2,0,0]=4 1739 B11R0.187 C#CC(=O)C(C)CC(=O)OCC 1458a_100000211873_100009817359 [1,1,0,0,0,0|0,0,2]=4 1740 B11R0.187 C=C(CC(=O)OCC)C(=O)NC 1626a_100102657272_200000043866 [1,1,0,0,0,0|1,0,1]=4 1741 B11R0.187 C=CC(=O)C(C)CC(=O)OCC 1458a_100000185746_100009817359 [1,1,0,0,0,0|0,0,2]=4 1742 B11R0.187 CCCC(=O)NC(C)C(=O)CC 1458a_100000205598_100000210202 [1,1,0,0,0,0|2,0,0]=4 1743 B11R0.187 CCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000211992 [1,1,0,0,0,0|2,0,0]=4 1744 B11R0.187 CCNC(=O)CN(C)C(=O)CC 11a_100000741943_100000210414 [1,1,0,0,0,0|2,0,0]=4 1745 B11R0.187 CCNC(=O)CN(C)C(=O)CC 1626a_100000741943_100000210414 [1,1,0,0,0,0|2,0,0]=4 1746 B11R0.187 CCNC(=O)CN(C)C(=O)CC 240690a_100000741943_100000210414 [1,1,0,0,0,0|2,0,0]=4 1747 B11R0.187 CCNC(=O)CN(C)C(=O)CC 527a_100000741943_100000210414 [1,1,0,0,0,0|2,0,0]=4 1748 B11R0.187 CCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000188475 [1,1,0,0,0,0|1,0,1]=4 1749 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [1,1,0,0,0,0|0,0,0]=2 1750 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [1,1,0,0,0,0|1,0,0]=3 1751 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [1,1,0,0,0,0|2,0,0]=4 1752 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [1,1,0,0,0,0|2,0,0]=4 1753 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [1,1,0,0,0,0|1,0,0]=3 1754 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [1,1,0,0,0,0|1,0,0]=3 1755 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [1,1,0,0,0,0|1,0,0]=3 1756 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [1,1,0,0,0,0|1,0,0]=3 1757 B11R0.187 CCOC(=O)CN(C)C(=O)CO 240690a_100000220588_100000210174 [1,1,0,0,0,0|2,0,0]=4 1758 B11R0.187 CCOC(=O)CN(C)C(=O)CO 527a_100000220588_100000210174 [1,1,0,0,0,0|2,0,0]=4 1759 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,1,0,0,1,0|1,0,1]=4 1760 B11R0.1 CC#CC(=O)CC(=O)OC(C)C 1458a_100000763181_100011215430 [0,1,0,0,1,0|1,0,1]=4 1761 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,1,0,0,1,0|2,0,0]=4 1762 B11R0.1 CC=CC(=O)CC(=O)OC(C)C 1458a_100000210699_100011215430 [0,1,0,0,1,0|1,0,1]=4 1763 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,1,0|2,0,0]=4 1764 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,1,0|2,0,0]=4 1765 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,1,0|2,0,0]=4 1766 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,1,0|1,0,0]=3 1767 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,1,0|2,0,0]=4 1768 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,1,0,0,1,0|2,0,0]=4 1769 B11R0.1 CCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000188475 [0,1,0,0,1,0|1,0,1]=4 1770 B11R0.1 CCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000188475 [0,1,0,0,1,0|1,0,1]=4 1771 B11R0.1 CCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000188475 [0,1,0,0,1,0|1,0,1]=4 1772 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,1,0|1,0,0]=3 1773 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,1,0|1,0,0]=3 1774 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,1,0,0,1,0|1,0,0]=3 1775 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,1,0,0,1,0|2,0,0]=4 1776 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,1,0,0,1,0|2,0,0]=4 1777 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,1,0,0,1,0|2,0,0]=4 1778 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,1,0,0,1,0|1,0,0]=3 1779 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,1,0,0,1,0|2,0,0]=4 1780 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,1,0,0,1,0|1,0,0]=3 1781 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,1,0,0,1,0|1,0,1]=4 1782 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,1,0,0,1,0|2,0,0]=4 1783 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,1,0,0,1,0|2,0,0]=4 1784 B11R0.177 CC#CC(=O)C(C)C(=O)OCC 1458a_100000763181_100011216346 [0,1,0,0,1,0|1,0,1]=4 1785 B11R0.177 CC#CC(=O)C(F)C(=O)OCC 1458a_100000763181_100000760018 [0,1,0,0,1,0|1,0,1]=4 1786 B11R0.177 CC=CC(=O)C(C)C(=O)OCC 1458a_100000210699_100011216346 [0,1,0,0,1,0|1,0,1]=4 1787 B11R0.177 CC=CC(=O)C(F)C(=O)OCC 1458a_100000210699_100000760018 [0,1,0,0,1,0|1,0,1]=4 1788 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,1,0,0,1,0|2,0,0]=4 1789 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,1,0,0,1,0|1,0,0]=3 1790 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,1,0,0,1,0|1,0,0]=3 1791 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,1,0,0,1,0|1,0,0]=3 1792 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,1,0,0,1,0|1,0,0]=3 1793 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,1,0,0,1,0|1,0,0]=3 1794 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,1,0,0,1,0|1,0,0]=3 1795 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,1,0,0,1,0|2,0,0]=4 1796 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,1,0,0,1,0|2,0,0]=4 1797 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,1,0,0,1,0|2,0,0]=4 1798 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,1,0,0,1,0|2,0,0]=4 1799 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,1,0,0,1,0|2,0,0]=4 1800 B11R0.177 CCOC(=O)C(C)C(=O)NNC 22a_100016993582_100132301724 [0,1,0,0,1,0|2,0,0]=4 1801 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,1,0,0,1,0|2,0,0]=4 1802 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,1,0,0,1,0|2,0,0]=4 1803 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,1,0,0,1,0|2,0,0]=4 1804 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,1,0,0,1,0|1,0,1]=4 1805 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 270084a_100015525214_100000738689 [0,1,0,0,1,0|2,0,0]=4 1806 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 274078a_100015525214_100000738689 [0,1,0,0,1,0|2,0,0]=4 1807 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,1,0,0,1,0|1,0,1]=4 1808 B13R0.18 C=COC(=O)CSC(C)C(=O)OCC 62a_100000036128_100011216346 [0,1,0,0,0,1|0,0,2]=4 1809 B13R0.18 C=COC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000036128 [0,1,0,0,0,1|0,0,2]=4 1810 B13R0.18 C=COC(=O)CSC(F)C(=O)OCC 62a_100000036128_100000760018 [0,1,0,0,0,1|0,0,2]=4 1811 B13R0.18 C=COC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000036128 [0,1,0,0,0,1|0,0,2]=4 1812 B13R0.18 CC#CC(=O)C(C)CCC(=O)OCC 1458a_100000763181_100000748298 [0,1,0,0,0,1|1,0,1]=4 1813 B13R0.18 CC=CC(=O)C(C)CCC(=O)OCC 1458a_100000210699_100000748298 [0,1,0,0,0,1|1,0,1]=4 1814 B13R0.18 CC=CC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000210699 [0,1,0,0,0,1|1,0,1]=4 1815 B13R0.18 CC=CC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000210699 [0,1,0,0,0,1|1,0,1]=4 1816 B13R0.18 CC=CC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000210699 [0,1,0,0,0,1|1,0,1]=4 1817 B13R0.18 CCCC(=O)C(C)CCC(=O)OCC 1458a_100000211992_100000748298 [0,1,0,0,0,1|1,0,0]=3 1818 B13R0.18 CCCC(=O)CNC(C)C(=O)NCC 2230a_100000736553_100000747444 [0,1,0,0,0,1|2,0,0]=4 1819 B13R0.18 CCCC(=O)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000747444 [0,1,0,0,0,1|1,1,0]=4 1820 B13R0.18 CCCC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000747444 [0,1,0,0,0,1|1,0,0]=3 1821 B13R0.18 CCCC(=O)CSC(C)C(=O)NCC 62a_100000230173_100000747444 [0,1,0,0,0,1|2,0,0]=4 1822 B13R0.18 CCCC(=O)CSC(C)C(=O)NCC 62a_100000747444_100000230173 [0,1,0,0,0,1|2,0,0]=4 1823 B13R0.18 CCCC(=O)CSC(C)C(=O)OCC 62a_100000747444_100011216346 [0,1,0,0,0,1|1,0,0]=3 1824 B13R0.18 CCCC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000747444 [0,1,0,0,0,1|1,0,0]=3 1825 B13R0.18 CCCC(=O)CSC(F)C(=O)OCC 62a_100000747444_100000760018 [0,1,0,0,0,1|1,0,0]=3 1826 B13R0.18 CCCC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000747444 [0,1,0,0,0,1|1,0,0]=3 1827 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000211992 [0,1,0,0,0,1|1,0,0]=3 1828 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000211992 [0,1,0,0,0,1|1,0,0]=3 1829 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000211992 [0,1,0,0,0,1|1,0,0]=3 1830 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000211992 [0,1,0,0,0,1|1,0,0]=3 1831 B13R0.18 CCNC(=O)C(C)NCC(=O)OCC 2230a_100000736553_100000188475 [0,1,0,0,0,1|1,0,0]=3 1832 B13R0.18 CCNC(=O)C(C)NCC(=O)OCC 34a_100000736553_100000188475 [0,1,0,0,0,1|1,0,0]=3 1833 B13R0.18 CCNC(=O)C(C)SCC(=O)OCC 62a_100000188475_100000230173 [0,1,0,0,0,1|1,0,0]=3 1834 B13R0.18 CCNC(=O)C(C)SCC(=O)OCC 62a_100000230173_100000188475 [0,1,0,0,0,1|1,0,0]=3 1835 B13R0.18 CCNC(=O)CNC(=O)C(=O)OCC 11a_100016988866_100014798877 [0,1,0,0,0,1|1,0,1]=4 1836 B13R0.18 CCNC(=O)CNC(=O)C(=O)OCC 1626a_100016988866_100014798877 [0,1,0,0,0,1|1,0,1]=4 1837 B13R0.18 CCNC(=O)CNC(=O)C(=O)OCC 240690a_100016988866_100014798877 [0,1,0,0,0,1|1,0,1]=4 1838 B13R0.18 CCNC(=O)CNC(C)C(=O)NCC 2230a_100000736553_100000183381 [0,1,0,0,0,1|2,0,0]=4 1839 B13R0.18 CCNC(=O)CNC(C)C(=O)NCC 2230a_100016988866_100000230173 [0,1,0,0,0,1|2,0,0]=4 1840 B13R0.18 CCNC(=O)CNC(C)C(=O)NCC 34a_100000736553_100000183381 [0,1,0,0,0,1|2,0,0]=4 1841 B13R0.18 CCNC(=O)CNC(C)C(=O)OCC 2230a_100016988866_100011215307 [0,1,0,0,0,1|1,0,0]=3 1842 B13R0.18 CCNC(=O)CNC(F)C(=O)OCC 2230a_100016988866_100000760018 [0,1,0,0,0,1|1,0,0]=3 1843 B13R0.18 CCNC(=O)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000183381 [0,1,0,0,0,1|1,1,0]=4 1844 B13R0.18 CCNC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000183381 [0,1,0,0,0,1|1,0,0]=3 1845 B13R0.18 CCNC(=O)CSC(C)C(=O)NCC 62a_100000183381_100000230173 [0,1,0,0,0,1|2,0,0]=4 1846 B13R0.18 CCNC(=O)CSC(C)C(=O)NCC 62a_100000230173_100000183381 [0,1,0,0,0,1|2,0,0]=4 1847 B13R0.18 CCNC(=O)CSC(C)C(=O)OCC 62a_100000183381_100011216346 [0,1,0,0,0,1|1,0,0]=3 1848 B13R0.18 CCNC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000183381 [0,1,0,0,0,1|1,0,0]=3 1849 B13R0.18 CCNC(=O)CSC(F)C(=O)OCC 62a_100000183381_100000760018 [0,1,0,0,0,1|1,0,0]=3 1850 B13R0.18 CCNC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000183381 [0,1,0,0,0,1|1,0,0]=3 1851 B13R0.18 CCOC(=O)C(C)SCC(=O)NCO 62a_100000185155_100011216346 [0,1,0,0,0,1|2,0,0]=4 1852 B13R0.18 CCOC(=O)C(C)SCC(=O)NCO 62a_100011216346_100000185155 [0,1,0,0,0,1|2,0,0]=4 1853 B13R0.18 CCOC(=O)C(F)SCC(=O)NCO 62a_100000185155_100000760018 [0,1,0,0,0,1|2,0,0]=4 1854 B13R0.18 CCOC(=O)C(F)SCC(=O)NCO 62a_100000760018_100000185155 [0,1,0,0,0,1|2,0,0]=4 1855 B13R0.18 CCOC(=O)CCC(C)C(=O)CCO 1458a_100011216618_100000748298 [0,1,0,0,0,1|2,0,0]=4 1856 B13R0.18 CCOC(=O)CCC(C)C(=O)COC 1458a_100000210968_100000748298 [0,1,0,0,0,1|2,0,0]=4 1857 B13R0.18 CCOC(=O)CCC(C)C(=O)CSC 1458a_100000184570_100000748298 [0,1,0,0,0,1|2,0,0]=4 1858 B13R0.18 CCOC(=O)CCN(C)C(=O)CCO 240690a_100000745921_100011216618 [0,1,0,0,0,1|2,0,0]=4 1859 B13R0.18 CCOC(=O)CCN(C)C(=O)COC 11a_100000745921_100000210968 [0,1,0,0,0,1|2,0,0]=4 1860 B13R0.18 CCOC(=O)CCN(C)C(=O)COC 1626a_100000745921_100000210968 [0,1,0,0,0,1|2,0,0]=4 1861 B13R0.18 CCOC(=O)CCN(C)C(=O)COC 240690a_100000745921_100000210968 [0,1,0,0,0,1|2,0,0]=4 1862 B13R0.18 CCOC(=O)CCN(C)C(=O)COC 527a_100000745921_100000210968 [0,1,0,0,0,1|2,0,0]=4 1863 B13R0.18 CCOC(=O)CCN(C)C(=O)CSC 11a_100000745921_100000184570 [0,1,0,0,0,1|2,0,0]=4 1864 B13R0.18 CCOC(=O)CCN(C)C(=O)CSC 1626a_100000745921_100000184570 [0,1,0,0,0,1|2,0,0]=4 1865 B13R0.18 CCOC(=O)CCN(C)C(=O)CSC 240690a_100000745921_100000184570 [0,1,0,0,0,1|2,0,0]=4 1866 B13R0.18 CCOC(=O)CCN(C)C(=O)CSC 527a_100000745921_100000184570 [0,1,0,0,0,1|2,0,0]=4 1867 B13R0.18 CCOC(=O)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000188475 [0,1,0,0,0,1|0,1,0]=3 1868 B13R0.18 CCOC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000188475 [0,1,0,0,0,1|0,0,0]=2 1869 B13R0.18 CCOC(=O)CSC(C)C(=O)OCC 62a_100000188475_100011216346 [0,1,0,0,0,1|0,0,0]=2 1870 B13R0.18 CCOC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000188475 [0,1,0,0,0,1|0,0,0]=2 1871 B13R0.18 CCOC(=O)CSC(F)C(=O)OCC 62a_100000188475_100000760018 [0,1,0,0,0,1|0,0,0]=2 1872 B13R0.18 CCOC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000188475 [0,1,0,0,0,1|0,0,0]=2 1873 B13R0.18 CCOC(=O)[C@H](C)OCC(=O)NCO 7a_100000751109_100000185155 [0,1,0,0,0,1|2,0,0]=4 1874 B13R0.23 CCOC(=O)CNCC(CC)OCC 2230a_100015183923_100000188475 [0,1,0,0,0,1|1,0,1]=4 1875 B13R0.23 CCOC(=O)CNCC(CC)OCC 34a_100015183923_100000188475 [0,1,0,0,0,1|1,0,1]=4 1876 B13R0.89 C=C(CCC)CC(=O)CC(=O)OCC 1458a_100000138376_100000188475 [0,1,0,0,0,1|2,0,0]=4 1877 B13R0.89 C=COC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000036128 [0,1,0,0,0,1|0,0,2]=4 1878 B13R0.89 C=COC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000036128 [0,1,0,0,0,1|0,0,2]=4 1879 B13R0.89 CC=CC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000210699 [0,1,0,0,0,1|1,0,1]=4 1880 B13R0.89 CCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000747444 [0,1,0,0,0,1|1,0,0]=3 1881 B13R0.89 CCCC(=O)CC(=O)NC(=O)OCC 1458a_100000211992_100000010344 [0,1,0,0,0,1|1,0,1]=4 1882 B13R0.89 CCCC(=O)CN(C)CC(=O)NCC 2230a_100000741943_100000747444 [0,1,0,0,0,1|2,0,0]=4 1883 B13R0.89 CCCC(=O)CN(C)CC(=O)NCC 269982a_100000741943_100000747444 [0,1,0,0,0,1|2,0,0]=4 1884 B13R0.89 CCCC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000747444 [0,1,0,0,0,1|1,0,0]=3 1885 B13R0.89 CCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000211992 [0,1,0,0,0,1|1,0,0]=3 1886 B13R0.89 CCCS(=O)CC(=O)CC(=O)OCC 1458a_100011387404_100000188475 [0,1,0,0,0,1|2,0,0]=4 1887 B13R0.89 CCNC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000183381 [0,1,0,0,0,1|1,0,0]=3 1888 B13R0.89 CCNC(=O)CN(C)CC(=O)NCC 2230a_100000741943_100000183381 [0,1,0,0,0,1|2,0,0]=4 1889 B13R0.89 CCNC(=O)CN(C)CC(=O)NCC 269982a_100000741943_100000183381 [0,1,0,0,0,1|2,0,0]=4 1890 B13R0.89 CCNC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000183381 [0,1,0,0,0,1|1,0,0]=3 1891 B13R0.89 CCNC(=O)CN(C)CC(=O)OCC 2230a_100000741943_100000188475 [0,1,0,0,0,1|1,0,0]=3 1892 B13R0.89 CCNC(=O)CN(C)CC(=O)OCC 269982a_100000741943_100000188475 [0,1,0,0,0,1|1,0,0]=3 1893 B13R0.89 CCOC(=O)CC(=O)CC(=O)NCO 1458a_100000243816_100000185155 [0,1,0,0,0,1|2,0,0]=4 1894 B13R0.89 CCOC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000188475 [0,1,0,0,0,1|0,0,0]=2 1895 B13R0.89 CCOC(=O)CC(C)NC(=O)COC 188690a_100000686176_100000210968 [0,1,0,0,0,1|2,0,0]=4 1896 B13R0.89 CCOC(=O)CC(C)NC(=O)CSC 188690a_100000686176_100000184570 [0,1,0,0,0,1|2,0,0]=4 1897 B13R0.89 CCOC(=O)CN(C)CC(=O)NCO 2230a_100000220588_100000185155 [0,1,0,0,0,1|2,0,0]=4 1898 B13R0.89 CCOC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000188475 [0,1,0,0,0,1|0,0,0]=2 1899 B13R0.175 C#CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000753159 [0,1,0,0,0,1|1,0,1]=4 1900 B13R0.175 C#CCCC(=O)CCCC(=O)OCC 1458a_100000692101_100011215271 [0,1,0,0,0,1|1,0,1]=4 1901 B13R0.175 C#CCCC(=O)CCNC(=O)OCC 1458a_100000692101_200011445536 [0,1,0,0,0,1|1,0,1]=4 1902 B13R0.175 C#CCNC(=O)CCCC(=O)OCC 11a_100000212058_100000210991 [0,1,0,0,0,1|1,0,1]=4 1903 B13R0.175 C#CCNC(=O)CCCC(=O)OCC 1626a_100000212058_100000210991 [0,1,0,0,0,1|1,0,1]=4 1904 B13R0.175 C#CCNC(=O)CCCC(=O)OCC 240690a_100000212058_100000210991 [0,1,0,0,0,1|1,0,1]=4 1905 B13R0.175 C#CCNC(=O)CCCC(=O)OCC 527a_100000212058_100000210991 [0,1,0,0,0,1|1,0,1]=4 1906 B13R0.175 C#CCNC(=O)CNCC(=O)OCC 2230a_100000747989_100000188475 [0,1,0,0,0,1|1,0,1]=4 1907 B13R0.175 C#CCNC(=O)CNCC(=O)OCC 34a_100000747989_100000188475 [0,1,0,0,0,1|1,0,1]=4 1908 B13R0.175 C/C=C/CC(=O)CCCC(=O)OCC 1458a_100000210991_100102629194 [0,1,0,0,0,1|1,0,1]=4 1909 B13R0.175 C=C(CSCC(=O)CCC)OCOC 62a_100000042856_100000747444 [0,1,0,0,0,1|2,0,0]=4 1910 B13R0.175 C=C(CSCC(=O)CCC)OCOC 62a_100000747444_100000042856 [0,1,0,0,0,1|2,0,0]=4 1911 B13R0.175 C=C(CSCC(=O)NCC)OCOC 62a_100000042856_100000183381 [0,1,0,0,0,1|2,0,0]=4 1912 B13R0.175 C=C(CSCC(=O)NCC)OCOC 62a_100000183381_100000042856 [0,1,0,0,0,1|2,0,0]=4 1913 B13R0.175 C=C(CSCC(=O)OCC)OCOC 62a_100000042856_100000188475 [0,1,0,0,0,1|1,0,0]=3 1914 B13R0.175 C=C(CSCC(=O)OCC)OCOC 62a_100000188475_100000042856 [0,1,0,0,0,1|1,0,0]=3 1915 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000754431 [0,1,0,0,0,1|1,0,1]=4 1916 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000749702_100011215271 [0,1,0,0,0,1|1,0,1]=4 1917 B13R0.175 C=CCCC(=O)CCNC(=O)OCC 1458a_100000749702_200011445536 [0,1,0,0,0,1|1,0,1]=4 1918 B13R0.175 C=CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000749702 [0,1,0,0,0,1|1,0,1]=4 1919 B13R0.175 C=CCNC(=O)CCCC(=O)OCC 1626a_100020586998_100000210991 [0,1,0,0,0,1|1,0,1]=4 1920 B13R0.175 C=CCNC(=O)CCCC(=O)OCC 240690a_100020586998_100000210991 [0,1,0,0,0,1|1,0,1]=4 1921 B13R0.175 C=CCNC(=O)CCCC(=O)OCC 527a_100020586998_100000210991 [0,1,0,0,0,1|1,0,1]=4 1922 B13R0.175 C=CCNC(=O)CSCC(=O)OCC 62a_100000183597_100000188475 [0,1,0,0,0,1|1,0,1]=4 1923 B13R0.175 C=CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183597 [0,1,0,0,0,1|1,0,1]=4 1924 B13R0.175 C=CCOC(=O)CNCC(=O)NCC 2230a_100016988866_100000033060 [0,1,0,0,0,1|1,0,1]=4 1925 B13R0.175 C=CCOC(=O)CSCC(=O)CCC 62a_100000033060_100000747444 [0,1,0,0,0,1|1,0,1]=4 1926 B13R0.175 C=CCOC(=O)CSCC(=O)CCC 62a_100000747444_100000033060 [0,1,0,0,0,1|1,0,1]=4 1927 B13R0.175 C=CCOC(=O)CSCC(=O)NCC 62a_100000033060_100000183381 [0,1,0,0,0,1|1,0,1]=4 1928 B13R0.175 C=CCOC(=O)CSCC(=O)NCC 62a_100000183381_100000033060 [0,1,0,0,0,1|1,0,1]=4 1929 B13R0.175 C=CCOC(=O)CSCC(=O)OCC 62a_100000033060_100000188475 [0,1,0,0,0,1|0,0,1]=3 1930 B13R0.175 C=CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000033060 [0,1,0,0,0,1|0,0,1]=3 1931 B13R0.175 C=COC(=O)CSCC(=O)OCCC 62a_100000036128_200011215008 [0,1,0,0,0,1|0,0,2]=4 1932 B13R0.175 C=COC(=O)CSCC(=O)OCCC 62a_200011215008_100000036128 [0,1,0,0,0,1|0,0,2]=4 1933 B13R0.175 CC#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000748600 [0,1,0,0,0,1|1,0,1]=4 1934 B13R0.175 CC=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000070051 [0,1,0,0,0,1|1,0,1]=4 1935 B13R0.175 CC=CCC(=O)CCCC(=O)OCC 1458a_100121576822_100011215271 [0,1,0,0,0,1|1,0,1]=4 1936 B13R0.175 CC=CCC(=O)CCNC(=O)OCC 1458a_100121576822_200011445536 [0,1,0,0,0,1|1,0,1]=4 1937 B13R0.175 CC=CCC(=O)NCCC(=O)OCC 188690a_100000746078_100121576822 [0,1,0,0,0,1|1,0,1]=4 1938 B13R0.175 CCC#CC(=O)CCCC(=O)OCC 1458a_100011827653_100011215271 [0,1,0,0,0,1|1,0,0]=3 1939 B13R0.175 CCC#CC(=O)CCNC(=O)OCC 1458a_100011827653_200011445536 [0,1,0,0,0,1|1,0,0]=3 1940 B13R0.175 CCC=CC(=O)CCCC(=O)OCC 1458a_100000212282_100011215271 [0,1,0,0,0,1|1,0,0]=3 1941 B13R0.175 CCC=CC(=O)CCNC(=O)OCC 1458a_100000212282_200011445536 [0,1,0,0,0,1|1,0,0]=3 1942 B13R0.175 CCC=CC(=O)NCCC(=O)NCC 11a_100025743525_100000212282 [0,1,0,0,0,1|2,0,0]=4 1943 B13R0.175 CCC=CC(=O)NCCC(=O)NCC 1626a_100025743525_100000212282 [0,1,0,0,0,1|2,0,0]=4 1944 B13R0.175 CCC=CC(=O)NCCC(=O)NCC 240690a_100025743525_100000212282 [0,1,0,0,0,1|2,0,0]=4 1945 B13R0.175 CCCC(=O)CNCC(=O)NCCF 2230a_100000725713_100000747444 [0,1,0,0,0,1|2,0,0]=4 1946 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [0,1,0,0,0,1|2,0,0]=4 1947 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,1,0,0,0,1|1,0,0]=3 1948 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,1,0,0,0,1|1,0,0]=3 1949 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [0,1,0,0,0,1|1,0,0]=3 1950 B13R0.175 CCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210183 [0,1,0,0,0,1|2,0,0]=4 1951 B13R0.175 CCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210183 [0,1,0,0,0,1|2,0,0]=4 1952 B13R0.175 CCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210183 [0,1,0,0,0,1|2,0,0]=4 1953 B13R0.175 CCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000210183 [0,1,0,0,0,1|2,0,0]=4 1954 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [0,1,0,0,0,1|1,0,0]=3 1955 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000199544_100000210303 [0,1,0,0,0,1|2,0,0]=4 1956 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000211992_100011194427 [0,1,0,0,0,1|2,0,0]=4 1957 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199544 [0,1,0,0,0,1|2,0,0]=4 1958 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100020643023_100000199580 [0,1,0,0,0,1|2,0,0]=4 1959 B13R0.175 CCCNC(=O)CCCC(=O)NCC 1626a_100020643023_100000199580 [0,1,0,0,0,1|2,0,0]=4 1960 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199544 [0,1,0,0,0,1|2,0,0]=4 1961 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100020643023_100000199580 [0,1,0,0,0,1|2,0,0]=4 1962 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199544 [0,1,0,0,0,1|2,0,0]=4 1963 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100020643023_100000199580 [0,1,0,0,0,1|2,0,0]=4 1964 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [0,1,0,0,0,1|1,0,0]=3 1965 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [0,1,0,0,0,1|1,0,0]=3 1966 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [0,1,0,0,0,1|1,0,0]=3 1967 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [0,1,0,0,0,1|1,0,0]=3 1968 B13R0.175 CCCNC(=O)CNCC(=O)CCC 2230a_100000174927_100000747444 [0,1,0,0,0,1|2,0,0]=4 1969 B13R0.175 CCCNC(=O)CNCC(=O)NCC 2230a_100000174927_100000183381 [0,1,0,0,0,1|2,0,0]=4 1970 B13R0.175 CCCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000183358 [0,1,0,0,0,1|2,0,0]=4 1971 B13R0.175 CCCNC(=O)CNCC(=O)OCC 2230a_100000174927_100000188475 [0,1,0,0,0,1|1,0,0]=3 1972 B13R0.175 CCCNC(=O)CSCC(=O)CCC 62a_100000183358_100000747444 [0,1,0,0,0,1|2,0,0]=4 1973 B13R0.175 CCCNC(=O)CSCC(=O)CCC 62a_100000747444_100000183358 [0,1,0,0,0,1|2,0,0]=4 1974 B13R0.175 CCCNC(=O)CSCC(=O)NCC 62a_100000183358_100000183381 [0,1,0,0,0,1|2,0,0]=4 1975 B13R0.175 CCCNC(=O)CSCC(=O)NCC 62a_100000183381_100000183358 [0,1,0,0,0,1|2,0,0]=4 1976 B13R0.175 CCCNC(=O)CSCC(=O)OCC 62a_100000183358_100000188475 [0,1,0,0,0,1|1,0,0]=3 1977 B13R0.175 CCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183358 [0,1,0,0,0,1|1,0,0]=3 1978 B13R0.175 CCCNC(=O)NCCC(=O)NCC 2708a_100020643023_100025743525 [0,1,0,0,0,1|2,0,0]=4 1979 B13R0.175 CCCNC(=O)NCCC(=O)NCC 273464a_100020643023_100025743525 [0,1,0,0,0,1|2,0,0]=4 1980 B13R0.175 CCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100020643023 [0,1,0,0,0,1|2,0,0]=4 1981 B13R0.175 CCCNC(=O)NCCC(=O)NCC 512a_100020643023_100025743525 [0,1,0,0,0,1|2,0,0]=4 1982 B13R0.175 CCCNC(=O)NCCC(=O)NCC 512a_100025743525_100020643023 [0,1,0,0,0,1|2,0,0]=4 1983 B13R0.175 CCCOC(=O)CNCC(=O)NCC 2230a_100016988866_200011215008 [0,1,0,0,0,1|1,0,0]=3 1984 B13R0.175 CCCOC(=O)CSCC(=O)CCC 62a_100000747444_200011215008 [0,1,0,0,0,1|1,0,0]=3 1985 B13R0.175 CCCOC(=O)CSCC(=O)CCC 62a_200011215008_100000747444 [0,1,0,0,0,1|1,0,0]=3 1986 B13R0.175 CCCOC(=O)CSCC(=O)NCC 62a_100000183381_200011215008 [0,1,0,0,0,1|1,0,0]=3 1987 B13R0.175 CCCOC(=O)CSCC(=O)NCC 62a_200011215008_100000183381 [0,1,0,0,0,1|1,0,0]=3 1988 B13R0.175 CCCOC(=O)CSCC(=O)NCO 62a_100000185155_200011215008 [0,1,0,0,0,1|2,0,0]=4 1989 B13R0.175 CCCOC(=O)CSCC(=O)NCO 62a_200011215008_100000185155 [0,1,0,0,0,1|2,0,0]=4 1990 B13R0.175 CCCOC(=O)CSCC(=O)OCC 62a_100000188475_200011215008 [0,1,0,0,0,1|0,0,0]=2 1991 B13R0.175 CCCOC(=O)CSCC(=O)OCC 62a_200011215008_100000188475 [0,1,0,0,0,1|0,0,0]=2 1992 B13R0.175 CCCOC(C)CNCC(=O)OCC 2230a_100015185124_100000188475 [0,1,0,0,0,1|1,0,1]=4 1993 B13R0.175 CCCOC(C)CNCC(=O)OCC 34a_100015185124_100000188475 [0,1,0,0,0,1|1,0,1]=4 1994 B13R0.175 CCNC(=O)CCCC(=O)CCCF 1458a_100000199580_100011934791 [0,1,0,0,0,1|2,0,0]=4 1995 B13R0.175 CCNC(=O)CCCC(=O)CCCO 1458a_100000199580_100011215043 [0,1,0,0,0,1|2,0,0]=4 1996 B13R0.175 CCNC(=O)CCCC(=O)CCOC 1458a_100000199580_100000233755 [0,1,0,0,0,1|2,0,0]=4 1997 B13R0.175 CCNC(=O)CCCC(=O)CCSC 1458a_100000199580_100000751147 [0,1,0,0,0,1|2,0,0]=4 1998 B13R0.175 CCNC(=O)CCCC(=O)NCCF 11a_100000724931_100000199580 [0,1,0,0,0,1|2,0,0]=4 1999 B13R0.175 CCNC(=O)CCCC(=O)NCCF 1626a_100000724931_100000199580 [0,1,0,0,0,1|2,0,0]=4 2000 B13R0.175 CCNC(=O)CCCC(=O)NCCF 240690a_100000724931_100000199580 [0,1,0,0,0,1|2,0,0]=4 2001 B13R0.175 CCNC(=O)CCCC(=O)NCCF 527a_100000724931_100000199580 [0,1,0,0,0,1|2,0,0]=4 2002 B13R0.175 CCNC(=O)CCCC(=O)NCCO 240690a_100000210304_100000199580 [0,1,0,0,0,1|2,0,0]=4 2003 B13R0.175 CCNC(=O)CCCC(=O)NCCO 527a_100000210304_100000199580 [0,1,0,0,0,1|2,0,0]=4 2004 B13R0.175 CCNC(=O)CCNC(=O)CCOC 11a_100025743525_100000749529 [0,1,0,0,0,1|2,0,0]=4 2005 B13R0.175 CCNC(=O)CCNC(=O)CCOC 1626a_100025743525_100000749529 [0,1,0,0,0,1|2,0,0]=4 2006 B13R0.175 CCNC(=O)CCNC(=O)CCOC 240690a_100025743525_100000749529 [0,1,0,0,0,1|2,0,0]=4 2007 B13R0.175 CCNC(=O)CCNC(=O)CCOC 527a_100025743525_100000749529 [0,1,0,0,0,1|2,0,0]=4 2008 B13R0.175 CCNC(=O)CCNC(=O)CCSC 11a_100025743525_100000174002 [0,1,0,0,0,1|2,0,0]=4 2009 B13R0.175 CCNC(=O)CCNC(=O)CCSC 1626a_100025743525_100000174002 [0,1,0,0,0,1|2,0,0]=4 2010 B13R0.175 CCNC(=O)CCNC(=O)CCSC 240690a_100025743525_100000174002 [0,1,0,0,0,1|2,0,0]=4 2011 B13R0.175 CCNC(=O)CCNC(=O)CCSC 527a_100025743525_100000174002 [0,1,0,0,0,1|2,0,0]=4 2012 B13R0.175 CCNC(=O)CCNC(=O)COCC 11a_100025743525_100000211967 [0,1,0,0,0,1|1,0,0]=3 2013 B13R0.175 CCNC(=O)CCNC(=O)COCC 1626a_100025743525_100000211967 [0,1,0,0,0,1|1,0,0]=3 2014 B13R0.175 CCNC(=O)CCNC(=O)COCC 240690a_100025743525_100000211967 [0,1,0,0,0,1|1,0,0]=3 2015 B13R0.175 CCNC(=O)CCNC(=O)COCC 527a_100025743525_100000211967 [0,1,0,0,0,1|1,0,0]=3 2016 B13R0.175 CCNC(=O)CCNC(=O)CSCC 11a_100025743525_100000230394 [0,1,0,0,0,1|1,1,0]=4 2017 B13R0.175 CCNC(=O)CCNC(=O)CSCC 1626a_100025743525_100000230394 [0,1,0,0,0,1|1,1,0]=4 2018 B13R0.175 CCNC(=O)CCNC(=O)CSCC 240690a_100025743525_100000230394 [0,1,0,0,0,1|1,1,0]=4 2019 B13R0.175 CCNC(=O)CCNC(=O)CSCC 527a_100025743525_100000230394 [0,1,0,0,0,1|1,1,0]=4 2020 B13R0.175 CCNC(=O)CCNC(=O)NCCF 273464a_100000724931_100025743525 [0,1,0,0,0,1|2,0,0]=4 2021 B13R0.175 CCNC(=O)CCNC(=O)NCCF 273464a_100025743525_100000724931 [0,1,0,0,0,1|2,0,0]=4 2022 B13R0.175 CCNC(=O)CCNC(=O)NCCF 512a_100025743525_100000724931 [0,1,0,0,0,1|2,0,0]=4 2023 B13R0.175 CCNC(=O)CCNC(=O)NCCO 273464a_100000210304_100025743525 [0,1,0,0,0,1|2,0,0]=4 2024 B13R0.175 CCNC(=O)CCNC(=O)NCCO 273464a_100025743525_100000210304 [0,1,0,0,0,1|2,0,0]=4 2025 B13R0.175 CCNC(=O)CCNC(=O)NCCO 512a_100025743525_100000210304 [0,1,0,0,0,1|2,0,0]=4 2026 B13R0.175 CCNC(=O)CNCC(=O)NCCF 2230a_100000725713_100000183381 [0,1,0,0,0,1|2,0,0]=4 2027 B13R0.175 CCNN=C(C)CCCC(=O)OCC 4a_100000756455_100000032325 [0,1,0,0,0,1|2,0,0]=4 2028 B13R0.175 CCNNC(=O)CCCC(=O)NCC 22a_100000756455_100000199580 [0,1,0,0,0,1|2,0,0]=4 2029 B13R0.175 CCNNC(=O)CCCC(=O)OCC 22a_100000756455_100000210991 [0,1,0,0,0,1|1,0,0]=3 2030 B13R0.175 CCNNC(=O)NCCC(=O)NCC 273464a_100025743525_100000756455 [0,1,0,0,0,1|2,0,0]=4 2031 B13R0.175 CCNNC(=O)NCCC(=O)NCC 512a_100000756455_100025743525 [0,1,0,0,0,1|2,0,0]=4 2032 B13R0.175 CCNNC(=O)NCCC(=O)NCC 512a_100025743525_100000756455 [0,1,0,0,0,1|2,0,0]=4 2033 B13R0.175 CCOC(=O)CCCC(=O)C#CCO 1458a_100000049017_100011215271 [0,1,0,0,0,1|1,0,1]=4 2034 B13R0.175 CCOC(=O)CCCC(=O)C=COC 1458a_100016268678_100011215271 [0,1,0,0,0,1|1,0,1]=4 2035 B13R0.175 CCOC(=O)CCCC(=O)CCC#N 1458a_100000210991_100011215226 [0,1,0,0,0,1|1,0,1]=4 2036 B13R0.175 CCOC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215271 [0,1,0,0,0,1|1,0,1]=4 2037 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [0,1,0,0,0,1|1,0,0]=3 2038 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [0,1,0,0,0,1|1,0,0]=3 2039 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [0,1,0,0,0,1|1,0,0]=3 2040 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [0,1,0,0,0,1|1,0,0]=3 2041 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [0,1,0,0,0,1|1,0,0]=3 2042 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [0,1,0,0,0,1|1,0,0]=3 2043 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [0,1,0,0,0,1|0,1,0]=3 2044 B13R0.175 CCOC(=O)CCCC(=O)NCC#N 1626a_100000734998_100000210991 [0,1,0,0,0,1|1,0,1]=4 2045 B13R0.175 CCOC(=O)CCCC(=O)NCC#N 527a_100000734998_100000210991 [0,1,0,0,0,1|1,0,1]=4 2046 B13R0.175 CCOC(=O)CCCC(=O)NCCF 11a_100000724931_100000210991 [0,1,0,0,0,1|1,0,0]=3 2047 B13R0.175 CCOC(=O)CCCC(=O)NCCF 1626a_100000724931_100000210991 [0,1,0,0,0,1|1,0,0]=3 2048 B13R0.175 CCOC(=O)CCCC(=O)NCCF 240690a_100000724931_100000210991 [0,1,0,0,0,1|1,0,0]=3 2049 B13R0.175 CCOC(=O)CCCC(=O)NCCF 527a_100000724931_100000210991 [0,1,0,0,0,1|1,0,0]=3 2050 B13R0.175 CCOC(=O)CCCC(=O)NCCO 240690a_100000210304_100000210991 [0,1,0,0,0,1|1,0,0]=3 2051 B13R0.175 CCOC(=O)CCCC(=O)NCCO 527a_100000210304_100000210991 [0,1,0,0,0,1|1,0,0]=3 2052 B13R0.175 CCOC(=O)CCNC(=O)CCOC 188690a_100000746078_100000749529 [0,1,0,0,0,1|1,0,0]=3 2053 B13R0.175 CCOC(=O)CCNC(=O)CCSC 188690a_100000746078_100000174002 [0,1,0,0,0,1|1,0,0]=3 2054 B13R0.175 CCOC(=O)CCNC(=O)CSCC 188690a_100000746078_100000230394 [0,1,0,0,0,1|0,1,0]=3 2055 B13R0.175 CCOC(=O)CNCC(=O)NCCF 2230a_100000725713_100000188475 [0,1,0,0,0,1|1,0,0]=3 2056 B13R0.175 CCOC(=O)COC[C@@H](C)OCOC 34a_100016172286_100000188475 [0,1,0,0,0,1|1,0,1]=4 2057 B13R0.175 CCOC(=O)COC[C@@H](C)OCOC 7a_100016172286_100000188475 [0,1,0,0,0,1|1,0,1]=4 2058 B13R0.175 CCOC(=O)CSCC(=O)NCC#N 62a_100000188475_100000736037 [0,1,0,0,0,1|1,0,1]=4 2059 B13R0.175 CCOC(=O)CSCC(=O)NCC#N 62a_100000736037_100000188475 [0,1,0,0,0,1|1,0,1]=4 2060 B13R0.175 CCOC(=O)NCCC(=O)C#CCO 1458a_100000049017_200011445536 [0,1,0,0,0,1|1,0,1]=4 2061 B13R0.175 CCOC(=O)NCCC(=O)C=COC 1458a_100016268678_200011445536 [0,1,0,0,0,1|1,0,1]=4 2062 B13R0.175 CCOC(=O)NCCC(=O)CCC#N 1458a_100011934036_200011445536 [0,1,0,0,0,1|1,0,1]=4 2063 B13R0.175 CCOC(=O)NCCC(=O)CCOC 1458a_100000749529_200011445536 [0,1,0,0,0,1|1,0,0]=3 2064 B13R0.175 CCOC(=O)NCCC(=O)CCSC 1458a_100000174002_200011445536 [0,1,0,0,0,1|1,0,0]=3 2065 B13R0.175 CCOC(=O)NCCC(=O)CSCC 1458a_100000230394_200011445536 [0,1,0,0,0,1|0,1,0]=3 2066 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [0,1,0,0,0,1|0,0,0]=2 2067 B13R0.175 CCOCC(=O)CCNC(=O)OCC 1458a_100000211967_200011445536 [0,1,0,0,0,1|0,0,0]=2 2068 B13R0.175 CCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211967 [0,1,0,0,0,1|0,0,0]=2 2069 B13R0.175 CCOCC(=O)NN=CC(=O)OCC 4a_100000216846_100000742314 [0,1,0,0,0,1|1,0,1]=4 2070 B13R0.175 CCOCC(C)OCCC(=O)OCC 34a_100000718985_100000765890 [0,1,0,0,0,1|1,0,1]=4 2071 B13R0.175 CCOCC(C)OCCC(=O)OCC 7a_100000718985_100011206558 [0,1,0,0,0,1|1,0,1]=4 2072 B13R0.175 CCOCC(O)CNCC(=O)OCC 2230a_102515437182_100000188475 [0,1,0,0,0,1|0,0,2]=4 2073 B13R0.175 CCOCC(O)CNCC(=O)OCC 34a_102515437182_100000188475 [0,1,0,0,0,1|0,0,2]=4 2074 B13R0.332 C=C(C)CC(=O)CCCC(=O)OCC 1458a_100000210991_100000748629 [0,1,0,0,0,1|1,0,1]=4 2075 B13R0.332 C=COC(=O)CSCC(=O)OC(C)C 62a_100000036128_100011215430 [0,1,0,0,0,1|0,0,2]=4 2076 B13R0.332 C=COC(=O)CSCC(=O)OC(C)C 62a_100011215430_100000036128 [0,1,0,0,0,1|0,0,2]=4 2077 B13R0.332 CC(C)OC(=O)CSCC(=O)NCO 62a_100000185155_100011215430 [0,1,0,0,0,1|2,0,0]=4 2078 B13R0.332 CC(C)OC(=O)CSCC(=O)NCO 62a_100011215430_100000185155 [0,1,0,0,0,1|2,0,0]=4 2079 B13R0.332 CCCC(=O)CNCC(=O)NC(C)C 2230a_100000168517_100000747444 [0,1,0,0,0,1|2,0,0]=4 2080 B13R0.332 CCCC(=O)CSCC(=O)NC(C)C 62a_100000183996_100000747444 [0,1,0,0,0,1|2,0,0]=4 2081 B13R0.332 CCCC(=O)CSCC(=O)NC(C)C 62a_100000747444_100000183996 [0,1,0,0,0,1|2,0,0]=4 2082 B13R0.332 CCCC(=O)CSCC(=O)OC(C)C 62a_100000747444_100011215430 [0,1,0,0,0,1|1,0,0]=3 2083 B13R0.332 CCCC(=O)CSCC(=O)OC(C)C 62a_100011215430_100000747444 [0,1,0,0,0,1|1,0,0]=3 2084 B13R0.332 CCNC(=O)CCCC(=O)CC(C)C 1458a_100000199580_100000210624 [0,1,0,0,0,1|2,0,0]=4 2085 B13R0.332 CCNC(=O)CCCC(=O)CC(C)O 1458a_100000199580_100011218427 [0,1,0,0,0,1|2,0,0]=4 2086 B13R0.332 CCNC(=O)CCCC(=O)NC(C)C 11a_100138425928_100000199580 [0,1,0,0,0,1|2,0,0]=4 2087 B13R0.332 CCNC(=O)CCCC(=O)NC(C)C 1626a_100138425928_100000199580 [0,1,0,0,0,1|2,0,0]=4 2088 B13R0.332 CCNC(=O)CCCC(=O)NC(C)C 240690a_100138425928_100000199580 [0,1,0,0,0,1|2,0,0]=4 2089 B13R0.332 CCNC(=O)CCCC(=O)NC(C)C 527a_100138425928_100000199580 [0,1,0,0,0,1|2,0,0]=4 2090 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 11a_100025743525_100000210554 [0,1,0,0,0,1|2,0,0]=4 2091 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 1626a_100025743525_100000210554 [0,1,0,0,0,1|2,0,0]=4 2092 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 240690a_100025743525_100000210554 [0,1,0,0,0,1|2,0,0]=4 2093 B13R0.332 CCNC(=O)CCNC(=O)CC(C)C 527a_100025743525_100000210554 [0,1,0,0,0,1|2,0,0]=4 2094 B13R0.332 CCNC(=O)CCNC(=O)C[C@@H](C)O 240690a_100025743525_100011933948 [0,1,0,0,0,1|2,0,0]=4 2095 B13R0.332 CCNC(=O)CCNC(=O)NC(C)C 2708a_100138425928_100025743525 [0,1,0,0,0,1|2,0,0]=4 2096 B13R0.332 CCNC(=O)CCNC(=O)NC(C)C 273464a_100138425928_100025743525 [0,1,0,0,0,1|2,0,0]=4 2097 B13R0.332 CCNC(=O)CCNC(=O)NC(C)C 512a_100025743525_100138425928 [0,1,0,0,0,1|2,0,0]=4 2098 B13R0.332 CCNC(=O)CCNC(=O)NC(C)C 512a_100138425928_100025743525 [0,1,0,0,0,1|2,0,0]=4 2099 B13R0.332 CCNC(=O)CNCC(=O)NC(C)C 2230a_100000168517_100000183381 [0,1,0,0,0,1|2,0,0]=4 2100 B13R0.332 CCNC(=O)CNCC(=O)NC(C)C 2230a_100016988866_100000183996 [0,1,0,0,0,1|2,0,0]=4 2101 B13R0.332 CCNC(=O)CNCC(=O)OC(C)C 2230a_100016988866_100011215430 [0,1,0,0,0,1|1,0,0]=3 2102 B13R0.332 CCNC(=O)CSCC(=O)NC(C)C 62a_100000183381_100000183996 [0,1,0,0,0,1|2,0,0]=4 2103 B13R0.332 CCNC(=O)CSCC(=O)NC(C)C 62a_100000183996_100000183381 [0,1,0,0,0,1|2,0,0]=4 2104 B13R0.332 CCNC(=O)CSCC(=O)OC(C)C 62a_100000183381_100011215430 [0,1,0,0,0,1|1,0,0]=3 2105 B13R0.332 CCNC(=O)CSCC(=O)OC(C)C 62a_100011215430_100000183381 [0,1,0,0,0,1|1,0,0]=3 2106 B13R0.332 CCOC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215271 [0,1,0,0,0,1|1,0,1]=4 2107 B13R0.332 CCOC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215271 [0,1,0,0,0,1|1,0,1]=4 2108 B13R0.332 CCOC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215271 [0,1,0,0,0,1|1,0,1]=4 2109 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215271 [0,1,0,0,0,1|1,0,0]=3 2110 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210991_100000210624 [0,1,0,0,0,1|1,0,0]=3 2111 B13R0.332 CCOC(=O)CCCC(=O)CC(C)O 1458a_100000210991_100011218427 [0,1,0,0,0,1|1,0,0]=3 2112 B13R0.332 CCOC(=O)CCCC(=O)CC(F)F 1458a_100000210991_100011934356 [0,1,0,0,0,1|2,0,0]=4 2113 B13R0.332 CCOC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011215271 [0,1,0,0,0,1|2,0,0]=4 2114 B13R0.332 CCOC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215271 [0,1,0,0,0,1|1,0,0]=3 2115 B13R0.332 CCOC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011215271 [0,1,0,0,0,1|2,0,0]=4 2116 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 11a_100138425928_100000210991 [0,1,0,0,0,1|1,0,0]=3 2117 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 1626a_100138425928_100000210991 [0,1,0,0,0,1|1,0,0]=3 2118 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 240690a_100138425928_100000210991 [0,1,0,0,0,1|1,0,0]=3 2119 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 527a_100138425928_100000210991 [0,1,0,0,0,1|1,0,0]=3 2120 B13R0.332 CCOC(=O)CCNC(=O)C=C(C)C 188690a_100000746078_100000211388 [0,1,0,0,0,1|1,0,1]=4 2121 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C 188690a_100000746078_100000210554 [0,1,0,0,0,1|1,0,0]=3 2122 B13R0.332 CCOC(=O)CCNC(=O)CN(C)C 188690a_100000746078_100000750896 [0,1,0,0,0,1|2,0,0]=4 2123 B13R0.332 CCOC(=O)CCNC(=O)C[C@@H](C)O 188690a_100000746078_100011933948 [0,1,0,0,0,1|1,0,0]=3 2124 B13R0.332 CCOC(=O)CCNC(=O)C[S+](C)C 188690a_100000746078_200159257847 [0,1,0,0,0,1|2,0,0]=4 2125 B13R0.332 CCOC(=O)CNCC(=O)NC(C)C 2230a_100000168517_100000188475 [0,1,0,0,0,1|1,0,0]=3 2126 B13R0.332 CCOC(=O)CSCC(=O)NC(=O)C 62a_100000188475_100000183797 [0,1,0,0,0,1|1,0,1]=4 2127 B13R0.332 CCOC(=O)CSCC(=O)NC(C)C 62a_100000183996_100000188475 [0,1,0,0,0,1|1,0,0]=3 2128 B13R0.332 CCOC(=O)CSCC(=O)NC(C)C 62a_100000188475_100000183996 [0,1,0,0,0,1|1,0,0]=3 2129 B13R0.332 CCOC(=O)CSCC(=O)OC(C)C 62a_100000188475_100011215430 [0,1,0,0,0,1|0,0,0]=2 2130 B13R0.332 CCOC(=O)CSCC(=O)OC(C)C 62a_100011215430_100000188475 [0,1,0,0,0,1|0,0,0]=2 2131 B13R0.332 CCOC(=O)NCCC(=O)C=C(C)C 1458a_100000211388_200011445536 [0,1,0,0,0,1|1,0,1]=4 2132 B13R0.332 CCOC(=O)NCCC(=O)C=C(C)Cl 1458a_200042562850_200011445536 [0,1,0,0,0,1|1,0,1]=4 2133 B13R0.332 CCOC(=O)NCCC(=O)C=C(C)I 1458a_100025716642_200011445536 [0,1,0,0,0,1|1,0,1]=4 2134 B13R0.332 CCOC(=O)NCCC(=O)CC(C)C 1458a_100000210554_200011445536 [0,1,0,0,0,1|1,0,0]=3 2135 B13R0.332 CCOC(=O)NCCC(=O)CN(C)C 1458a_100000750896_200011445536 [0,1,0,0,0,1|2,0,0]=4 2136 B13R0.332 CCOC(=O)NCCC(=O)C[C@@H](C)O 1458a_100011933948_200011445536 [0,1,0,0,0,1|1,0,0]=3 2137 B13R0.332 CCOC(=O)NCCC(=O)C[S+](C)C 1458a_200159257847_200011445536 [0,1,0,0,0,1|2,0,0]=4 2138 B13R0.369 C/C=C(\C)/C(=O)CCCC(=O)OCC 1458a_100020587367_100011215271 [0,1,0,0,0,1|1,0,1]=4 2139 B13R0.369 C/C=C(\C)/C(=O)CCNC(=O)OCC 1458a_100020587367_200011445536 [0,1,0,0,0,1|1,0,1]=4 2140 B13R0.369 C/C=C(\C)/C(=O)NCCC(=O)OCC 188690a_100000746078_100020587367 [0,1,0,0,0,1|1,0,1]=4 2141 B13R0.369 C=C(CO)C(=O)NCCC(=O)OCC 188690a_100000746078_200000705526 [0,1,0,0,0,1|2,0,0]=4 2142 B13R0.369 CCCC(=O)CSCC(=O)N(C)CC 62a_100000738999_100000747444 [0,1,0,0,0,1|2,0,0]=4 2143 B13R0.369 CCCC(=O)CSCC(=O)N(C)CC 62a_100000747444_100000738999 [0,1,0,0,0,1|2,0,0]=4 2144 B13R0.369 CCNC(=O)CCCC(=O)C(C)CC 1458a_100000199580_100000758301 [0,1,0,0,0,1|2,0,0]=4 2145 B13R0.369 CCNC(=O)CCCC(=O)N(C)CC 11a_100000225621_100000199580 [0,1,0,0,0,1|2,0,0]=4 2146 B13R0.369 CCNC(=O)CCCC(=O)N(C)CC 1626a_100000225621_100000199580 [0,1,0,0,0,1|2,0,0]=4 2147 B13R0.369 CCNC(=O)CCCC(=O)N(C)CC 240690a_100000225621_100000199580 [0,1,0,0,0,1|2,0,0]=4 2148 B13R0.369 CCNC(=O)CCCC(=O)N(C)CC 527a_100000225621_100000199580 [0,1,0,0,0,1|2,0,0]=4 2149 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 11a_100025743525_100011192722 [0,1,0,0,0,1|2,0,0]=4 2150 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 1626a_100025743525_100011192722 [0,1,0,0,0,1|2,0,0]=4 2151 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 240690a_100025743525_100011192722 [0,1,0,0,0,1|2,0,0]=4 2152 B13R0.369 CCNC(=O)CCNC(=O)C(C)CC 527a_100025743525_100011192722 [0,1,0,0,0,1|2,0,0]=4 2153 B13R0.369 CCNC(=O)CCNC(=O)C(O)CC 240690a_100025743525_100011196387 [0,1,0,0,0,1|2,0,0]=4 2154 B13R0.369 CCNC(=O)CCNC(=O)N(C)CC 273464a_100025743525_100000225621 [0,1,0,0,0,1|2,0,0]=4 2155 B13R0.369 CCNC(=O)CNCC(=O)N(C)CC 2230a_100016988866_100000738999 [0,1,0,0,0,1|2,0,0]=4 2156 B13R0.369 CCNC(=O)CSCC(=O)N(C)CC 62a_100000183381_100000738999 [0,1,0,0,0,1|2,0,0]=4 2157 B13R0.369 CCNC(=O)CSCC(=O)N(C)CC 62a_100000738999_100000183381 [0,1,0,0,0,1|2,0,0]=4 2158 B13R0.369 CCOC(=O)CCCC(=O)C(=O)NC 1458a_100011218921_100011215271 [0,1,0,0,0,1|2,0,0]=4 2159 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100000210991_100000758301 [0,1,0,0,0,1|1,0,0]=3 2160 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100011192722_100011215271 [0,1,0,0,0,1|1,0,0]=3 2161 B13R0.369 CCOC(=O)CCCC(=O)C(C)OC 1458a_100000743197_100011215271 [0,1,0,0,0,1|2,0,0]=4 2162 B13R0.369 CCOC(=O)CCCC(=O)C(C)SC 1458a_100000149566_100011215271 [0,1,0,0,0,1|2,0,0]=4 2163 B13R0.369 CCOC(=O)CCCC(=O)C(O)CC 1458a_100011196387_100011215271 [0,1,0,0,0,1|1,0,0]=3 2164 B13R0.369 CCOC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011215271 [0,1,0,0,0,1|2,0,0]=4 2165 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 11a_100000225621_100000210991 [0,1,0,0,0,1|1,0,0]=3 2166 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 1626a_100000225621_100000210991 [0,1,0,0,0,1|1,0,0]=3 2167 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 240690a_100000225621_100000210991 [0,1,0,0,0,1|1,0,0]=3 2168 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 527a_100000225621_100000210991 [0,1,0,0,0,1|1,0,0]=3 2169 B13R0.369 CCOC(=O)CCNC(=O)C(C)CC 188690a_100000746078_100011192722 [0,1,0,0,0,1|1,0,0]=3 2170 B13R0.369 CCOC(=O)CCNC(=O)C(C)OC 188690a_100000746078_100000743197 [0,1,0,0,0,1|2,0,0]=4 2171 B13R0.369 CCOC(=O)CCNC(=O)C(C)SC 188690a_100000746078_100000149566 [0,1,0,0,0,1|2,0,0]=4 2172 B13R0.369 CCOC(=O)CCNC(=O)C(O)CC 188690a_100000746078_100011196387 [0,1,0,0,0,1|1,0,0]=3 2173 B13R0.369 CCOC(=O)CCNC(=O)C(O)CO 188690a_100000746078_100011215603 [0,1,0,0,0,1|2,0,0]=4 2174 B13R0.369 CCOC(=O)CNCC(=O)N(C)OC 2230a_100015207273_100000188475 [0,1,0,0,0,1|2,0,0]=4 2175 B13R0.369 CCOC(=O)CSCC(=O)C(=O)OC 62a_100000188475_100011610305 [0,1,0,0,0,1|2,0,0]=4 2176 B13R0.369 CCOC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000188475 [0,1,0,0,0,1|2,0,0]=4 2177 B13R0.369 CCOC(=O)CSCC(=O)N(C)CC 62a_100000188475_100000738999 [0,1,0,0,0,1|1,0,0]=3 2178 B13R0.369 CCOC(=O)CSCC(=O)N(C)CC 62a_100000738999_100000188475 [0,1,0,0,0,1|1,0,0]=3 2179 B13R0.369 CCOC(=O)CSCC(=O)N(C)OC 62a_100000188475_100000764215 [0,1,0,0,0,1|2,0,0]=4 2180 B13R0.369 CCOC(=O)CSCC(=O)N(C)OC 62a_100000764215_100000188475 [0,1,0,0,0,1|2,0,0]=4 2181 B13R0.369 CCOC(=O)NCCC(=O)C(=O)NC 1458a_100011218921_200011445536 [0,1,0,0,0,1|2,0,0]=4 2182 B13R0.369 CCOC(=O)NCCC(=O)C(C)CC 1458a_100011192722_200011445536 [0,1,0,0,0,1|1,0,0]=3 2183 B13R0.369 CCOC(=O)NCCC(=O)C(C)OC 1458a_100000743197_200011445536 [0,1,0,0,0,1|2,0,0]=4 2184 B13R0.369 CCOC(=O)NCCC(=O)C(C)SC 1458a_100000149566_200011445536 [0,1,0,0,0,1|2,0,0]=4 2185 B13R0.369 CCOC(=O)NCCC(=O)C(O)CC 1458a_100011196387_200011445536 [0,1,0,0,0,1|1,0,0]=3 2186 B13R0.369 CCOC(=O)NCCC(=O)C(O)CO 1458a_100011215603_200011445536 [0,1,0,0,0,1|2,0,0]=4 2187 B13R0.1523 CCOC(=O)CSC[Si](C)(C)OCC 62a_100000188475_200000065227 [0,1,0,0,0,1|1,1,0]=4 2188 B13R0.1523 CCOC(=O)CSC[Si](C)(C)OCC 62a_200000065227_100000188475 [0,1,0,0,0,1|1,1,0]=4 2189 B13R0.39 C#CCCC(=O)C(C)CC(=O)OCC 1458a_100000692101_100009817359 [0,2,0,0,0,0|1,0,1]=4 2190 B13R0.39 C=C(CC(=O)OCC)C(=O)NCCC 1626a_100020643023_200000043866 [0,2,0,0,0,0|1,0,1]=4 2191 B13R0.39 C=C(CC(=O)OCC)C(=O)NCCF 1626a_100000724931_200000043866 [0,2,0,0,0,0|1,0,1]=4 2192 B13R0.39 C=CCCC(=O)C(C)CC(=O)OCC 1458a_100000749702_100009817359 [0,2,0,0,0,0|1,0,1]=4 2193 B13R0.39 CC=CCC(=O)C(C)CC(=O)OCC 1458a_100121576822_100009817359 [0,2,0,0,0,0|1,0,1]=4 2194 B13R0.39 CCC#CC(=O)C(C)CC(=O)OCC 1458a_100011827653_100009817359 [0,2,0,0,0,0|1,0,0]=3 2195 B13R0.39 CCC=CC(=O)C(C)CC(=O)OCC 1458a_100000212282_100009817359 [0,2,0,0,0,0|1,0,0]=3 2196 B13R0.39 CCC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100000212282 [0,2,0,0,0,0|2,0,0]=4 2197 B13R0.39 CCC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000212282 [0,2,0,0,0,0|2,0,0]=4 2198 B13R0.39 CCC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000212282 [0,2,0,0,0,0|2,0,0]=4 2199 B13R0.39 CCCCC(=O)C(C)CC(=O)OCC 1458a_100000210183_100009817359 [0,2,0,0,0,0|1,0,0]=3 2200 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210183 [0,2,0,0,0,0|2,0,0]=4 2201 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210183 [0,2,0,0,0,0|2,0,0]=4 2202 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210183 [0,2,0,0,0,0|2,0,0]=4 2203 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000210183 [0,2,0,0,0,0|2,0,0]=4 2204 B13R0.39 CCCNC(=O)C(=O)CC(=O)OCC 1458a_200011297150_100000188475 [0,2,0,0,0,0|1,0,1]=4 2205 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 11a_100000741943_100000211967 [0,2,0,0,0,0|2,0,0]=4 2206 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 1626a_100000741943_100000211967 [0,2,0,0,0,0|2,0,0]=4 2207 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 240690a_100000741943_100000211967 [0,2,0,0,0,0|2,0,0]=4 2208 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 527a_100000741943_100000211967 [0,2,0,0,0,0|2,0,0]=4 2209 B13R0.39 CCNCC(=O)N(C)CC(=O)OCC 2230a_100015525214_100000754419 [0,2,0,0,0,0|2,0,0]=4 2210 B13R0.39 CCOC(=O)CC(C)C(=O)C#CCO 1458a_100000049017_100009817359 [0,2,0,0,0,0|1,0,1]=4 2211 B13R0.39 CCOC(=O)CC(C)C(=O)C=COC 1458a_100016268678_100009817359 [0,2,0,0,0,0|1,0,1]=4 2212 B13R0.39 CCOC(=O)CC(C)C(=O)CCC#N 1458a_100011934036_100009817359 [0,2,0,0,0,0|1,0,1]=4 2213 B13R0.39 CCOC(=O)CC(C)C(=O)CCOC 1458a_100000749529_100009817359 [0,2,0,0,0,0|1,0,0]=3 2214 B13R0.39 CCOC(=O)CC(C)C(=O)CCSC 1458a_100000174002_100009817359 [0,2,0,0,0,0|1,0,0]=3 2215 B13R0.39 CCOC(=O)CC(C)C(=O)CSCC 1458a_100000230394_100009817359 [0,2,0,0,0,0|0,1,0]=3 2216 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 11a_100000220588_100000749529 [0,2,0,0,0,0|2,0,0]=4 2217 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 1626a_100000220588_100000749529 [0,2,0,0,0,0|2,0,0]=4 2218 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 240690a_100000220588_100000749529 [0,2,0,0,0,0|2,0,0]=4 2219 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 527a_100000220588_100000749529 [0,2,0,0,0,0|2,0,0]=4 2220 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 11a_100000220588_100000174002 [0,2,0,0,0,0|2,0,0]=4 2221 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 1626a_100000220588_100000174002 [0,2,0,0,0,0|2,0,0]=4 2222 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 240690a_100000220588_100000174002 [0,2,0,0,0,0|2,0,0]=4 2223 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 527a_100000220588_100000174002 [0,2,0,0,0,0|2,0,0]=4 2224 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 11a_100000220588_100000230394 [0,2,0,0,0,0|1,1,0]=4 2225 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 1626a_100000220588_100000230394 [0,2,0,0,0,0|1,1,0]=4 2226 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 240690a_100000220588_100000230394 [0,2,0,0,0,0|1,1,0]=4 2227 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 527a_100000220588_100000230394 [0,2,0,0,0,0|1,1,0]=4 2228 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 62a_100000754419_100000210202 [0,2,0,0,0,0|1,1,0]=4 2229 B13R0.39 CCOCC(=O)C(C)CC(=O)OCC 1458a_100000211967_100009817359 [0,2,0,0,0,0|0,0,0]=2 2230 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211967 [0,2,0,0,0,0|1,0,0]=3 2231 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211967 [0,2,0,0,0,0|1,0,0]=3 2232 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211967 [0,2,0,0,0,0|1,0,0]=3 2233 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 34a_100121572206_100000754419 [0,2,0,0,0,0|1,0,0]=3 2234 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211967 [0,2,0,0,0,0|1,0,0]=3 2235 B13R0.55 C=C(CC(=O)OCC)C(=O)NC(C)C 1626a_100138425928_200000043866 [0,2,0,0,0,0|1,0,1]=4 2236 B13R0.55 CCOC(=O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000188475 [0,2,0,0,0,0|1,0,1]=4 2237 B13R0.55 CCOC(=O)CC(C)C(=O)C=C(C)C 1458a_100000211388_100009817359 [0,2,0,0,0,0|1,0,1]=4 2238 B13R0.55 CCOC(=O)CC(C)C(=O)C=C(C)Cl 1458a_200042562850_100009817359 [0,2,0,0,0,0|1,0,1]=4 2239 B13R0.55 CCOC(=O)CC(C)C(=O)C=C(C)I 1458a_100025716642_100009817359 [0,2,0,0,0,0|1,0,1]=4 2240 B13R0.55 CCOC(=O)CC(C)C(=O)CC(C)C 1458a_100000210554_100009817359 [0,2,0,0,0,0|1,0,0]=3 2241 B13R0.55 CCOC(=O)CC(C)C(=O)CN(C)C 1458a_100000750896_100009817359 [0,2,0,0,0,0|2,0,0]=4 2242 B13R0.55 CCOC(=O)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100009817359 [0,2,0,0,0,0|1,0,0]=3 2243 B13R0.55 CCOC(=O)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100009817359 [0,2,0,0,0,0|2,0,0]=4 2244 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 11a_100000220588_100000210554 [0,2,0,0,0,0|2,0,0]=4 2245 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 1626a_100000220588_100000210554 [0,2,0,0,0,0|2,0,0]=4 2246 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 240690a_100000220588_100000210554 [0,2,0,0,0,0|2,0,0]=4 2247 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 527a_100000220588_100000210554 [0,2,0,0,0,0|2,0,0]=4 2248 B13R0.55 CCOC(=O)CN(C)C(=O)C[C@@H](C)O 240690a_100000220588_100011933948 [0,2,0,0,0,0|2,0,0]=4 2249 B13R0.120 CCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210183 [0,2,0,0,0,0|2,0,0]=4 2250 B13R0.120 CCCOC(=O)CC(=O)C(=O)NCC 1458a_200011297158_200011215008 [0,2,0,0,0,0|1,0,1]=4 2251 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 11a_100000736553_100000211967 [0,2,0,0,0,0|2,0,0]=4 2252 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 1626a_100000736553_100000211967 [0,2,0,0,0,0|2,0,0]=4 2253 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 240690a_100000736553_100000211967 [0,2,0,0,0,0|2,0,0]=4 2254 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 527a_100000736553_100000211967 [0,2,0,0,0,0|2,0,0]=4 2255 B13R0.120 CCOC(=O)[C@@H](C)NC(=O)CCOC 188690a_100016988386_100000749529 [0,2,0,0,0,0|2,0,0]=4 2256 B13R0.120 CCOC(=O)[C@@H](C)NC(=O)CCSC 188690a_100016988386_100000174002 [0,2,0,0,0,0|2,0,0]=4 2257 B13R0.120 CCOC(=O)[C@@H](C)NC(=O)CSCC 188690a_100016988386_100000230394 [0,2,0,0,0,0|1,1,0]=4 2258 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 11a_100103168634_100000211967 [0,2,0,0,0,0|1,1,0]=4 2259 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 1626a_100103168634_100000211967 [0,2,0,0,0,0|1,1,0]=4 2260 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 240690a_100103168634_100000211967 [0,2,0,0,0,0|1,1,0]=4 2261 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 527a_100103168634_100000211967 [0,2,0,0,0,0|1,1,0]=4 2262 B13R0.120 CCOCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211967 [0,2,0,0,0,0|1,0,0]=3 2263 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 11a_100000220607_100000211992 [0,2,0,0,0,0|2,0,0]=4 2264 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 1626a_100000220607_100000211992 [0,2,0,0,0,0|2,0,0]=4 2265 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 240690a_100000220607_100000211992 [0,2,0,0,0,0|2,0,0]=4 2266 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 527a_100000220607_100000211992 [0,2,0,0,0,0|2,0,0]=4 2267 B13R0.225 CCCC(=O)N[C@@H](CC)C(=O)OCC 188690a_100025709693_100000211992 [0,2,0,0,0,0|2,0,0]=4 2268 B13R0.225 CCCC(=O)N[C@H](CO)C(=O)OCC 188690a_100016988294_100000211992 [0,2,0,0,0,0|2,0,0]=4 2269 B13R0.225 CCOC(=O)C[C@H](OC)C(=O)OCC 7a_100016993805_200000210301 [0,2,0,0,0,0|0,0,0]=2 2270 B13R0.225 CCOC(=O)C[C@H](O[13CH3])C(=O)OCC 7a_100016993805_200025704644 [0,2,0,0,0,0|0,0,0]=2 2271 B13R0.243 CCCC(=O)C(C)OC(=O)OC(C)C 1458a_100000211992_100000067433 [0,2,0,0,0,0|2,0,0]=4 2272 B13R0.243 CCNC(=O)C(=O)CC(=O)OC(C)C 1458a_200011297158_100011215430 [0,2,0,0,0,0|1,0,1]=4 2273 B13R0.243 CCOC(=O)[C@@H](C)NC(=O)CC(C)C 188690a_100016988386_100000210554 [0,2,0,0,0,0|2,0,0]=4 2274 B13R0.243 CCOC(=O)[C@@H](C)NC(=O)C[C@@H](C)O 188690a_100016988386_100011933948 [0,2,0,0,0,0|2,0,0]=4 2275 B13R0.246 CCOC(=O)[C@@H](C)NC(=O)C(C)CC 188690a_100016988386_100011192722 [0,2,0,0,0,0|2,0,0]=4 2276 B13R0.246 CCOC(=O)[C@@H](C)NC(=O)C(O)CC 188690a_100016988386_100011196387 [0,2,0,0,0,0|2,0,0]=4 2277 B13R0.674 CCNC(=O)C(=O)C(C)C(=O)OCC 1458a_200011297158_100011216346 [0,2,0,0,0,0|1,0,1]=4 2278 B13R0.674 CCNC(=O)C(=O)C(F)C(=O)OCC 1458a_200011297158_100000760018 [0,2,0,0,0,0|1,0,1]=4 2279 B13R0.736 C/C=C(\C)/C(=O)C(C)CC(=O)OCC 1458a_100020587367_100009817359 [0,2,0,0,0,0|1,0,1]=4 2280 B13R0.736 C=C(CC(=O)OCC)C(=O)N(C)CC 1626a_100000225621_200000043866 [0,2,0,0,0,0|1,0,1]=4 2281 B13R0.736 CCOC(=O)CC(C)C(=O)C(=O)NC 1458a_100011218921_100009817359 [0,2,0,0,0,0|2,0,0]=4 2282 B13R0.736 CCOC(=O)CC(C)C(=O)C(C)CC 1458a_100011192722_100009817359 [0,2,0,0,0,0|1,0,0]=3 2283 B13R0.736 CCOC(=O)CC(C)C(=O)C(C)OC 1458a_100000743197_100009817359 [0,2,0,0,0,0|2,0,0]=4 2284 B13R0.736 CCOC(=O)CC(C)C(=O)C(C)SC 1458a_100000149566_100009817359 [0,2,0,0,0,0|2,0,0]=4 2285 B13R0.736 CCOC(=O)CC(C)C(=O)C(O)CC 1458a_100011196387_100009817359 [0,2,0,0,0,0|1,0,0]=3 2286 B13R0.736 CCOC(=O)CC(C)C(=O)C(O)CO 1458a_100011215603_100009817359 [0,2,0,0,0,0|2,0,0]=4 2287 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 11a_100000220588_100011192722 [0,2,0,0,0,0|2,0,0]=4 2288 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 1626a_100000220588_100011192722 [0,2,0,0,0,0|2,0,0]=4 2289 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 240690a_100000220588_100011192722 [0,2,0,0,0,0|2,0,0]=4 2290 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 527a_100000220588_100011192722 [0,2,0,0,0,0|2,0,0]=4 2291 B13R0.736 CCOC(=O)CN(C)C(=O)C(O)CC 240690a_100000220588_100011196387 [0,2,0,0,0,0|2,0,0]=4 2292 B13R0.759 CCCC(=O)NC(C)(C)C(=O)OCC 188690a_100000750574_100000211992 [0,2,0,0,0,0|2,0,0]=4 2293 B13R0.305 CCOCN(CC)CCC(=O)OCC 269982a_200011277716_100000739092 [0,2,0,0,0,0|2,0,0]=4 2294 B13R0.20 CCCC(=O)CCC(=O)N(CC)CC 1458a_100000211992_100011194432 [0,2,0,0,0,0|2,0,0]=4 2295 B13R0.20 CCNC(=O)CCC(=O)C(CC)CC 1458a_100000199579_100000210505 [0,2,0,0,0,0|2,0,0]=4 2296 B13R0.20 CCNC(=O)CCC(=O)N(CC)CC 11a_100000724800_100000199579 [0,2,0,0,0,0|2,0,0]=4 2297 B13R0.20 CCNC(=O)CCC(=O)N(CC)CC 1626a_100000724800_100000199579 [0,2,0,0,0,0|2,0,0]=4 2298 B13R0.20 CCNC(=O)CCC(=O)N(CC)CC 240690a_100000724800_100000199579 [0,2,0,0,0,0|2,0,0]=4 2299 B13R0.20 CCOC(=O)CCC(=O)C(CC)CC 1458a_100000183558_100000210505 [0,2,0,0,0,0|1,0,0]=3 2300 B13R0.20 CCOC(=O)CCC(=O)N(CC)CC 11a_100000724800_100000183558 [0,2,0,0,0,0|1,0,0]=3 2301 B13R0.20 CCOC(=O)CCC(=O)N(CC)CC 1626a_100000724800_100000183558 [0,2,0,0,0,0|1,0,0]=3 2302 B13R0.20 CCOC(=O)CCC(=O)N(CC)CC 240690a_100000724800_100000183558 [0,2,0,0,0,0|1,0,0]=3 2303 B13R0.20 CCOC(=O)CNC(=O)C(CC)CC 188690a_100000741813_100000211163 [0,2,0,0,0,0|2,0,0]=4 2304 B13R0.20 CCOC(=O)CNC(=O)C(CC)OC 188690a_100000741813_100000747056 [0,2,0,0,0,0|2,0,0]=4 2305 B13R0.20 CCOC(=O)NCC(=O)C(CC)CC 1458a_100000190774_100000210505 [0,2,0,0,0,0|2,0,0]=4 2306 B13R0.20 CCOC(=O)NCC(=O)N(CC)CC 11a_100000724800_100000190774 [0,2,0,0,0,0|2,0,0]=4 2307 B13R0.20 CCOC(=O)NCC(=O)N(CC)CC 1626a_100000724800_100000190774 [0,2,0,0,0,0|2,0,0]=4 2308 B13R0.20 CCOC(=O)NCC(=O)N(CC)CC 240690a_100000724800_100000190774 [0,2,0,0,0,0|2,0,0]=4 2309 B13R0.20 CCOC(=O)NCC(=O)N(CC)CC 527a_100000724800_100000190774 [0,2,0,0,0,0|2,0,0]=4 2310 B13R0.98 C/C=C(\C)/C(=O)CCC(=O)OC(C)C 1458a_100020587367_100000760027 [0,2,0,0,0,0|1,0,1]=4 2311 B13R0.98 CC(C)OC(=O)CCC(=O)C(O)CO 1458a_100011215603_100000760027 [0,2,0,0,0,0|2,0,0]=4 2312 B13R0.98 CCC(C)C(=O)CCC(=O)NC(C)C 1458a_100011192722_100000737564 [0,2,0,0,0,0|2,0,0]=4 2313 B13R0.98 CCC(C)C(=O)CCC(=O)OC(C)C 1458a_100011192722_100000760027 [0,2,0,0,0,0|1,0,0]=3 2314 B13R0.98 CCC(C)C(=O)COC(=O)OC(C)C 1458a_100011192722_100000003507 [0,2,0,0,0,0|2,0,0]=4 2315 B13R0.98 CCC(O)C(=O)CCC(=O)NC(C)C 1458a_100011196387_100000737564 [0,2,0,0,0,0|2,0,0]=4 2316 B13R0.98 CCC(O)C(=O)CCC(=O)OC(C)C 1458a_100011196387_100000760027 [0,2,0,0,0,0|1,0,0]=3 2317 B13R0.98 CCC(O)C(=O)COC(=O)OC(C)C 1458a_100011196387_100000003507 [0,2,0,0,0,0|2,0,0]=4 2318 B13R0.98 CNC(=O)C(=O)CCC(=O)OC(C)C 1458a_100011218921_100000760027 [0,2,0,0,0,0|2,0,0]=4 2319 B13R0.98 COC(C)C(=O)CCC(=O)OC(C)C 1458a_100000743197_100000760027 [0,2,0,0,0,0|2,0,0]=4 2320 B13R0.98 CSC(C)C(=O)CCC(=O)OC(C)C 1458a_100000149566_100000760027 [0,2,0,0,0,0|2,0,0]=4 2321 B13R0.131 CCCNC(=O)CCC(=O)C(C)CC 1458a_100000199543_100000758301 [0,2,0,0,0,0|2,0,0]=4 2322 B13R0.131 CCCNC(=O)CCC(=O)N(C)CC 11a_100000225621_100000199543 [0,2,0,0,0,0|2,0,0]=4 2323 B13R0.131 CCCNC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000199543 [0,2,0,0,0,0|2,0,0]=4 2324 B13R0.131 CCCNC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000199543 [0,2,0,0,0,0|2,0,0]=4 2325 B13R0.131 CCCNC(=O)CCC(=O)N(C)CC 527a_100000225621_100000199543 [0,2,0,0,0,0|2,0,0]=4 2326 B13R0.131 CCCOC(=O)OCC(=O)C(C)CC 1458a_100011192722_200000139673 [0,2,0,0,0,0|2,0,0]=4 2327 B13R0.131 CCCOC(=O)OCC(=O)C(O)CC 1458a_100011196387_200000139673 [0,2,0,0,0,0|2,0,0]=4 2328 B13R0.368 CCNC(=O)CCC(=O)N(C)C(C)C 11a_200000211004_100000199579 [0,2,0,0,0,0|2,0,0]=4 2329 B13R0.368 CCNC(=O)CCC(=O)N(C)C(C)C 1626a_200000211004_100000199579 [0,2,0,0,0,0|2,0,0]=4 2330 B13R0.368 CCNC(=O)CCC(=O)N(C)C(C)C 240690a_200000211004_100000199579 [0,2,0,0,0,0|2,0,0]=4 2331 B13R0.368 CCOC(=O)CCC(=O)C(C)C(=O)C 1458a_100000183558_100000179758 [0,2,0,0,0,0|1,0,1]=4 2332 B13R0.368 CCOC(=O)CCC(=O)N(C)C(C)C 11a_200000211004_100000183558 [0,2,0,0,0,0|1,0,0]=3 2333 B13R0.368 CCOC(=O)CCC(=O)N(C)C(C)C 1626a_200000211004_100000183558 [0,2,0,0,0,0|1,0,0]=3 2334 B13R0.368 CCOC(=O)CCC(=O)N(C)C(C)C 240690a_200000211004_100000183558 [0,2,0,0,0,0|1,0,0]=3 2335 B13R0.368 CCOC(=O)CNC(=O)C(C)C(C)C 188690a_100000741813_100000755409 [0,2,0,0,0,0|2,0,0]=4 2336 B13R0.368 CCOC(=O)CNC(=O)[C@H](O)C(C)C 188690a_100000741813_100000691806 [0,2,0,0,0,0|2,0,0]=4 2337 B13R0.368 CCOC(=O)NCC(=O)N(C)C(C)C 11a_200000211004_100000190774 [0,2,0,0,0,0|2,0,0]=4 2338 B13R0.368 CCOC(=O)NCC(=O)N(C)C(C)C 1626a_200000211004_100000190774 [0,2,0,0,0,0|2,0,0]=4 2339 B13R0.368 CCOC(=O)NCC(=O)N(C)C(C)C 240690a_200000211004_100000190774 [0,2,0,0,0,0|2,0,0]=4 2340 B13R0.368 CCOC(=O)NCC(=O)N(C)C(C)C 527a_200000211004_100000190774 [0,2,0,0,0,0|2,0,0]=4 2341 B13R0.1274 CCOC(=O)CNC(=O)C(C)(C)CC 188690a_100000741813_100000749717 [0,2,0,0,0,0|2,0,0]=4 2342 B13R0.1274 CCOC(=O)CNC(=O)C(C)(O)CC 188690a_100000741813_100011219770 [0,2,0,0,0,0|2,0,0]=4 2343 B13R0.1274 CCOC(=O)CNC(=O)C(F)(F)CC 188690a_100000741813_100000061896 [0,2,0,0,0,0|2,0,0]=4 2344 B13R0.17 C#CC(C)NC(=O)CCC(=O)NCC 11a_100000707721_100000199579 [0,2,0,0,0,0|2,0,0]=4 2345 B13R0.17 C#CC(C)NC(=O)CCC(=O)NCC 1626a_100000707721_100000199579 [0,2,0,0,0,0|2,0,0]=4 2346 B13R0.17 C#CC(C)NC(=O)CCC(=O)NCC 240690a_100000707721_100000199579 [0,2,0,0,0,0|2,0,0]=4 2347 B13R0.17 C#CC(C)NC(=O)CCC(=O)OCC 11a_100000707721_100000183558 [0,2,0,0,0,0|1,0,0]=3 2348 B13R0.17 C#CC(C)NC(=O)CCC(=O)OCC 1626a_100000707721_100000183558 [0,2,0,0,0,0|1,0,0]=3 2349 B13R0.17 C#CC(C)NC(=O)CCC(=O)OCC 240690a_100000707721_100000183558 [0,2,0,0,0,0|1,0,0]=3 2350 B13R0.17 C#CC(C)NC(=O)CNC(=O)OCC 11a_100000707721_100000190774 [0,2,0,0,0,0|2,0,0]=4 2351 B13R0.17 C#CC(C)NC(=O)CNC(=O)OCC 1626a_100000707721_100000190774 [0,2,0,0,0,0|2,0,0]=4 2352 B13R0.17 C#CC(C)NC(=O)CNC(=O)OCC 240690a_100000707721_100000190774 [0,2,0,0,0,0|2,0,0]=4 2353 B13R0.17 C#CC(C)NC(=O)CNC(=O)OCC 527a_100000707721_100000190774 [0,2,0,0,0,0|2,0,0]=4 2354 B13R0.17 C#C[C@@H](C)OC(C)CCC(=O)OCC 34a_100009815206_100000748298 [0,2,0,0,0,0|1,0,1]=4 2355 B13R0.17 C#C[C@@H](C)OC(C)CCC(=O)OCC 7a_100009815206_100000748298 [0,2,0,0,0,0|1,0,1]=4 2356 B13R0.17 C=CC(C)CC(=O)NCC(=O)OCC 188690a_100000741813_100011934298 [0,2,0,0,0,0|2,0,0]=4 2357 B13R0.17 C=CC(C)OC(C)CCC(=O)OCC 34a_100000695699_100000748298 [0,2,0,0,0,0|1,0,1]=4 2358 B13R0.17 CCNC(=O)CCC(=O)CC(=O)CC 1458a_100000199579_100000747405 [0,2,0,0,0,0|2,0,0]=4 2359 B13R0.17 CCNC(=O)CCC(=O)CC(C)CC 1458a_100000199579_100000748023 [0,2,0,0,0,0|2,0,0]=4 2360 B13R0.17 CCNC(=O)CCC(=O)CC(O)CC 1458a_100000199579_100011218378 [0,2,0,0,0,0|2,0,0]=4 2361 B13R0.17 CCNC(=O)CCC(=O)C[C@@H](C)CC 1458a_100000199579_100009816398 [0,2,0,0,0,0|2,0,0]=4 2362 B13R0.17 CCNC(=O)CCC(=O)C[C@@H](C)CO 1458a_100000199579_100000059175 [0,2,0,0,0,0|2,0,0]=4 2363 B13R0.17 CCNC(=O)CCC(=O)NC(C)C#N 11a_100000737613_100000199579 [0,2,0,0,0,0|2,0,0]=4 2364 B13R0.17 CCNC(=O)CCC(=O)NC(C)C#N 1626a_100000737613_100000199579 [0,2,0,0,0,0|2,0,0]=4 2365 B13R0.17 CCNC(=O)CCC(=O)NC(C)CC 11a_100000209981_100000199579 [0,2,0,0,0,0|2,0,0]=4 2366 B13R0.17 CCNC(=O)CCC(=O)NC(C)CC 1626a_100000209981_100000199579 [0,2,0,0,0,0|2,0,0]=4 2367 B13R0.17 CCNC(=O)CCC(=O)NC(C)CC 240690a_100000209981_100000199579 [0,2,0,0,0,0|2,0,0]=4 2368 B13R0.17 CCNC(=O)CCC(=O)N[C@H](C)CF 11a_100102880703_100000199579 [0,2,0,0,0,0|2,0,0]=4 2369 B13R0.17 CCNC(=O)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000199579 [0,2,0,0,0,0|2,0,0]=4 2370 B13R0.17 CCNC(=O)CCC(=O)N[C@H](C)CF 240690a_100102880703_100000199579 [0,2,0,0,0,0|2,0,0]=4 2371 B13R0.17 CCNC(=O)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000199579 [0,2,0,0,0,0|2,0,0]=4 2372 B13R0.17 CCOC(=O)CCC(=O)CC(=O)CC 1458a_100000183558_100000747405 [0,2,0,0,0,0|1,0,0]=3 2373 B13R0.17 CCOC(=O)CCC(=O)CC(=O)NC 1458a_100000183558_100000183359 [0,2,0,0,0,0|1,0,1]=4 2374 B13R0.17 CCOC(=O)CCC(=O)CC(=O)OC 1458a_100000183558_100000747449 [0,2,0,0,0,0|1,0,1]=4 2375 B13R0.17 CCOC(=O)CCC(=O)CC(C)CC 1458a_100000183558_100000748023 [0,2,0,0,0,0|1,0,0]=3 2376 B13R0.17 CCOC(=O)CCC(=O)CC(O)CC 1458a_100000183558_100011218378 [0,2,0,0,0,0|1,0,0]=3 2377 B13R0.17 CCOC(=O)CCC(=O)C[C@@H](C)CC 1458a_100000183558_100009816398 [0,2,0,0,0,0|1,0,0]=3 2378 B13R0.17 CCOC(=O)CCC(=O)C[C@@H](C)CO 1458a_100000183558_100000059175 [0,2,0,0,0,0|1,0,0]=3 2379 B13R0.17 CCOC(=O)CCC(=O)NC(C)C#N 11a_100000737613_100000183558 [0,2,0,0,0,0|1,0,0]=3 2380 B13R0.17 CCOC(=O)CCC(=O)NC(C)C#N 1626a_100000737613_100000183558 [0,2,0,0,0,0|1,0,0]=3 2381 B13R0.17 CCOC(=O)CCC(=O)NC(C)CC 11a_100000209981_100000183558 [0,2,0,0,0,0|1,0,0]=3 2382 B13R0.17 CCOC(=O)CCC(=O)NC(C)CC 1626a_100000209981_100000183558 [0,2,0,0,0,0|1,0,0]=3 2383 B13R0.17 CCOC(=O)CCC(=O)NC(C)CC 240690a_100000209981_100000183558 [0,2,0,0,0,0|1,0,0]=3 2384 B13R0.17 CCOC(=O)CCC(=O)N[C@H](C)CF 11a_100102880703_100000183558 [0,2,0,0,0,0|1,0,0]=3 2385 B13R0.17 CCOC(=O)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000183558 [0,2,0,0,0,0|1,0,0]=3 2386 B13R0.17 CCOC(=O)CCC(=O)N[C@H](C)CF 240690a_100102880703_100000183558 [0,2,0,0,0,0|1,0,0]=3 2387 B13R0.17 CCOC(=O)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000183558 [0,2,0,0,0,0|1,0,0]=3 2388 B13R0.17 CCOC(=O)CCC(C)OC(C)C#N 34a_100011218135_100000748298 [0,2,0,0,0,0|1,0,1]=4 2389 B13R0.17 CCOC(=O)CCC(C)OC(C)CC 7a_100000210228_100000748298 [0,2,0,0,0,0|1,0,1]=4 2390 B13R0.17 CCOC(=O)CCC(C)OC(C)CF 34a_100016041109_100000748298 [0,2,0,0,0,0|1,0,1]=4 2391 B13R0.17 CCOC(=O)CCC(C)OC(C)CF 7a_100016041109_100000748298 [0,2,0,0,0,0|1,0,1]=4 2392 B13R0.17 CCOC(=O)CCC(C)OC(C)CN 34a_100000210904_100000748298 [0,2,0,0,0,0|1,0,1]=4 2393 B13R0.17 CCOC(=O)CNC(=O)C=C(C)CC 188690a_100000741813_100020758463 [0,2,0,0,0,0|2,0,0]=4 2394 B13R0.17 CCOC(=O)CNC(=O)CC(=O)CC 1458a_100000210414_100011215850 [0,2,0,0,0,0|2,0,0]=4 2395 B13R0.17 CCOC(=O)CNC(=O)CC(C)CC 188690a_100000741813_100000708755 [0,2,0,0,0,0|2,0,0]=4 2396 B13R0.17 CCOC(=O)CNC(=O)CC(O)CC 188690a_100000741813_100011667805 [0,2,0,0,0,0|2,0,0]=4 2397 B13R0.17 CCOC(=O)CNC(=O)CN(C)CC 188690a_100000741813_100116209913 [0,2,0,0,0,0|2,0,0]=4 2398 B13R0.17 CCOC(=O)CNC(=O)CN(C)CC 2230a_100000225621_100011215850 [0,2,0,0,0,0|2,0,0]=4 2399 B13R0.17 CCOC(=O)CNC(=O)CN(C)CC 269982a_100000225621_100011215850 [0,2,0,0,0,0|2,0,0]=4 2400 B13R0.17 CCOC(=O)NCC(=O)CC(=O)CC 1458a_100000190774_100000747405 [0,2,0,0,0,0|2,0,0]=4 2401 B13R0.17 CCOC(=O)NCC(=O)CC(C)CC 1458a_100000190774_100000748023 [0,2,0,0,0,0|2,0,0]=4 2402 B13R0.17 CCOC(=O)NCC(=O)CC(O)CC 1458a_100000190774_100011218378 [0,2,0,0,0,0|2,0,0]=4 2403 B13R0.17 CCOC(=O)NCC(=O)C[C@@H](C)CC 1458a_100000190774_100009816398 [0,2,0,0,0,0|2,0,0]=4 2404 B13R0.17 CCOC(=O)NCC(=O)C[C@@H](C)CO 1458a_100000190774_100000059175 [0,2,0,0,0,0|2,0,0]=4 2405 B13R0.17 CCOC(=O)NCC(=O)NC(C)C#N 11a_100000737613_100000190774 [0,2,0,0,0,0|2,0,0]=4 2406 B13R0.17 CCOC(=O)NCC(=O)NC(C)C#N 1626a_100000737613_100000190774 [0,2,0,0,0,0|2,0,0]=4 2407 B13R0.17 CCOC(=O)NCC(=O)NC(C)C#N 527a_100000737613_100000190774 [0,2,0,0,0,0|2,0,0]=4 2408 B13R0.17 CCOC(=O)NCC(=O)NC(C)CC 11a_100000209981_100000190774 [0,2,0,0,0,0|2,0,0]=4 2409 B13R0.17 CCOC(=O)NCC(=O)NC(C)CC 1626a_100000209981_100000190774 [0,2,0,0,0,0|2,0,0]=4 2410 B13R0.17 CCOC(=O)NCC(=O)NC(C)CC 240690a_100000209981_100000190774 [0,2,0,0,0,0|2,0,0]=4 2411 B13R0.17 CCOC(=O)NCC(=O)NC(C)CC 527a_100000209981_100000190774 [0,2,0,0,0,0|2,0,0]=4 2412 B13R0.17 CCOC(=O)NCC(=O)N[C@H](C)CF 11a_100102880703_100000190774 [0,2,0,0,0,0|2,0,0]=4 2413 B13R0.17 CCOC(=O)NCC(=O)N[C@H](C)CF 1626a_100102880703_100000190774 [0,2,0,0,0,0|2,0,0]=4 2414 B13R0.17 CCOC(=O)NCC(=O)N[C@H](C)CF 240690a_100102880703_100000190774 [0,2,0,0,0,0|2,0,0]=4 2415 B13R0.17 CCOC(=O)NCC(=O)N[C@H](C)CF 527a_100102880703_100000190774 [0,2,0,0,0,0|2,0,0]=4 2416 B13R0.17 CCOC(=O)NCC(=O)N[C@H](C)CO 240690a_100000737577_100000190774 [0,2,0,0,0,0|2,0,0]=4 2417 B13R0.17 CCOC(=O)NCC(=O)N[C@H](C)CO 527a_100000737577_100000190774 [0,2,0,0,0,0|2,0,0]=4 2418 B13R0.95 C=C(C)CCC(=O)CCC(=O)NCC 1458a_100000199579_100000730704 [0,2,0,0,0,0|2,0,0]=4 2419 B13R0.95 C=C(C)CCC(=O)CCC(=O)OCC 1458a_100000183558_100000730704 [0,2,0,0,0,0|1,0,0]=3 2420 B13R0.95 C=C(C)CCC(=O)CNC(=O)OCC 1458a_100000190774_100000730704 [0,2,0,0,0,0|2,0,0]=4 2421 B13R0.95 C=C(C)CCC(=O)NCC(=O)OCC 188690a_100000741813_200000688413 [0,2,0,0,0,0|2,0,0]=4 2422 B13R0.95 C=C(C)CNC(=O)CCC(=O)NCC 11a_100000765925_100000199579 [0,2,0,0,0,0|2,0,0]=4 2423 B13R0.95 C=C(C)CNC(=O)CCC(=O)NCC 1626a_100000765925_100000199579 [0,2,0,0,0,0|2,0,0]=4 2424 B13R0.95 C=C(C)CNC(=O)CCC(=O)NCC 240690a_100000765925_100000199579 [0,2,0,0,0,0|2,0,0]=4 2425 B13R0.95 C=C(C)CNC(=O)CCC(=O)OCC 11a_100000765925_100000183558 [0,2,0,0,0,0|1,0,0]=3 2426 B13R0.95 C=C(C)CNC(=O)CCC(=O)OCC 1626a_100000765925_100000183558 [0,2,0,0,0,0|1,0,0]=3 2427 B13R0.95 C=C(C)CNC(=O)CCC(=O)OCC 240690a_100000765925_100000183558 [0,2,0,0,0,0|1,0,0]=3 2428 B13R0.95 C=C(C)CNC(=O)CNC(=O)OCC 11a_100000765925_100000190774 [0,2,0,0,0,0|2,0,0]=4 2429 B13R0.95 C=C(C)CNC(=O)CNC(=O)OCC 1626a_100000765925_100000190774 [0,2,0,0,0,0|2,0,0]=4 2430 B13R0.95 C=C(C)CNC(=O)CNC(=O)OCC 240690a_100000765925_100000190774 [0,2,0,0,0,0|2,0,0]=4 2431 B13R0.95 C=C(C)CNC(=O)CNC(=O)OCC 527a_100000765925_100000190774 [0,2,0,0,0,0|2,0,0]=4 2432 B13R0.95 C=C(C)COC(C)CCC(=O)OCC 34a_100000210245_100000748298 [0,2,0,0,0,0|1,0,1]=4 2433 B13R0.95 CCCC(=O)OCC(=O)COC(C)C 1458a_100000745533_100000034017 [0,2,0,0,0,0|2,0,0]=4 2434 B13R0.95 CCNC(=O)CCC(=O)CCC(C)C 1458a_100000199579_100000210312 [0,2,0,0,0,0|2,0,0]=4 2435 B13R0.95 CCNC(=O)CCC(=O)CCC(C)O 1458a_100000199579_100012276601 [0,2,0,0,0,0|2,0,0]=4 2436 B13R0.95 CCNC(=O)CCC(=O)NCC(C)C 11a_100000210953_100000199579 [0,2,0,0,0,0|2,0,0]=4 2437 B13R0.95 CCNC(=O)CCC(=O)NCC(C)C 1626a_100000210953_100000199579 [0,2,0,0,0,0|2,0,0]=4 2438 B13R0.95 CCNC(=O)CCC(=O)NCC(C)C 240690a_100000210953_100000199579 [0,2,0,0,0,0|2,0,0]=4 2439 B13R0.95 CCNC(=O)CCC(=O)NCC(C)O 11a_100000210904_100000199579 [0,2,0,0,0,0|2,0,0]=4 2440 B13R0.95 CCNC(=O)CCC(=O)NCC(C)O 240690a_100000210904_100000199579 [0,2,0,0,0,0|2,0,0]=4 2441 B13R0.95 CCNC(=O)CCC(=O)NCC(F)F 11a_100000765723_100000199579 [0,2,0,0,0,0|2,0,0]=4 2442 B13R0.95 CCNC(=O)CCC(=O)NCC(F)F 1626a_100000765723_100000199579 [0,2,0,0,0,0|2,0,0]=4 2443 B13R0.95 CCNC(=O)CCC(=O)NCC(F)F 240690a_100000765723_100000199579 [0,2,0,0,0,0|2,0,0]=4 2444 B13R0.95 CCNC(=O)CCC(=O)NNC(C)C 22a_100000741168_100000199579 [0,2,0,0,0,0|2,0,0]=4 2445 B13R0.95 CCNC(=O)CNC(=O)COC(C)C 11a_100016988866_100000745533 [0,2,0,0,0,0|2,0,0]=4 2446 B13R0.95 CCNC(=O)CNC(=O)COC(C)C 1626a_100016988866_100000745533 [0,2,0,0,0,0|2,0,0]=4 2447 B13R0.95 CCNC(=O)CNC(=O)COC(C)C 240690a_100016988866_100000745533 [0,2,0,0,0,0|2,0,0]=4 2448 B13R0.95 CCNC(=O)CNC(=O)COC(C)C 527a_100016988866_100000745533 [0,2,0,0,0,0|2,0,0]=4 2449 B13R0.95 CCOC(=O)CCC(=NNC(C)C)C 4a_100000741168_100011212338 [0,2,0,0,0,0|2,0,0]=4 2450 B13R0.95 CCOC(=O)CCC(=O)CC=C(C)C 1458a_100000183558_100000761012 [0,2,0,0,0,0|1,0,1]=4 2451 B13R0.95 CCOC(=O)CCC(=O)CCC(C)C 1458a_100000183558_100000210312 [0,2,0,0,0,0|1,0,0]=3 2452 B13R0.95 CCOC(=O)CCC(=O)CCC(C)O 1458a_100000183558_100012276601 [0,2,0,0,0,0|1,0,0]=3 2453 B13R0.95 CCOC(=O)CCC(=O)NCC(=O)N 11a_100000711301_100000183558 [0,2,0,0,0,0|1,0,1]=4 2454 B13R0.95 CCOC(=O)CCC(=O)NCC(=O)N 240690a_100000711301_100000183558 [0,2,0,0,0,0|1,0,1]=4 2455 B13R0.95 CCOC(=O)CCC(=O)NCC(C)C 11a_100000210953_100000183558 [0,2,0,0,0,0|1,0,0]=3 2456 B13R0.95 CCOC(=O)CCC(=O)NCC(C)C 1626a_100000210953_100000183558 [0,2,0,0,0,0|1,0,0]=3 2457 B13R0.95 CCOC(=O)CCC(=O)NCC(C)C 240690a_100000210953_100000183558 [0,2,0,0,0,0|1,0,0]=3 2458 B13R0.95 CCOC(=O)CCC(=O)NCC(C)O 11a_100000210904_100000183558 [0,2,0,0,0,0|1,0,0]=3 2459 B13R0.95 CCOC(=O)CCC(=O)NCC(C)O 240690a_100000210904_100000183558 [0,2,0,0,0,0|1,0,0]=3 2460 B13R0.95 CCOC(=O)CCC(=O)NCC(F)F 11a_100000765723_100000183558 [0,2,0,0,0,0|1,0,0]=3 2461 B13R0.95 CCOC(=O)CCC(=O)NCC(F)F 1626a_100000765723_100000183558 [0,2,0,0,0,0|1,0,0]=3 2462 B13R0.95 CCOC(=O)CCC(=O)NCC(F)F 240690a_100000765723_100000183558 [0,2,0,0,0,0|1,0,0]=3 2463 B13R0.95 CCOC(=O)CCC(C)OCC(=O)C 34a_100000211253_100000748298 [0,2,0,0,0,0|1,0,1]=4 2464 B13R0.95 CCOC(=O)CCC(C)OCC(C)Br 34a_100012180447_100000748298 [0,2,0,0,0,0|1,0,1]=4 2465 B13R0.95 CCOC(=O)CCC(C)OCC(C)C 34a_100000210257_100000748298 [0,2,0,0,0,0|1,0,1]=4 2466 B13R0.95 CCOC(=O)CCC(C)OCC(C)F 34a_100015925927_100000748298 [0,2,0,0,0,0|1,0,1]=4 2467 B13R0.95 CCOC(=O)CCC(C)OCC(F)F 34a_100000743014_100000748298 [0,2,0,0,0,0|1,0,1]=4 2468 B13R0.95 CCOC(=O)CCC(C)OC[C@@H](C)Cl 34a_100016084084_100000748298 [0,2,0,0,0,0|1,0,1]=4 2469 B13R0.95 CCOC(=O)CCC(C)OC[C@@H](C)N 34a_100000737577_100000748298 [0,2,0,0,0,0|1,0,1]=4 2470 B13R0.95 CCOC(=O)CCN(C)COC(C)C 2230a_100000745921_100000709892 [0,2,0,0,0,0|2,0,0]=4 2471 B13R0.95 CCOC(=O)CCN(C)COC(C)C 269982a_100000745921_100000709892 [0,2,0,0,0,0|2,0,0]=4 2472 B13R0.95 CCOC(=O)CNC(=O)C=CC(C)C 188690a_100000741813_100016268746 [0,2,0,0,0,0|2,0,0]=4 2473 B13R0.95 CCOC(=O)CNC(=O)CCC(C)C 188690a_100000741813_100000181311 [0,2,0,0,0,0|2,0,0]=4 2474 B13R0.95 CCOC(=O)CNC(=O)CCC(C)O 188690a_100000741813_100000718519 [0,2,0,0,0,0|2,0,0]=4 2475 B13R0.95 CCOC(=O)CNC(=O)CCN(C)C 188690a_100000741813_100000689311 [0,2,0,0,0,0|2,0,0]=4 2476 B13R0.95 CCOC(=O)CNC(=O)CC[S+](C)C 188690a_100000741813_100009452791 [0,2,0,0,0,0|2,0,0]=4 2477 B13R0.95 CCOC(=O)CNC(=O)CNC(C)C 2230a_100138425928_100011215850 [0,2,0,0,0,0|2,0,0]=4 2478 B13R0.95 CCOC(=O)CNC(=O)CNC(C)C 34a_100138425928_100011215850 [0,2,0,0,0,0|2,0,0]=4 2479 B13R0.95 CCOC(=O)CNC(=O)COC(C)C 188690a_100000741813_100000745533 [0,2,0,0,0,0|1,0,0]=3 2480 B13R0.95 CCOC(=O)CNC(=O)COC(C)C 34a_100000212225_100011215850 [0,2,0,0,0,0|1,0,0]=3 2481 B13R0.95 CCOC(=O)CNC(=O)CSC(C)C 188690a_100000741813_100000241585 [0,2,0,0,0,0|1,1,0]=4 2482 B13R0.95 CCOC(=O)CNC(=O)CSC(C)C 62a_100000210206_100011215850 [0,2,0,0,0,0|1,1,0]=4 2483 B13R0.95 CCOC(=O)CNC(=O)CSC(C)C 62a_100011215850_100000210206 [0,2,0,0,0,0|1,1,0]=4 2484 B13R0.95 CCOC(=O)NCC(=O)CCC(C)C 1458a_100000190774_100000210312 [0,2,0,0,0,0|2,0,0]=4 2485 B13R0.95 CCOC(=O)NCC(=O)CCC(C)O 1458a_100000190774_100012276601 [0,2,0,0,0,0|2,0,0]=4 2486 B13R0.95 CCOC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000190774 [0,2,0,0,0,0|2,0,0]=4 2487 B13R0.95 CCOC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000190774 [0,2,0,0,0,0|2,0,0]=4 2488 B13R0.95 CCOC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000190774 [0,2,0,0,0,0|2,0,0]=4 2489 B13R0.95 CCOC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000190774 [0,2,0,0,0,0|2,0,0]=4 2490 B13R0.95 CCOC(=O)NCC(=O)NCC(C)O 11a_100000210904_100000190774 [0,2,0,0,0,0|2,0,0]=4 2491 B13R0.95 CCOC(=O)NCC(=O)NCC(C)O 240690a_100000210904_100000190774 [0,2,0,0,0,0|2,0,0]=4 2492 B13R0.95 CCOC(=O)NCC(=O)NCC(C)O 527a_100000210904_100000190774 [0,2,0,0,0,0|2,0,0]=4 2493 B13R0.95 CCOC(=O)NCC(=O)NCC(F)F 11a_100000765723_100000190774 [0,2,0,0,0,0|2,0,0]=4 2494 B13R0.95 CCOC(=O)NCC(=O)NCC(F)F 1626a_100000765723_100000190774 [0,2,0,0,0,0|2,0,0]=4 2495 B13R0.95 CCOC(=O)NCC(=O)NCC(F)F 240690a_100000765723_100000190774 [0,2,0,0,0,0|2,0,0]=4 2496 B13R0.95 CCOC(=O)NCC(=O)NCC(F)F 527a_100000765723_100000190774 [0,2,0,0,0,0|2,0,0]=4 2497 B13R0.95 CCOC(=O)NCC(=O)NNC(C)C 22a_100000741168_100000190774 [0,2,0,0,0,0|2,0,0]=4 2498 B13R0.115 C#CCCC(=O)CCC(=O)OC(C)C 1458a_100000692101_100000760027 [0,2,0,0,0,0|1,0,1]=4 2499 B13R0.115 C=CCCC(=O)CCC(=O)OC(C)C 1458a_100000749702_100000760027 [0,2,0,0,0,0|1,0,1]=4 2500 B13R0.115 CC(C)OC(=O)CCC(=O)C#CCO 1458a_100000049017_100000760027 [0,2,0,0,0,0|1,0,1]=4 2501 B13R0.115 CC(C)OC(=O)CCC(=O)CCC#N 1458a_100011934036_100000760027 [0,2,0,0,0,0|1,0,1]=4 2502 B13R0.115 CC=CCC(=O)CCC(=O)OC(C)C 1458a_100121576822_100000760027 [0,2,0,0,0,0|1,0,1]=4 2503 B13R0.115 CCC#CC(=O)CCC(=O)NC(C)C 1458a_100011827653_100000737564 [0,2,0,0,0,0|2,0,0]=4 2504 B13R0.115 CCC#CC(=O)CCC(=O)OC(C)C 1458a_100011827653_100000760027 [0,2,0,0,0,0|1,0,0]=3 2505 B13R0.115 CCC#CC(=O)COC(=O)OC(C)C 1458a_100011827653_100000003507 [0,2,0,0,0,0|2,0,0]=4 2506 B13R0.115 CCC=CC(=O)CCC(=O)NC(C)C 1458a_100000212282_100000737564 [0,2,0,0,0,0|2,0,0]=4 2507 B13R0.115 CCC=CC(=O)CCC(=O)OC(C)C 1458a_100000212282_100000760027 [0,2,0,0,0,0|1,0,0]=3 2508 B13R0.115 CCC=CC(=O)COC(=O)OC(C)C 1458a_100000212282_100000003507 [0,2,0,0,0,0|2,0,0]=4 2509 B13R0.115 CCCCC(=O)CCC(=O)NC(C)C 1458a_100000210183_100000737564 [0,2,0,0,0,0|2,0,0]=4 2510 B13R0.115 CCCCC(=O)CCC(=O)OC(C)C 1458a_100000210183_100000760027 [0,2,0,0,0,0|1,0,0]=3 2511 B13R0.115 CCCCC(=O)COC(=O)OC(C)C 1458a_100000210183_100000003507 [0,2,0,0,0,0|2,0,0]=4 2512 B13R0.115 CCCNC(=O)CCC(=O)CC(C)C 1458a_100000199543_100000210624 [0,2,0,0,0,0|2,0,0]=4 2513 B13R0.115 CCCNC(=O)CCC(=O)CC(C)O 1458a_100000199543_100011218427 [0,2,0,0,0,0|2,0,0]=4 2514 B13R0.115 CCCNC(=O)CCC(=O)NC(C)C 11a_100138425928_100000199543 [0,2,0,0,0,0|2,0,0]=4 2515 B13R0.115 CCCNC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000199543 [0,2,0,0,0,0|2,0,0]=4 2516 B13R0.115 CCCNC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000199543 [0,2,0,0,0,0|2,0,0]=4 2517 B13R0.115 CCCNC(=O)CCC(=O)NC(C)C 527a_100138425928_100000199543 [0,2,0,0,0,0|2,0,0]=4 2518 B13R0.115 CCCOC(=O)OCC(=O)CC(C)C 1458a_100000210554_200000139673 [0,2,0,0,0,0|2,0,0]=4 2519 B13R0.115 CCCOC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_200000139673 [0,2,0,0,0,0|2,0,0]=4 2520 B13R0.115 CCOCC(=O)CCC(=O)NC(C)C 1458a_100000211967_100000737564 [0,2,0,0,0,0|1,0,0]=3 2521 B13R0.115 CCOCC(=O)CCC(=O)OC(C)C 1458a_100000211967_100000760027 [0,2,0,0,0,0|0,0,0]=2 2522 B13R0.115 CCOCC(=O)COC(=O)OC(C)C 1458a_100000211967_100000003507 [0,2,0,0,0,0|1,0,0]=3 2523 B13R0.115 CCOCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000211967 [0,2,0,0,0,0|2,0,0]=4 2524 B13R0.115 CCOCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000211967 [0,2,0,0,0,0|2,0,0]=4 2525 B13R0.115 CCOCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000211967 [0,2,0,0,0,0|2,0,0]=4 2526 B13R0.115 CCOCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000211967 [0,2,0,0,0,0|2,0,0]=4 2527 B13R0.115 CCSCC(=O)CCC(=O)NC(C)C 1458a_100000230394_100000737564 [0,2,0,0,0,0|1,1,0]=4 2528 B13R0.115 CCSCC(=O)CCC(=O)OC(C)C 1458a_100000230394_100000760027 [0,2,0,0,0,0|0,1,0]=3 2529 B13R0.115 CCSCC(=O)COC(=O)OC(C)C 1458a_100000230394_100000003507 [0,2,0,0,0,0|1,1,0]=4 2530 B13R0.115 COC=CC(=O)CCC(=O)OC(C)C 1458a_100016268678_100000760027 [0,2,0,0,0,0|1,0,1]=4 2531 B13R0.115 COCCC(=O)CCC(=O)NC(C)C 1458a_100000749529_100000737564 [0,2,0,0,0,0|2,0,0]=4 2532 B13R0.115 COCCC(=O)CCC(=O)OC(C)C 1458a_100000749529_100000760027 [0,2,0,0,0,0|1,0,0]=3 2533 B13R0.115 COCCC(=O)COC(=O)OC(C)C 1458a_100000749529_100000003507 [0,2,0,0,0,0|2,0,0]=4 2534 B13R0.115 CSCCC(=O)CCC(=O)NC(C)C 1458a_100000174002_100000737564 [0,2,0,0,0,0|2,0,0]=4 2535 B13R0.115 CSCCC(=O)CCC(=O)OC(C)C 1458a_100000174002_100000760027 [0,2,0,0,0,0|1,0,0]=3 2536 B13R0.115 CSCCC(=O)COC(=O)OC(C)C 1458a_100000174002_100000003507 [0,2,0,0,0,0|2,0,0]=4 2537 B13R0.176 CCC#CC(=O)COC(=O)OCCC 1458a_100011827653_200000139673 [0,2,0,0,0,0|2,0,0]=4 2538 B13R0.176 CCC=CC(=O)COC(=O)OCCC 1458a_100000212282_200000139673 [0,2,0,0,0,0|2,0,0]=4 2539 B13R0.176 CCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210211 [0,2,0,0,0,0|2,0,0]=4 2540 B13R0.176 CCCCC(=O)COC(=O)OCCC 1458a_100000210183_200000139673 [0,2,0,0,0,0|2,0,0]=4 2541 B13R0.176 CCCNC(=O)CCC(=O)CCCF 1458a_100000199543_100011934791 [0,2,0,0,0,0|2,0,0]=4 2542 B13R0.176 CCCNC(=O)CCC(=O)CCCO 1458a_100000199543_100011215043 [0,2,0,0,0,0|2,0,0]=4 2543 B13R0.176 CCCNC(=O)CCC(=O)CCOC 1458a_100000199543_100000233755 [0,2,0,0,0,0|2,0,0]=4 2544 B13R0.176 CCCNC(=O)CCC(=O)CCSC 1458a_100000199543_100000751147 [0,2,0,0,0,0|2,0,0]=4 2545 B13R0.176 CCCNC(=O)CCC(=O)NCCC 11a_100020643023_100000199543 [0,2,0,0,0,0|2,0,0]=4 2546 B13R0.176 CCCNC(=O)CCC(=O)NCCC 1626a_100020643023_100000199543 [0,2,0,0,0,0|2,0,0]=4 2547 B13R0.176 CCCNC(=O)CCC(=O)NCCC 240690a_100020643023_100000199543 [0,2,0,0,0,0|2,0,0]=4 2548 B13R0.176 CCCNC(=O)CCC(=O)NCCC 527a_100020643023_100000199543 [0,2,0,0,0,0|2,0,0]=4 2549 B13R0.176 CCCNC(=O)CCC(=O)NCCF 11a_100000724931_100000199543 [0,2,0,0,0,0|2,0,0]=4 2550 B13R0.176 CCCNC(=O)CCC(=O)NCCF 1626a_100000724931_100000199543 [0,2,0,0,0,0|2,0,0]=4 2551 B13R0.176 CCCNC(=O)CCC(=O)NCCF 240690a_100000724931_100000199543 [0,2,0,0,0,0|2,0,0]=4 2552 B13R0.176 CCCNC(=O)CCC(=O)NCCF 527a_100000724931_100000199543 [0,2,0,0,0,0|2,0,0]=4 2553 B13R0.176 CCCNC(=O)CCC(=O)NCCO 240690a_100000210304_100000199543 [0,2,0,0,0,0|2,0,0]=4 2554 B13R0.176 CCCNC(=O)CCC(=O)NCCO 527a_100000210304_100000199543 [0,2,0,0,0,0|2,0,0]=4 2555 B13R0.176 CCCNC(=O)CCC(=O)NNCC 22a_100000756455_100000199543 [0,2,0,0,0,0|2,0,0]=4 2556 B13R0.176 CCCNC(=O)CNC(=O)COCC 11a_100000174927_100000211967 [0,2,0,0,0,0|2,0,0]=4 2557 B13R0.176 CCCNC(=O)CNC(=O)COCC 1626a_100000174927_100000211967 [0,2,0,0,0,0|2,0,0]=4 2558 B13R0.176 CCCNC(=O)CNC(=O)COCC 240690a_100000174927_100000211967 [0,2,0,0,0,0|2,0,0]=4 2559 B13R0.176 CCCNC(=O)CNC(=O)COCC 527a_100000174927_100000211967 [0,2,0,0,0,0|2,0,0]=4 2560 B13R0.176 CCCOC(=O)CCC(=NNCC)C 4a_100000756455_100011212339 [0,2,0,0,0,0|2,0,0]=4 2561 B13R0.176 CCCOC(=O)OCC(=O)CCOC 1458a_100000749529_200000139673 [0,2,0,0,0,0|2,0,0]=4 2562 B13R0.176 CCCOC(=O)OCC(=O)CCSC 1458a_100000174002_200000139673 [0,2,0,0,0,0|2,0,0]=4 2563 B13R0.176 CCCOC(=O)OCC(=O)COCC 1458a_100000211967_200000139673 [0,2,0,0,0,0|1,0,0]=3 2564 B13R0.176 CCCOC(=O)OCC(=O)CSCC 1458a_100000230394_200000139673 [0,2,0,0,0,0|1,1,0]=4 2565 B13R0.176 CCOCC(=O)NCC(=O)NCCF 11a_100000725713_100000211967 [0,2,0,0,0,0|2,0,0]=4 2566 B13R0.176 CCOCC(=O)NCC(=O)NCCF 1626a_100000725713_100000211967 [0,2,0,0,0,0|2,0,0]=4 2567 B13R0.176 CCOCC(=O)NCC(=O)NCCF 240690a_100000725713_100000211967 [0,2,0,0,0,0|2,0,0]=4 2568 B13R0.176 CCOCC(=O)NCC(=O)NCCF 527a_100000725713_100000211967 [0,2,0,0,0,0|2,0,0]=4 2569 B13R0.176 CCOCC(=O)NNC(=O)COCC 22a_100000216846_100000211967 [0,2,0,0,0,0|2,0,0]=4 2570 B13R0.193 C#CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000731252 [0,2,0,0,0,0|2,0,0]=4 2571 B13R0.193 C#CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000731252 [0,2,0,0,0,0|1,0,0]=3 2572 B13R0.193 C#CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000731252 [0,2,0,0,0,0|2,0,0]=4 2573 B13R0.193 C#CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000690238 [0,2,0,0,0,0|2,0,0]=4 2574 B13R0.193 C#CCCNC(=O)CCC(=O)NCC 11a_100000755551_100000199579 [0,2,0,0,0,0|2,0,0]=4 2575 B13R0.193 C#CCCNC(=O)CCC(=O)NCC 1626a_100000755551_100000199579 [0,2,0,0,0,0|2,0,0]=4 2576 B13R0.193 C#CCCNC(=O)CCC(=O)NCC 240690a_100000755551_100000199579 [0,2,0,0,0,0|2,0,0]=4 2577 B13R0.193 C#CCCNC(=O)CCC(=O)OCC 11a_100000755551_100000183558 [0,2,0,0,0,0|1,0,0]=3 2578 B13R0.193 C#CCCNC(=O)CCC(=O)OCC 1626a_100000755551_100000183558 [0,2,0,0,0,0|1,0,0]=3 2579 B13R0.193 C#CCCNC(=O)CCC(=O)OCC 240690a_100000755551_100000183558 [0,2,0,0,0,0|1,0,0]=3 2580 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 11a_100000755551_100000190774 [0,2,0,0,0,0|2,0,0]=4 2581 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 1626a_100000755551_100000190774 [0,2,0,0,0,0|2,0,0]=4 2582 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 240690a_100000755551_100000190774 [0,2,0,0,0,0|2,0,0]=4 2583 B13R0.193 C#CCCNC(=O)CNC(=O)OCC 527a_100000755551_100000190774 [0,2,0,0,0,0|2,0,0]=4 2584 B13R0.193 C#CCCOC(C)CCC(=O)OCC 34a_100011215631_100000748298 [0,2,0,0,0,0|1,0,1]=4 2585 B13R0.193 C#CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100011251226 [0,2,0,0,0,0|1,0,1]=4 2586 B13R0.193 C#CCOCC(=O)NCC(=O)OCC 34a_100000210247_100011215850 [0,2,0,0,0,0|1,0,1]=4 2587 B13R0.193 C/C=C/COC(C)CCC(=O)OCC 34a_100016270725_100000748298 [0,2,0,0,0,0|1,0,1]=4 2588 B13R0.193 C=CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000757094 [0,2,0,0,0,0|2,0,0]=4 2589 B13R0.193 C=CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000757094 [0,2,0,0,0,0|1,0,0]=3 2590 B13R0.193 C=CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000757094 [0,2,0,0,0,0|2,0,0]=4 2591 B13R0.193 C=CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000766728 [0,2,0,0,0,0|2,0,0]=4 2592 B13R0.193 C=CCCNC(=O)CCC(=O)NCC 11a_100015191253_100000199579 [0,2,0,0,0,0|2,0,0]=4 2593 B13R0.193 C=CCCNC(=O)CCC(=O)NCC 1626a_100015191253_100000199579 [0,2,0,0,0,0|2,0,0]=4 2594 B13R0.193 C=CCCNC(=O)CCC(=O)NCC 240690a_100015191253_100000199579 [0,2,0,0,0,0|2,0,0]=4 2595 B13R0.193 C=CCCNC(=O)CCC(=O)OCC 11a_100015191253_100000183558 [0,2,0,0,0,0|1,0,0]=3 2596 B13R0.193 C=CCCNC(=O)CCC(=O)OCC 1626a_100015191253_100000183558 [0,2,0,0,0,0|1,0,0]=3 2597 B13R0.193 C=CCCNC(=O)CCC(=O)OCC 240690a_100015191253_100000183558 [0,2,0,0,0,0|1,0,0]=3 2598 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 11a_100015191253_100000190774 [0,2,0,0,0,0|2,0,0]=4 2599 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 1626a_100015191253_100000190774 [0,2,0,0,0,0|2,0,0]=4 2600 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 240690a_100015191253_100000190774 [0,2,0,0,0,0|2,0,0]=4 2601 B13R0.193 C=CCCNC(=O)CNC(=O)OCC 527a_100015191253_100000190774 [0,2,0,0,0,0|2,0,0]=4 2602 B13R0.193 C=CCCOC(C)CCC(=O)OCC 34a_100011205117_100000748298 [0,2,0,0,0,0|1,0,1]=4 2603 B13R0.193 C=CCOCC(=O)NCC(=O)OCC 34a_200000210373_100011215850 [0,2,0,0,0,0|1,0,1]=4 2604 B13R0.193 C=COCCC(=O)CCC(=O)OCC 1458a_100000183558_100000039644 [0,2,0,0,0,0|0,0,2]=4 2605 B13R0.193 CC#CCNC(=O)CCC(=O)NCC 11a_100000685387_100000199579 [0,2,0,0,0,0|2,0,0]=4 2606 B13R0.193 CC#CCNC(=O)CCC(=O)NCC 1626a_100000685387_100000199579 [0,2,0,0,0,0|2,0,0]=4 2607 B13R0.193 CC#CCNC(=O)CCC(=O)OCC 11a_100000685387_100000183558 [0,2,0,0,0,0|1,0,0]=3 2608 B13R0.193 CC#CCNC(=O)CCC(=O)OCC 1626a_100000685387_100000183558 [0,2,0,0,0,0|1,0,0]=3 2609 B13R0.193 CC#CCNC(=O)CNC(=O)OCC 11a_100000685387_100000190774 [0,2,0,0,0,0|2,0,0]=4 2610 B13R0.193 CC#CCNC(=O)CNC(=O)OCC 1626a_100000685387_100000190774 [0,2,0,0,0,0|2,0,0]=4 2611 B13R0.193 CC#CCNC(=O)CNC(=O)OCC 527a_100000685387_100000190774 [0,2,0,0,0,0|2,0,0]=4 2612 B13R0.193 CC#CCOC(C)CCC(=O)OCC 34a_100000761923_100000748298 [0,2,0,0,0,0|1,0,1]=4 2613 B13R0.193 CC/C=C/CC(=O)NCC(=O)OCC 188690a_100000741813_100016274230 [0,2,0,0,0,0|2,0,0]=4 2614 B13R0.193 CC/C=C\CC(=O)CCC(=O)NCC 1458a_100000199579_100103147603 [0,2,0,0,0,0|2,0,0]=4 2615 B13R0.193 CC/C=C\CC(=O)CCC(=O)OCC 1458a_100000183558_100103147603 [0,2,0,0,0,0|1,0,0]=3 2616 B13R0.193 CC/C=C\CC(=O)CNC(=O)OCC 1458a_100000190774_100103147603 [0,2,0,0,0,0|2,0,0]=4 2617 B13R0.193 CCC#CCC(=O)CCC(=O)NCC 1458a_100000199579_100009813939 [0,2,0,0,0,0|2,0,0]=4 2618 B13R0.193 CCC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100009813939 [0,2,0,0,0,0|1,0,0]=3 2619 B13R0.193 CCC#CCC(=O)CNC(=O)OCC 1458a_100000190774_100009813939 [0,2,0,0,0,0|2,0,0]=4 2620 B13R0.193 CCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210303 [0,2,0,0,0,0|1,0,0]=3 2621 B13R0.193 CCCC(=O)OCC(=O)C=COCC 1458a_100016266692_100000034017 [0,2,0,0,0,0|2,0,0]=4 2622 B13R0.193 CCCC(=O)OCC(=O)CCOCC 1458a_100000749530_100000034017 [0,2,0,0,0,0|2,0,0]=4 2623 B13R0.193 CCCC(=O)OCC(=O)COCCO 1458a_100000708028_100000034017 [0,2,0,0,0,0|2,0,0]=4 2624 B13R0.193 CCCC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000212230 [0,2,0,0,0,0|2,0,0]=4 2625 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,2,0,0,0,0|2,0,0]=4 2626 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,2,0,0,0,0|1,0,0]=3 2627 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,2,0,0,0,0|2,0,0]=4 2628 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,2,0,0,0,0|2,0,0]=4 2629 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [0,2,0,0,0,0|2,0,0]=4 2630 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [0,2,0,0,0,0|2,0,0]=4 2631 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [0,2,0,0,0,0|2,0,0]=4 2632 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,2,0,0,0,0|1,0,0]=3 2633 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,2,0,0,0,0|1,0,0]=3 2634 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,2,0,0,0,0|1,0,0]=3 2635 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 2636 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 2637 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 2638 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 2639 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,2,0,0,0,0|1,0,1]=4 2640 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,2,0,0,0,0|1,0,1]=4 2641 B13R0.193 CCCNN=C(C)CCC(=O)OCC 4a_100000740057_100011212338 [0,2,0,0,0,0|2,0,0]=4 2642 B13R0.193 CCCNNC(=O)CCC(=O)NCC 22a_100000740057_100000199579 [0,2,0,0,0,0|2,0,0]=4 2643 B13R0.193 CCCNNC(=O)CNC(=O)OCC 22a_100000740057_100000190774 [0,2,0,0,0,0|2,0,0]=4 2644 B13R0.193 CCCOCC(=O)COC(=O)CCC 1458a_100000745993_100000034017 [0,2,0,0,0,0|2,0,0]=4 2645 B13R0.193 CCCOCC(=O)NCC(=O)NCC 11a_100016988866_100000745993 [0,2,0,0,0,0|2,0,0]=4 2646 B13R0.193 CCCOCC(=O)NCC(=O)NCC 1626a_100016988866_100000745993 [0,2,0,0,0,0|2,0,0]=4 2647 B13R0.193 CCCOCC(=O)NCC(=O)NCC 240690a_100016988866_100000745993 [0,2,0,0,0,0|2,0,0]=4 2648 B13R0.193 CCCOCC(=O)NCC(=O)NCC 527a_100016988866_100000745993 [0,2,0,0,0,0|2,0,0]=4 2649 B13R0.193 CCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000745993 [0,2,0,0,0,0|1,0,0]=3 2650 B13R0.193 CCCOCC(=O)NCC(=O)OCC 34a_100000210258_100011215850 [0,2,0,0,0,0|1,0,0]=3 2651 B13R0.193 CCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000217233 [0,2,0,0,0,0|1,1,0]=4 2652 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100000210303_100011215850 [0,2,0,0,0,0|1,1,0]=4 2653 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210303 [0,2,0,0,0,0|1,1,0]=4 2654 B13R0.193 CCNC(=O)CCC(=O)CCCC#N 1458a_100000199579_100000211468 [0,2,0,0,0,0|2,0,0]=4 2655 B13R0.193 CCNC(=O)CCC(=O)CCCCF 1458a_100000199579_100000729493 [0,2,0,0,0,0|2,0,0]=4 2656 B13R0.193 CCNC(=O)CCC(=O)CCCCO 1458a_100000199579_100000210776 [0,2,0,0,0,0|2,0,0]=4 2657 B13R0.193 CCNC(=O)CCC(=O)CCCOC 1458a_100000199579_100000740836 [0,2,0,0,0,0|2,0,0]=4 2658 B13R0.193 CCNC(=O)CCC(=O)CCOCC 1458a_100000199579_100011215890 [0,2,0,0,0,0|1,0,0]=3 2659 B13R0.193 CCNC(=O)CCC(=O)CCSCC 1458a_100000199579_100000757381 [0,2,0,0,0,0|1,1,0]=4 2660 B13R0.193 CCNC(=O)CCC(=O)NCCC#N 11a_100000720768_100000199579 [0,2,0,0,0,0|2,0,0]=4 2661 B13R0.193 CCNC(=O)CCC(=O)NCCC#N 1626a_100000720768_100000199579 [0,2,0,0,0,0|2,0,0]=4 2662 B13R0.193 CCNC(=O)CCC(=O)NCCC#N 240690a_100000720768_100000199579 [0,2,0,0,0,0|2,0,0]=4 2663 B13R0.193 CCNC(=O)CCC(=O)NCCCF 11a_100015189416_100000199579 [0,2,0,0,0,0|2,0,0]=4 2664 B13R0.193 CCNC(=O)CCC(=O)NCCCF 1626a_100015189416_100000199579 [0,2,0,0,0,0|2,0,0]=4 2665 B13R0.193 CCNC(=O)CCC(=O)NCCCF 240690a_100015189416_100000199579 [0,2,0,0,0,0|2,0,0]=4 2666 B13R0.193 CCNC(=O)CCC(=O)NCCCO 240690a_100000182051_100000199579 [0,2,0,0,0,0|2,0,0]=4 2667 B13R0.193 CCNC(=O)CCC(=O)NCCOC 1626a_100000209980_100000199579 [0,2,0,0,0,0|2,0,0]=4 2668 B13R0.193 CCNC(=O)CCC(=O)NCCOC 240690a_100000209980_100000199579 [0,2,0,0,0,0|2,0,0]=4 2669 B13R0.193 CCNC(=O)CCC(=O)NCCSC 11a_100020590264_100000199579 [0,2,0,0,0,0|2,0,0]=4 2670 B13R0.193 CCNC(=O)CCC(=O)NCCSC 1626a_100020590264_100000199579 [0,2,0,0,0,0|2,0,0]=4 2671 B13R0.193 CCNC(=O)CCC(=O)NCCSC 240690a_100020590264_100000199579 [0,2,0,0,0,0|2,0,0]=4 2672 B13R0.193 CCNC(=O)CCC(=O)NNCCO 22a_100000210001_100000199579 [0,2,0,0,0,0|2,0,0]=4 2673 B13R0.193 CCNC(=O)CCC(=O)OCCC#N 240690a_100015525214_200009922858 [0,2,0,0,0,0|1,0,0]=3 2674 B13R0.193 CCNC(=O)CNC(=O)C=COCC 11a_100016988866_100016266692 [0,2,0,0,0,0|2,0,0]=4 2675 B13R0.193 CCNC(=O)CNC(=O)C=COCC 1626a_100016988866_100016266692 [0,2,0,0,0,0|2,0,0]=4 2676 B13R0.193 CCNC(=O)CNC(=O)C=COCC 240690a_100016988866_100016266692 [0,2,0,0,0,0|2,0,0]=4 2677 B13R0.193 CCNC(=O)CNC(=O)CCOCC 11a_100016988866_100000749530 [0,2,0,0,0,0|2,0,0]=4 2678 B13R0.193 CCNC(=O)CNC(=O)CCOCC 1626a_100016988866_100000749530 [0,2,0,0,0,0|2,0,0]=4 2679 B13R0.193 CCNC(=O)CNC(=O)CCOCC 240690a_100016988866_100000749530 [0,2,0,0,0,0|2,0,0]=4 2680 B13R0.193 CCNC(=O)CNC(=O)CCOCC 527a_100016988866_100000749530 [0,2,0,0,0,0|2,0,0]=4 2681 B13R0.193 CCNC(=O)CNC(=O)COCCO 1626a_100016988866_100000708028 [0,2,0,0,0,0|2,0,0]=4 2682 B13R0.193 CCNC(=O)CNC(=O)COCCO 240690a_100016988866_100000708028 [0,2,0,0,0,0|2,0,0]=4 2683 B13R0.193 CCOC(=O)CCC(=NNCCO)C 4a_100000210001_100011212338 [0,2,0,0,0,0|2,0,0]=4 2684 B13R0.193 CCOC(=O)CCC(=O)CC#CCO 1458a_100000183558_200000047223 [0,2,0,0,0,0|1,0,1]=4 2685 B13R0.193 CCOC(=O)CCC(=O)CCCC#N 1458a_100000183558_100000211468 [0,2,0,0,0,0|1,0,0]=3 2686 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,2,0,0,0,0|1,0,0]=3 2687 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,2,0,0,0,0|1,0,0]=3 2688 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,2,0,0,0,0|1,0,0]=3 2689 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,2,0,0,0,0|0,1,0]=3 2690 B13R0.193 CCOC(=O)CCC(=O)NCCC#N 11a_100000720768_100000183558 [0,2,0,0,0,0|1,0,0]=3 2691 B13R0.193 CCOC(=O)CCC(=O)NCCC#N 1626a_100000720768_100000183558 [0,2,0,0,0,0|1,0,0]=3 2692 B13R0.193 CCOC(=O)CCC(=O)NCCC#N 240690a_100000720768_100000183558 [0,2,0,0,0,0|1,0,0]=3 2693 B13R0.193 CCOC(=O)CCC(=O)NCCCF 11a_100015189416_100000183558 [0,2,0,0,0,0|1,0,0]=3 2694 B13R0.193 CCOC(=O)CCC(=O)NCCCF 1626a_100015189416_100000183558 [0,2,0,0,0,0|1,0,0]=3 2695 B13R0.193 CCOC(=O)CCC(=O)NCCCF 240690a_100015189416_100000183558 [0,2,0,0,0,0|1,0,0]=3 2696 B13R0.193 CCOC(=O)CCC(=O)NCCCO 240690a_100000182051_100000183558 [0,2,0,0,0,0|1,0,0]=3 2697 B13R0.193 CCOC(=O)CCC(=O)NCCOC 1626a_100000209980_100000183558 [0,2,0,0,0,0|1,0,0]=3 2698 B13R0.193 CCOC(=O)CCC(=O)NCCOC 240690a_100000209980_100000183558 [0,2,0,0,0,0|1,0,0]=3 2699 B13R0.193 CCOC(=O)CCC(=O)NCCSC 11a_100020590264_100000183558 [0,2,0,0,0,0|1,0,0]=3 2700 B13R0.193 CCOC(=O)CCC(=O)NCCSC 1626a_100020590264_100000183558 [0,2,0,0,0,0|1,0,0]=3 2701 B13R0.193 CCOC(=O)CCC(=O)NCCSC 240690a_100020590264_100000183558 [0,2,0,0,0,0|1,0,0]=3 2702 B13R0.193 CCOC(=O)CCC(C)OCCCBr 34a_100011217188_100000748298 [0,2,0,0,0,0|1,0,1]=4 2703 B13R0.193 CCOC(=O)CCC(C)OCCCCl 34a_100000230001_100000748298 [0,2,0,0,0,0|1,0,1]=4 2704 B13R0.193 CCOC(=O)CCC(C)OCCCF 34a_100000759539_100000748298 [0,2,0,0,0,0|1,0,1]=4 2705 B13R0.193 CCOC(=O)CCC(C)OCCCN 34a_100000182051_100000748298 [0,2,0,0,0,0|1,0,1]=4 2706 B13R0.193 CCOC(=O)CCC(C)OCCOC 34a_100000210237_100000748298 [0,2,0,0,0,0|1,0,1]=4 2707 B13R0.193 CCOC(=O)CCC(C)OCCON 34a_100000700252_100000748298 [0,2,0,0,0,0|1,0,1]=4 2708 B13R0.193 CCOC(=O)CCC(C)OCCSC 34a_100000230434_100000748298 [0,2,0,0,0,0|1,0,1]=4 2709 B13R0.193 CCOC(=O)CCC(C)OCCSC 7a_100000230434_100000748298 [0,2,0,0,0,0|1,0,1]=4 2710 B13R0.193 CCOC(=O)CNC(=O)C=CCOC 188690a_100000741813_100016285016 [0,2,0,0,0,0|2,0,0]=4 2711 B13R0.193 CCOC(=O)CNC(=O)CCCCO 188690a_100000741813_100000695505 [0,2,0,0,0,0|2,0,0]=4 2712 B13R0.193 CCOC(=O)CNC(=O)CCCOC 188690a_100000741813_100000741012 [0,2,0,0,0,0|2,0,0]=4 2713 B13R0.193 CCOC(=O)CNC(=O)CCCSC 188690a_100000741813_100000173376 [0,2,0,0,0,0|2,0,0]=4 2714 B13R0.193 CCOC(=O)CNC(=O)CCSCC 188690a_100000741813_100000230768 [0,2,0,0,0,0|1,1,0]=4 2715 B13R0.193 CCOC(=O)CNC(=O)CNCCF 34a_100000724931_100011215850 [0,2,0,0,0,0|2,0,0]=4 2716 B13R0.193 CCOC(=O)CNC(=O)CNCCO 2230a_100016997473_100011215850 [0,2,0,0,0,0|2,0,0]=4 2717 B13R0.193 CCOC(=O)CNC(=O)CNCCO 34a_100016990907_100011215850 [0,2,0,0,0,0|2,0,0]=4 2718 B13R0.193 CCOC(=O)CNC(=O)COCCBr 34a_100000211926_100011215850 [0,2,0,0,0,0|1,0,0]=3 2719 B13R0.193 CCOC(=O)CNC(=O)COCCN 34a_100000210304_100011215850 [0,2,0,0,0,0|1,0,0]=3 2720 B13R0.193 CCOC(=O)CNC(=O)COCCO 188690a_100000741813_100000708028 [0,2,0,0,0,0|1,0,0]=3 2721 B13R0.193 CCOC(=O)CNC(=O)CSCCF 62a_100011215850_100011217306 [0,2,0,0,0,0|1,1,0]=4 2722 B13R0.193 CCOC(=O)CNC(=O)CSCCF 62a_100011217306_100011215850 [0,2,0,0,0,0|1,1,0]=4 2723 B13R0.193 CCOC(=O)CNC(=O)CSCCO 62a_100000211926_100011215850 [0,2,0,0,0,0|1,1,0]=4 2724 B13R0.193 CCOC(=O)CNC(=O)CSCCO 62a_100011215850_100000211926 [0,2,0,0,0,0|1,1,0]=4 2725 B13R0.193 CCOC(=O)CNC(=O)CSCOC 62a_100000766300_100011215850 [0,2,0,0,0,0|1,1,0]=4 2726 B13R0.193 CCOC(=O)CNC(=O)CSCOC 62a_100011215850_100000766300 [0,2,0,0,0,0|1,1,0]=4 2727 B13R0.193 CCOC(=O)CNC(=O)CSCSC 62a_100011215850_100011218213 [0,2,0,0,0,0|1,1,0]=4 2728 B13R0.193 CCOC(=O)CNC(=O)CSCSC 62a_100011218213_100011215850 [0,2,0,0,0,0|1,1,0]=4 2729 B13R0.193 CCOC(=O)NCC(=O)CCCC#N 1458a_100000190774_100000211468 [0,2,0,0,0,0|2,0,0]=4 2730 B13R0.193 CCOC(=O)NCC(=O)CCCCF 1458a_100000190774_100000729493 [0,2,0,0,0,0|2,0,0]=4 2731 B13R0.193 CCOC(=O)NCC(=O)CCCCO 1458a_100000190774_100000210776 [0,2,0,0,0,0|2,0,0]=4 2732 B13R0.193 CCOC(=O)NCC(=O)CCCOC 1458a_100000190774_100000740836 [0,2,0,0,0,0|2,0,0]=4 2733 B13R0.193 CCOC(=O)NCC(=O)CCSCC 1458a_100000190774_100000757381 [0,2,0,0,0,0|1,1,0]=4 2734 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 11a_100000720768_100000190774 [0,2,0,0,0,0|2,0,0]=4 2735 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 1626a_100000720768_100000190774 [0,2,0,0,0,0|2,0,0]=4 2736 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 240690a_100000720768_100000190774 [0,2,0,0,0,0|2,0,0]=4 2737 B13R0.193 CCOC(=O)NCC(=O)NCCC#N 527a_100000720768_100000190774 [0,2,0,0,0,0|2,0,0]=4 2738 B13R0.193 CCOC(=O)NCC(=O)NCCCF 11a_100015189416_100000190774 [0,2,0,0,0,0|2,0,0]=4 2739 B13R0.193 CCOC(=O)NCC(=O)NCCCF 1626a_100015189416_100000190774 [0,2,0,0,0,0|2,0,0]=4 2740 B13R0.193 CCOC(=O)NCC(=O)NCCCF 240690a_100015189416_100000190774 [0,2,0,0,0,0|2,0,0]=4 2741 B13R0.193 CCOC(=O)NCC(=O)NCCCF 527a_100015189416_100000190774 [0,2,0,0,0,0|2,0,0]=4 2742 B13R0.193 CCOC(=O)NCC(=O)NCCCO 240690a_100000182051_100000190774 [0,2,0,0,0,0|2,0,0]=4 2743 B13R0.193 CCOC(=O)NCC(=O)NCCCO 527a_100000182051_100000190774 [0,2,0,0,0,0|2,0,0]=4 2744 B13R0.193 CCOC(=O)NCC(=O)NCCOC 1626a_100000209980_100000190774 [0,2,0,0,0,0|2,0,0]=4 2745 B13R0.193 CCOC(=O)NCC(=O)NCCOC 240690a_100000209980_100000190774 [0,2,0,0,0,0|2,0,0]=4 2746 B13R0.193 CCOC(=O)NCC(=O)NCCOC 527a_100000209980_100000190774 [0,2,0,0,0,0|2,0,0]=4 2747 B13R0.193 CCOC(=O)NCC(=O)NCCSC 11a_100020590264_100000190774 [0,2,0,0,0,0|2,0,0]=4 2748 B13R0.193 CCOC(=O)NCC(=O)NCCSC 1626a_100020590264_100000190774 [0,2,0,0,0,0|2,0,0]=4 2749 B13R0.193 CCOC(=O)NCC(=O)NCCSC 240690a_100020590264_100000190774 [0,2,0,0,0,0|2,0,0]=4 2750 B13R0.193 CCOC(=O)NCC(=O)NCCSC 527a_100020590264_100000190774 [0,2,0,0,0,0|2,0,0]=4 2751 B13R0.193 CCOC(=O)NCC(=O)NNCCO 22a_100000210001_100000190774 [0,2,0,0,0,0|2,0,0]=4 2752 B13R0.193 CCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215890 [0,2,0,0,0,0|0,0,2]=4 2753 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,2,0,0,0,0|0,0,0]=2 2754 B13R0.193 CCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215890 [0,2,0,0,0,0|1,0,0]=3 2755 B13R0.193 CCOCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749530 [0,2,0,0,0,0|1,0,0]=3 2756 B13R0.193 CCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215890 [0,2,0,0,0,0|2,0,0]=4 2757 B13R0.193 CCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215890 [0,2,0,0,0,0|2,0,0]=4 2758 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000739092_100000748298 [0,2,0,0,0,0|1,0,1]=4 2759 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000748298_100000739092 [0,2,0,0,0,0|1,0,1]=4 2760 B13R0.193 CNNC(=O)CCC(=O)OCCC#N 22a_100016993582_200009922858 [0,2,0,0,0,0|2,0,0]=4 2761 B13R0.193 N#CCCOC(=O)CCC(=O)CCF 1458a_200009922858_100011217306 [0,2,0,0,0,0|2,0,0]=4 2762 B13R0.193 N#CCCOC(=O)CCC(=O)CCO 1458a_200009922858_100000211926 [0,2,0,0,0,0|2,0,0]=4 2763 B13R0.27 CC(C)(C)OC(=O)CCC(=O)CCF 1458a_100000691576_100011217306 [0,2,0,0,0,0|2,0,0]=4 2764 B13R0.27 CC(C)(C)OC(=O)CCC(=O)CCO 1458a_100000691576_100000211926 [0,2,0,0,0,0|2,0,0]=4 2765 B13R0.27 CCCC(=O)CCC(=O)NC(C)(C)C 1458a_100000186398_100000210303 [0,2,0,0,0,0|2,0,0]=4 2766 B13R0.27 CCCC(=O)CCC(=O)OC(C)(C)C 1458a_100000691576_100000210303 [0,2,0,0,0,0|1,0,0]=3 2767 B13R0.27 CCCC(=O)CNC(=O)OC(C)(C)C 1458a_100000184747_100000210303 [0,2,0,0,0,0|2,0,0]=4 2768 B13R0.27 CCCC(=O)NCC(=O)OC(C)(C)C 188690a_100000756590_100000211992 [0,2,0,0,0,0|2,0,0]=4 2769 B13R0.27 CCNC(=O)CCC(=O)NC(C)(C)C 11a_100000715429_100000199579 [0,2,0,0,0,0|2,0,0]=4 2770 B13R0.27 CCNC(=O)CCC(=O)NC(C)(C)C 11a_100015525214_100000186398 [0,2,0,0,0,0|2,0,0]=4 2771 B13R0.27 CCNC(=O)CCC(=O)NC(C)(C)C 1626a_100000715429_100000199579 [0,2,0,0,0,0|2,0,0]=4 2772 B13R0.27 CCNC(=O)CCC(=O)NC(C)(C)C 240690a_100000715429_100000199579 [0,2,0,0,0,0|2,0,0]=4 2773 B13R0.27 CCNC(=O)CCC(=O)NC(C)(C)C 240690a_100015525214_100000186398 [0,2,0,0,0,0|2,0,0]=4 2774 B13R0.27 CCNC(=O)CCC(=O)NC(C)(C)C 527a_100015525214_100000186398 [0,2,0,0,0,0|2,0,0]=4 2775 B13R0.27 CCNC(=O)CCC(=O)OC(C)(C)C 11a_100015525214_100000691576 [0,2,0,0,0,0|1,0,0]=3 2776 B13R0.27 CCNC(=O)CCC(=O)OC(C)(C)C 240690a_100015525214_100000691576 [0,2,0,0,0,0|1,0,0]=3 2777 B13R0.27 CCNC(=O)CCC(=O)OC(C)(C)C 527a_100015525214_100000691576 [0,2,0,0,0,0|1,0,0]=3 2778 B13R0.27 CCNC(=O)CNC(=O)OC(C)(C)C 11a_100015525214_100000184747 [0,2,0,0,0,0|2,0,0]=4 2779 B13R0.27 CCNC(=O)CNC(=O)OC(C)(C)C 240690a_100015525214_100000184747 [0,2,0,0,0,0|2,0,0]=4 2780 B13R0.27 CCNC(=O)CNC(=O)OC(C)(C)C 275292b_100015525214_100000184747 [0,2,0,0,0,0|2,0,0]=4 2781 B13R0.27 CCNC(=O)CNC(=O)OC(C)(C)C 527a_100015525214_100000184747 [0,2,0,0,0,0|2,0,0]=4 2782 B13R0.27 CCOC(=O)CCC(=O)C[Si](C)(C)C 1458a_100000183558_100000233785 [0,2,0,0,0,0|1,1,0]=4 2783 B13R0.27 CCOC(=O)CCC(=O)NC(C)(C)C 11a_100000715429_100000183558 [0,2,0,0,0,0|1,0,0]=3 2784 B13R0.27 CCOC(=O)CCC(=O)NC(C)(C)C 1626a_100000715429_100000183558 [0,2,0,0,0,0|1,0,0]=3 2785 B13R0.27 CCOC(=O)CCC(=O)NC(C)(C)C 240690a_100000715429_100000183558 [0,2,0,0,0,0|1,0,0]=3 2786 B13R0.27 CCOC(=O)CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000183558 [0,2,0,0,0,0|2,0,0]=4 2787 B13R0.27 CCOC(=O)CCC(C)OC(C)(C)C 34a_100015890283_100000748298 [0,2,0,0,0,0|1,0,1]=4 2788 B13R0.27 CCOC(=O)CCC(C)OC(C)(C)C 7a_100015890283_100000748298 [0,2,0,0,0,0|1,0,1]=4 2789 B13R0.27 CCOC(=O)CNC(=O)CC(C)(C)C 188690a_100000741813_100000211214 [0,2,0,0,0,0|2,0,0]=4 2790 B13R0.27 CCOC(=O)CNC(=O)CC(C)(C)O 188690a_100000741813_100000693243 [0,2,0,0,0,0|2,0,0]=4 2791 B13R0.27 CCOC(=O)NCC(=O)NC(C)(C)C 11a_100000715429_100000190774 [0,2,0,0,0,0|2,0,0]=4 2792 B13R0.27 CCOC(=O)NCC(=O)NC(C)(C)C 1626a_100000715429_100000190774 [0,2,0,0,0,0|2,0,0]=4 2793 B13R0.27 CCOC(=O)NCC(=O)NC(C)(C)C 240690a_100000715429_100000190774 [0,2,0,0,0,0|2,0,0]=4 2794 B13R0.27 CCOC(=O)NCC(=O)NC(C)(C)C 527a_100000715429_100000190774 [0,2,0,0,0,0|2,0,0]=4 2795 B13R0.27 CNNC(=O)CCC(=O)OC(C)(C)C 22a_100016993582_100000691576 [0,2,0,0,0,0|2,0,0]=4 2796 B13R0.76 CC(=CC(=O)CCC(=O)OC(C)C)C 1458a_100000211388_100000760027 [0,2,0,0,0,0|1,0,1]=4 2797 B13R0.76 CC(=CC(=O)CCC(=O)OC(C)C)Cl 1458a_200042562850_100000760027 [0,2,0,0,0,0|1,0,1]=4 2798 B13R0.76 CC(=CC(=O)CCC(=O)OC(C)C)I 1458a_100025716642_100000760027 [0,2,0,0,0,0|1,0,1]=4 2799 B13R0.76 CC(C)CC(=O)CCC(=O)NC(C)C 1458a_100000210554_100000737564 [0,2,0,0,0,0|2,0,0]=4 2800 B13R0.76 CC(C)CC(=O)CCC(=O)OC(C)C 1458a_100000210554_100000760027 [0,2,0,0,0,0|1,0,0]=3 2801 B13R0.76 CC(C)CC(=O)COC(=O)OC(C)C 1458a_100000210554_100000003507 [0,2,0,0,0,0|2,0,0]=4 2802 B13R0.76 CC(C)NC(=O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000737564 [0,2,0,0,0,0|2,0,0]=4 2803 B13R0.76 CC(C)OC(=O)CCC(=O)CN(C)C 1458a_100000750896_100000760027 [0,2,0,0,0,0|2,0,0]=4 2804 B13R0.76 CC(C)OC(=O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000760027 [0,2,0,0,0,0|1,0,0]=3 2805 B13R0.76 CC(C)OC(=O)CCC(=O)C[S+](C)C 1458a_200159257847_100000760027 [0,2,0,0,0,0|2,0,0]=4 2806 B13R0.76 CC(C)OC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100000003507 [0,2,0,0,0,0|2,0,0]=4 2807 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [1,0,0,1,0,0|1,0,1]=4 2808 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [1,0,0,1,0,0|1,0,1]=4 2809 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [1,0,0,1,0,0|2,0,0]=4 2810 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [1,0,0,1,0,0|1,0,1]=4 2811 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [1,0,0,1,0,0|1,0,1]=4 2812 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [1,0,0,1,0,0|1,0,1]=4 2813 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [1,0,0,1,0,0|2,0,0]=4 2814 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [1,0,0,1,0,0|2,0,0]=4 2815 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [1,0,0,1,0,0|2,0,0]=4 2816 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [1,0,0,1,0,0|1,0,1]=4 2817 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [1,0,0,1,0,0|2,0,0]=4 2818 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [1,0,0,1,0,0|1,0,1]=4 2819 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [1,0,0,1,0,0|1,0,1]=4 2820 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [1,0,0,1,0,0|2,0,0]=4 2821 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [1,0,0,1,0,0|2,0,0]=4 2822 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [1,0,0,1,0,0|2,0,0]=4 2823 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [1,0,0,1,0,0|1,0,1]=4 2824 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [1,0,0,1,0,0|1,0,1]=4 2825 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [1,0,0,1,0,0|1,0,1]=4 2826 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [1,0,0,1,0,0|1,0,1]=4 2827 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [1,0,0,1,0,0|1,0,1]=4 2828 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [1,0,0,1,0,0|2,0,0]=4 2829 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [1,0,0,1,0,0|2,0,0]=4 2830 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [1,0,0,1,0,0|2,0,0]=4 2831 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [1,0,0,1,0,0|2,0,0]=4 2832 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [1,0,0,1,0,0|1,0,1]=4 2833 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [1,0,0,1,0,0|2,0,0]=4 2834 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [1,0,0,1,0,0|2,0,0]=4 2835 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [1,0,0,1,0,0|2,0,0]=4 2836 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [1,0,0,1,0,0|2,0,0]=4 2837 B11R1.15 CCNC(=O)C1CNC(=O)C1 11a_100015525214_100000747279 [1,0,0,1,0,0|2,0,0]=4 2838 B11R1.15 CCNC(=O)C1CNC(=O)C1 240690a_100015525214_100000747279 [1,0,0,1,0,0|2,0,0]=4 2839 B11R1.15 CCNC(=O)C1CNC(=O)C1 527a_100015525214_100000747279 [1,0,0,1,0,0|2,0,0]=4 2840 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [1,0,0,1,0,0|2,0,0]=4 2841 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [1,0,0,1,0,0|2,0,0]=4 2842 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [1,0,0,1,0,0|2,0,0]=4 2843 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [1,0,0,1,0,0|2,0,0]=4 2844 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [1,0,0,1,0,0|2,0,0]=4 2845 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [1,0,0,1,0,0|2,0,0]=4 2846 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [1,0,0,1,0,0|2,0,0]=4 2847 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [1,0,0,1,0,0|1,0,0]=3 2848 B11R1.23 CCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210414 [1,0,0,1,0,0|2,0,0]=4 2849 B11R1.23 CCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210414 [1,0,0,1,0,0|2,0,0]=4 2850 B11R1.23 CCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210414 [1,0,0,1,0,0|2,0,0]=4 2851 B11R1.23 CCC(=O)N1CCNC(=O)C1 527a_100000184651_100000210414 [1,0,0,1,0,0|2,0,0]=4 2852 B11R1.23 CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210414 [1,0,0,1,0,0|1,0,0]=3 2853 B11R1.23 CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210414 [1,0,0,1,0,0|1,0,0]=3 2854 B11R1.23 CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210414 [1,0,0,1,0,0|1,0,0]=3 2855 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [1,0,0,1,0,0|2,0,0]=4 2856 B11R1.23 CNC(=O)C1CCNC(=O)C1 11a_106832991635_100000132800 [1,0,0,1,0,0|2,0,0]=4 2857 B11R1.23 CNC(=O)C1CCNC(=O)C1 1626a_100102657272_100000132800 [1,0,0,1,0,0|2,0,0]=4 2858 B11R1.23 CNC(=O)C1CCNC(=O)C1 240690a_100102657272_100000132800 [1,0,0,1,0,0|2,0,0]=4 2859 B11R1.23 CNC(=O)C1CCNC(=O)C1 527a_100102657272_100000132800 [1,0,0,1,0,0|2,0,0]=4 2860 B11R1.23 CNC(=O)N1CCOC(=O)C1 2708a_100102657272_100000131268 [1,0,0,1,0,0|2,0,0]=4 2861 B11R1.23 O=C1CC(CCN1)C(=O)CF 1458a_100000132800_100015361967 [1,0,0,1,0,0|2,0,0]=4 2862 B11R1.23 O=C1CN(CCO1)C(=O)CO 240690a_100000131268_100000210174 [1,0,0,1,0,0|2,0,0]=4 2863 B11R1.23 O=C1CN(CCO1)C(=O)CO 527a_100000131268_100000210174 [1,0,0,1,0,0|2,0,0]=4 2864 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [1,0,0,1,0,0|1,0,1]=4 2865 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [1,0,0,1,0,0|0,0,2]=4 2866 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [1,0,0,1,0,0|0,0,2]=4 2867 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [1,0,0,1,0,0|2,0,0]=4 2868 B11R1.121 CCOC1CC(C1)C(=O)OC 34a_100121572206_100009897219 [1,0,0,1,0,0|1,0,1]=4 2869 B11R1.121 CCOC1CC(C1)C(=O)OC 7a_100000076263_100000210202 [1,0,0,1,0,0|1,0,1]=4 2870 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [1,0,0,1,0,0|2,0,0]=4 2871 B11R1.228 CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210202 [1,0,0,1,0,0|1,0,0]=3 2872 B11R1.228 CCC(=O)NC1CCNC1=O 11a_100016995588_100000210414 [1,0,0,1,0,0|2,0,0]=4 2873 B11R1.228 CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210414 [1,0,0,1,0,0|2,0,0]=4 2874 B11R1.228 CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210414 [1,0,0,1,0,0|2,0,0]=4 2875 B11R1.228 CCC(=O)NC1CCNC1=O 527a_100016995588_100000210414 [1,0,0,1,0,0|2,0,0]=4 2876 B11R1.228 CCC(=O)NC1CCSC1=O 11a_100000184058_100000210414 [1,0,0,1,0,0|1,1,0]=4 2877 B11R1.228 CCC(=O)NC1CCSC1=O 1626a_100000184058_100000210414 [1,0,0,1,0,0|1,1,0]=4 2878 B11R1.228 CCC(=O)NC1CCSC1=O 240690a_100000184058_100000210414 [1,0,0,1,0,0|1,1,0]=4 2879 B11R1.228 CCC(=O)NC1CCSC1=O 527a_100000184058_100000210414 [1,0,0,1,0,0|1,1,0]=4 2880 B11R1.228 CNC(=O)CN1CCOC1=O 11a_106832991635_100011227918 [1,0,0,1,0,0|2,0,0]=4 2881 B11R1.228 CNC(=O)CN1CCOC1=O 1626a_100102657272_100011227918 [1,0,0,1,0,0|2,0,0]=4 2882 B11R1.228 CNC(=O)CN1CCOC1=O 240690a_100102657272_100011227918 [1,0,0,1,0,0|2,0,0]=4 2883 B11R1.228 CNC(=O)CN1CCOC1=O 527a_100102657272_100011227918 [1,0,0,1,0,0|2,0,0]=4 2884 B11R1.228 O=C(CF)CN1CCOC1=O 1458a_100011227918_100015361967 [1,0,0,1,0,0|2,0,0]=4 2885 B11R1.524 CCC(=O)COC(=O)C1CC1 1458a_100000210414_100000140896 [1,0,0,1,0,0|2,0,0]=4 2886 B11R1.524 COC(=O)CNC(=O)C1CC1 188690a_100000185156_100000210395 [1,0,0,1,0,0|2,0,0]=4 2887 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [1,0,0,1,0,0|1,0,1]=4 2888 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [1,0,0,1,0,0|1,0,1]=4 2889 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [1,0,0,1,0,0|2,0,0]=4 2890 B11R1.1234 CCOC1(CCC(=O)CC1)C 34a_100012184276_100000210202 [1,0,0,1,0,0|1,0,1]=4 2891 B11R1.1234 CCOC1(CCC(=O)CC1)C 7a_100012184276_100000210202 [1,0,0,1,0,0|1,0,1]=4 2892 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,0,0,1,1,0|2,0,0]=4 2893 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,0,0,1,1,0|2,0,0]=4 2894 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,0,0,1,1,0|2,0,0]=4 2895 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,0,0,1,1,0|1,0,0]=3 2896 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,0,0,1,1,0|2,0,0]=4 2897 B13R1.20 C=COC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000036128 [0,0,0,1,0,1|0,0,2]=4 2898 B13R1.20 CCCC(=O)CN1CCNC(=O)C1 1458a_100025771038_100000210303 [0,0,0,1,0,1|2,0,0]=4 2899 B13R1.20 CCCC(=O)CN1CCNC(=O)C1 2230a_100000184651_100000747444 [0,0,0,1,0,1|2,0,0]=4 2900 B13R1.20 CCCC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747444 [0,0,0,1,0,1|1,0,0]=3 2901 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 11a_100016994916_100000211992 [0,0,0,1,0,1|2,0,0]=4 2902 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000211992 [0,0,0,1,0,1|2,0,0]=4 2903 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000211992 [0,0,0,1,0,1|2,0,0]=4 2904 B13R1.20 CCCC(=O)NC1CCNC(=O)C1 527a_100016994916_100000211992 [0,0,0,1,0,1|2,0,0]=4 2905 B13R1.20 CCNC(=O)CN1CCNC(=O)C1 2230a_100000184651_100000183381 [0,0,0,1,0,1|2,0,0]=4 2906 B13R1.20 CCNC(=O)CN1CCNC(=O)C1 240690a_100015525214_100025771038 [0,0,0,1,0,1|2,0,0]=4 2907 B13R1.20 CCNC(=O)CN1CCNC(=O)C1 527a_100015525214_100025771038 [0,0,0,1,0,1|2,0,0]=4 2908 B13R1.20 CCNC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000183381 [0,0,0,1,0,1|1,0,0]=3 2909 B13R1.20 CCNC(=O)CN1CCOC(=O)C1 240690a_100015525214_100000067460 [0,0,0,1,0,1|1,0,0]=3 2910 B13R1.20 CCNC(=O)CN1CCOC(=O)C1 527a_100015525214_100000067460 [0,0,0,1,0,1|1,0,0]=3 2911 B13R1.20 CCNC(=O)NC1CCNC(=O)C1 2708a_100015525214_100016994916 [0,0,0,1,0,1|2,0,0]=4 2912 B13R1.20 CCNC(=O)NC1CCNC(=O)C1 2708a_100016994916_100015525214 [0,0,0,1,0,1|2,0,0]=4 2913 B13R1.20 CCNC(=O)NC1CCNC(=O)C1 273464a_100015525214_100016994916 [0,0,0,1,0,1|2,0,0]=4 2914 B13R1.20 CCNC(=O)NC1CCNC(=O)C1 273464a_100016994916_100015525214 [0,0,0,1,0,1|2,0,0]=4 2915 B13R1.20 CCNC(=O)NC1CCNC(=O)C1 512a_100015525214_100016994916 [0,0,0,1,0,1|2,0,0]=4 2916 B13R1.20 CCOC(=O)CN1CCC=C(C1)C 2230a_100000725631_100000188475 [0,0,0,1,0,1|2,0,0]=4 2917 B13R1.20 CCOC(=O)CN1CCC=C(C1)C 269982a_100000725631_100000188475 [0,0,0,1,0,1|2,0,0]=4 2918 B13R1.20 CCOC(=O)CN1CCC=C(C1)C 34a_100000725631_100000188475 [0,0,0,1,0,1|2,0,0]=4 2919 B13R1.20 CCOC(=O)CN1CCNC(=O)C1 2230a_100000184651_100000188475 [0,0,0,1,0,1|1,0,0]=3 2920 B13R1.20 CCOC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000188475 [0,0,0,1,0,1|0,0,0]=2 2921 B13R1.20 CCOC(=O)CN1CCOC(C1)C 2230a_100000729577_100000188475 [0,0,0,1,0,1|1,0,1]=4 2922 B13R1.20 CCOC(=O)CN1CCOC(C1)C 269982a_100000729577_100000188475 [0,0,0,1,0,1|1,0,1]=4 2923 B13R1.20 CCOC(=O)CN1CCOC(C1)C 34a_100000729577_100000188475 [0,0,0,1,0,1|1,0,1]=4 2924 B13R1.20 CCOC(=O)CN1CCOC(C1)O 2230a_100000688207_100000188475 [0,0,0,1,0,1|0,0,2]=4 2925 B13R1.20 CCOC(=O)CN1CCOC(C1)O 269982a_100000688207_100000188475 [0,0,0,1,0,1|0,0,2]=4 2926 B13R1.20 CNNC(=O)CN1CCOC(=O)C1 22a_100016993582_100000067460 [0,0,0,1,0,1|2,0,0]=4 2927 B13R1.20 O=C(CN1CCOC(=O)C1)NCO 2230a_100000131268_100000185155 [0,0,0,1,0,1|2,0,0]=4 2928 B13R1.404 CCOC(=O)CCOC1CCCO1 34a_100000085407_100000765890 [0,0,0,1,0,1|1,0,1]=4 2929 B13R1.404 CCOC(=O)CNCC1OCCO1 2230a_100000036311_100000188475 [0,0,0,1,0,1|0,0,2]=4 2930 B13R1.404 CCOC(=O)CNCC1OCCO1 34a_100000036311_100000188475 [0,0,0,1,0,1|0,0,2]=4 2931 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [0,0,0,1,0,1|1,0,1]=4 2932 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [0,0,0,1,0,1|1,0,1]=4 2933 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [0,0,0,1,0,1|1,0,1]=4 2934 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [0,0,0,1,0,1|1,0,1]=4 2935 B13R1.404 CCOC(=O)COCC1OCCO1 34a_100000087154_100000188475 [0,0,0,1,0,1|0,0,2]=4 2936 B13R1.404 CCOC(=O)CSCC1=NCCN1 62a_100000188475_100000737910 [0,0,0,1,0,1|2,0,0]=4 2937 B13R1.404 CCOC(=O)CSCC1=NCCN1 62a_100000737910_100000188475 [0,0,0,1,0,1|2,0,0]=4 2938 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [0,0,0,1,0,1|1,0,1]=4 2939 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [0,0,0,1,0,1|1,0,1]=4 2940 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000188475_100000755774 [0,0,0,1,0,1|0,0,2]=4 2941 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000755774_100000188475 [0,0,0,1,0,1|0,0,2]=4 2942 B13R1.444 C=COC(=O)CSC1CCOC1=O 62a_100000036128_100000211211 [0,0,0,1,0,1|0,0,2]=4 2943 B13R1.444 C=COC(=O)CSC1CCOC1=O 62a_100000211211_100000036128 [0,0,0,1,0,1|0,0,2]=4 2944 B13R1.444 CCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210303 [0,0,0,1,0,1|1,0,0]=3 2945 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000211992_100000742232 [0,0,0,1,0,1|2,0,0]=4 2946 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210303 [0,0,0,1,0,1|2,0,0]=4 2947 B13R1.444 CCCC(=O)CCN1CCNC1=O 1458a_100000211992_100000090651 [0,0,0,1,0,1|2,0,0]=4 2948 B13R1.444 CCCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210303 [0,0,0,1,0,1|1,0,0]=3 2949 B13R1.444 CCCC(=O)CNC1CCNC1=O 2230a_100016995588_100000747444 [0,0,0,1,0,1|2,0,0]=4 2950 B13R1.444 CCCC(=O)CSC1CCCC1=O 62a_100000211823_100000747444 [0,0,0,1,0,1|2,0,0]=4 2951 B13R1.444 CCCC(=O)CSC1CCCC1=O 62a_100000747444_100000211823 [0,0,0,1,0,1|2,0,0]=4 2952 B13R1.444 CCCC(=O)CSC1CCOC1=O 62a_100000211211_100000747444 [0,0,0,1,0,1|1,0,0]=3 2953 B13R1.444 CCCC(=O)CSC1CCOC1=O 62a_100000747444_100000211211 [0,0,0,1,0,1|1,0,0]=3 2954 B13R1.444 CCNC(=O)CCC1CCOC1=O 11a_100015525214_100000117037 [0,0,0,1,0,1|1,0,0]=3 2955 B13R1.444 CCNC(=O)CCC1CCOC1=O 240690a_100015525214_100000117037 [0,0,0,1,0,1|1,0,0]=3 2956 B13R1.444 CCNC(=O)CCC1CCOC1=O 527a_100015525214_100000117037 [0,0,0,1,0,1|1,0,0]=3 2957 B13R1.444 CCNC(=O)CCN1CCCC1=O 11a_100015525214_100000751031 [0,0,0,1,0,1|2,0,0]=4 2958 B13R1.444 CCNC(=O)CCN1CCCC1=O 240690a_100015525214_100000751031 [0,0,0,1,0,1|2,0,0]=4 2959 B13R1.444 CCNC(=O)CCN1CCCC1=O 527a_100015525214_100000751031 [0,0,0,1,0,1|2,0,0]=4 2960 B13R1.444 CCNC(=O)CCN1CCOC1=O 11a_100015525214_100000744634 [0,0,0,1,0,1|1,0,0]=3 2961 B13R1.444 CCNC(=O)CCN1CCOC1=O 240690a_100015525214_100000744634 [0,0,0,1,0,1|1,0,0]=3 2962 B13R1.444 CCNC(=O)CCN1CCOC1=O 527a_100015525214_100000744634 [0,0,0,1,0,1|1,0,0]=3 2963 B13R1.444 CCNC(=O)CNC1CCCC1=O 2230a_100016988866_100000211823 [0,0,0,1,0,1|2,0,0]=4 2964 B13R1.444 CCNC(=O)CNC1CCNC1=O 2230a_100016995588_100000183381 [0,0,0,1,0,1|2,0,0]=4 2965 B13R1.444 CCNC(=O)CNC1CCNC1=O 34a_100016995588_100000183381 [0,0,0,1,0,1|2,0,0]=4 2966 B13R1.444 CCNC(=O)CNC1CCOC1=O 2230a_100016988866_100000211211 [0,0,0,1,0,1|1,0,0]=3 2967 B13R1.444 CCNC(=O)COC1CCCC1=O 34a_200000719330_100000183381 [0,0,0,1,0,1|2,0,0]=4 2968 B13R1.444 CCNC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000183381 [0,0,0,1,0,1|2,0,0]=4 2969 B13R1.444 CCNC(=O)CSC1CCCC1=O 62a_100000183381_100000211823 [0,0,0,1,0,1|2,0,0]=4 2970 B13R1.444 CCNC(=O)CSC1CCCC1=O 62a_100000211823_100000183381 [0,0,0,1,0,1|2,0,0]=4 2971 B13R1.444 CCNC(=O)CSC1CCOC1=O 62a_100000183381_100000211211 [0,0,0,1,0,1|1,0,0]=3 2972 B13R1.444 CCNC(=O)CSC1CCOC1=O 62a_100000211211_100000183381 [0,0,0,1,0,1|1,0,0]=3 2973 B13R1.444 CCOC(=O)CNC1CCNC1=O 2230a_100016995588_100000188475 [0,0,0,1,0,1|1,0,0]=3 2974 B13R1.444 CCOC(=O)CNC1CCNC1=O 34a_100016995588_100000188475 [0,0,0,1,0,1|1,0,0]=3 2975 B13R1.444 CCOC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000188475 [0,0,0,1,0,1|2,0,0]=4 2976 B13R1.444 CCOC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000188475 [0,0,0,1,0,1|2,0,0]=4 2977 B13R1.444 CCOC(=O)COC1CCCC1=O 34a_200000719330_100000188475 [0,0,0,1,0,1|1,0,0]=3 2978 B13R1.444 CCOC(=O)CO[C@H]1CCNC1=O 34a_100000688343_100000188475 [0,0,0,1,0,1|1,0,0]=3 2979 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000188475_100000211823 [0,0,0,1,0,1|1,0,0]=3 2980 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000211823_100000188475 [0,0,0,1,0,1|1,0,0]=3 2981 B13R1.444 CCOC(=O)CSC1CCOC1=O 62a_100000188475_100000211211 [0,0,0,1,0,1|0,0,0]=2 2982 B13R1.444 CCOC(=O)CSC1CCOC1=O 62a_100000211211_100000188475 [0,0,0,1,0,1|0,0,0]=2 2983 B13R1.444 CNNC(=O)CCC1CCOC1=O 22a_100016993582_100000117037 [0,0,0,1,0,1|2,0,0]=4 2984 B13R1.444 CNNC(=O)CCN1CCOC1=O 22a_100016993582_100000744634 [0,0,0,1,0,1|2,0,0]=4 2985 B13R1.444 O=C(CCF)CCC1CCOC1=O 1458a_100000117037_100011217306 [0,0,0,1,0,1|2,0,0]=4 2986 B13R1.444 O=C(CCF)CCN1CCOC1=O 1458a_100000744634_100011217306 [0,0,0,1,0,1|2,0,0]=4 2987 B13R1.444 O=C(CCO)CCC1CCOC1=O 1458a_100000117037_100000211926 [0,0,0,1,0,1|2,0,0]=4 2988 B13R1.444 O=C(CCO)CCN1CCOC1=O 1458a_100000744634_100000211926 [0,0,0,1,0,1|2,0,0]=4 2989 B13R1.444 O=C(CSC1CCOC1=O)NCO 62a_100000185155_100000211211 [0,0,0,1,0,1|2,0,0]=4 2990 B13R1.444 O=C(CSC1CCOC1=O)NCO 62a_100000211211_100000185155 [0,0,0,1,0,1|2,0,0]=4 2991 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 11a_100000698595_100000211992 [0,0,0,1,0,1|2,0,0]=4 2992 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 1626a_100000698595_100000211992 [0,0,0,1,0,1|2,0,0]=4 2993 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 240690a_100000698595_100000211992 [0,0,0,1,0,1|2,0,0]=4 2994 B13R1.1463 CCCC(=O)N1CCNC(=O)CC1 527a_100000698595_100000211992 [0,0,0,1,0,1|2,0,0]=4 2995 B13R1.1463 CCNC(=O)N1CCNC(=O)CC1 2708a_100015525214_100000698595 [0,0,0,1,0,1|2,0,0]=4 2996 B13R1.1463 CCNC(=O)N1CCNC(=O)CC1 273464a_100015525214_100000698595 [0,0,0,1,0,1|2,0,0]=4 2997 B13R1.1496 CCCC(=O)CSCC(=O)C1CC1 62a_100000746382_100000747444 [0,0,0,1,0,1|2,0,0]=4 2998 B13R1.1496 CCCC(=O)CSCC(=O)C1CC1 62a_100000747444_100000746382 [0,0,0,1,0,1|2,0,0]=4 2999 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 11a_100025743525_100000210395 [0,0,0,1,0,1|2,0,0]=4 3000 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 1626a_100025743525_100000210395 [0,0,0,1,0,1|2,0,0]=4 3001 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 240690a_100025743525_100000210395 [0,0,0,1,0,1|2,0,0]=4 3002 B13R1.1496 CCNC(=O)CCNC(=O)C1CC1 527a_100025743525_100000210395 [0,0,0,1,0,1|2,0,0]=4 3003 B13R1.1496 CCNC(=O)CNCC(=O)C1CC1 2230a_100016988866_100000746382 [0,0,0,1,0,1|2,0,0]=4 3004 B13R1.1496 CCNC(=O)COCC(=O)C1CC1 34a_100000686663_100000183381 [0,0,0,1,0,1|2,0,0]=4 3005 B13R1.1496 CCNC(=O)CSCC(=O)C1CC1 62a_100000183381_100000746382 [0,0,0,1,0,1|2,0,0]=4 3006 B13R1.1496 CCNC(=O)CSCC(=O)C1CC1 62a_100000746382_100000183381 [0,0,0,1,0,1|2,0,0]=4 3007 B13R1.1496 CCOC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215271 [0,0,0,1,0,1|1,0,0]=3 3008 B13R1.1496 CCOC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011215271 [0,0,0,1,0,1|2,0,0]=4 3009 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 188690a_100000746078_100000210395 [0,0,0,1,0,1|1,0,0]=3 3010 B13R1.1496 CCOC(=O)CCNC(=O)C1CO1 188690a_100000746078_100000701028 [0,0,0,1,0,1|2,0,0]=4 3011 B13R1.1496 CCOC(=O)COCC(=O)C1CC1 34a_100000686663_100000188475 [0,0,0,1,0,1|1,0,0]=3 3012 B13R1.1496 CCOC(=O)CSCC(=O)C1CC1 62a_100000188475_100000746382 [0,0,0,1,0,1|1,0,0]=3 3013 B13R1.1496 CCOC(=O)CSCC(=O)C1CC1 62a_100000746382_100000188475 [0,0,0,1,0,1|1,0,0]=3 3014 B13R1.1496 CCOC(=O)NCCC(=O)C1CC1 1458a_100000210395_200011445536 [0,0,0,1,0,1|1,0,0]=3 3015 B13R1.1496 CCOC(=O)NCCC(=O)C1CO1 1458a_100000701028_200011445536 [0,0,0,1,0,1|2,0,0]=4 3016 B13R1.1515 CCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210303 [0,0,0,1,0,1|1,0,0]=3 3017 B13R1.1515 CCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 11a_100015525214_100009818562 [0,0,0,1,0,1|1,0,0]=3 3018 B13R1.1515 CCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 240690a_100015525214_100009818562 [0,0,0,1,0,1|1,0,0]=3 3019 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCF 1458a_100009818562_100011217306 [0,0,0,1,0,1|2,0,0]=4 3020 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCO 1458a_100009818562_100000211926 [0,0,0,1,0,1|2,0,0]=4 3021 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC 22a_100016993582_100009818562 [0,0,0,1,0,1|2,0,0]=4 3022 B13R1.4034 CCOC(=O)CC1CC(C1)OCC 7a_100010742785_100000210202 [0,0,0,1,0,1|1,0,1]=4 3023 B13R1.4034 CCOC(=O)CN1CC(C1)OCC 269982a_100000732654_100000188475 [0,0,0,1,0,1|1,0,1]=4 3024 B13R1.4034 CCOC(=O)CN1CC(C1)OCC 34a_100000732654_100000188475 [0,0,0,1,0,1|1,0,1]=4 3025 B13R1.458 CCCC(=O)C1CC(=O)N(C1)CC 1458a_100000215766_100000210303 [0,1,0,1,0,0|2,0,0]=4 3026 B13R1.458 CCNC(=O)C1CC(=O)N(C1)CC 11a_100015525214_100000215766 [0,1,0,1,0,0|2,0,0]=4 3027 B13R1.458 CCNC(=O)C1CC(=O)N(C1)CC 240690a_100015525214_100000215766 [0,1,0,1,0,0|2,0,0]=4 3028 B13R1.458 CCNC(=O)C1CC(=O)N(C1)CC 527a_100015525214_100000215766 [0,1,0,1,0,0|2,0,0]=4 3029 B13R1.470 CCCC(=O)CN1CCOCC1=O 1458a_100000722046_100000210303 [0,1,0,1,0,0|2,0,0]=4 3030 B13R1.470 CCNC(=O)CN1CCOCC1=O 11a_100015525214_100000722046 [0,1,0,1,0,0|2,0,0]=4 3031 B13R1.470 CCNC(=O)CN1CCOCC1=O 240690a_100015525214_100000722046 [0,1,0,1,0,0|2,0,0]=4 3032 B13R1.470 CCNC(=O)CN1CCOCC1=O 527a_100015525214_100000722046 [0,1,0,1,0,0|2,0,0]=4 3033 B13R1.1494 CCOC(=O)[C@@H](C)NC(=O)C1CC1 188690a_100016988386_100000210395 [0,1,0,1,0,0|2,0,0]=4 3034 B13R1.1495 CCOC(=O)CC(C)C(=O)C1CC1 1458a_100000210395_100009817359 [0,1,0,1,0,0|1,0,0]=3 3035 B13R1.1495 CCOC(=O)CC(C)C(=O)C1CO1 1458a_100000701028_100009817359 [0,1,0,1,0,0|2,0,0]=4 3036 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 11a_100000220588_100000210395 [0,1,0,1,0,0|2,0,0]=4 3037 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 1626a_100000220588_100000210395 [0,1,0,1,0,0|2,0,0]=4 3038 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 240690a_100000220588_100000210395 [0,1,0,1,0,0|2,0,0]=4 3039 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 527a_100000220588_100000210395 [0,1,0,1,0,0|2,0,0]=4 3040 B13R1.2909 CCNC(=O)C(=O)C1CCOC1=O 1458a_200011297158_100000211211 [0,1,0,1,0,0|1,0,1]=4 3041 B13R1.41 CCOC(=O)CCc1nc(no1)C 270196a_100000212224_100000183558 [0,1,0,1,0,0|1,0,1]=4 3042 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [0,1,0,1,0,0|2,0,0]=4 3043 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [0,1,0,1,0,0|2,0,0]=4 3044 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [0,1,0,1,0,0|2,0,0]=4 3045 B13R1.22 CCC(C)C(=O)C1CCNC(=O)C1 1458a_100000132800_100000758301 [0,1,0,1,0,0|2,0,0]=4 3046 B13R1.22 CCC(C)C(=O)N1CCOC(=O)C1 11a_100000131268_100011192722 [0,1,0,1,0,0|2,0,0]=4 3047 B13R1.22 CCC(C)C(=O)N1CCOC(=O)C1 240690a_100000131268_100011192722 [0,1,0,1,0,0|2,0,0]=4 3048 B13R1.22 CCC(C)C(=O)N1CCOC(=O)C1 527a_100000131268_100011192722 [0,1,0,1,0,0|2,0,0]=4 3049 B13R1.22 CCC(O)C(=O)N1CCOC(=O)C1 240690a_100000131268_100011196387 [0,1,0,1,0,0|2,0,0]=4 3050 B13R1.22 CCN(C)C(=O)C1CCNC(=O)C1 11a_100000225621_100000132800 [0,1,0,1,0,0|2,0,0]=4 3051 B13R1.22 CCN(C)C(=O)C1CCNC(=O)C1 1626a_100000225621_100000132800 [0,1,0,1,0,0|2,0,0]=4 3052 B13R1.22 CCN(C)C(=O)C1CCNC(=O)C1 240690a_100000225621_100000132800 [0,1,0,1,0,0|2,0,0]=4 3053 B13R1.22 CCN(C)C(=O)C1CCNC(=O)C1 527a_100000225621_100000132800 [0,1,0,1,0,0|2,0,0]=4 3054 B13R1.466 CCCC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_100000210303 [0,1,0,1,0,0|2,0,0]=4 3055 B13R1.466 CCNC(=O)C1CCN(C(=O)C1)C 11a_100015525214_100000043916 [0,1,0,1,0,0|2,0,0]=4 3056 B13R1.466 CCNC(=O)C1CCN(C(=O)C1)C 240690a_100015525214_100000043916 [0,1,0,1,0,0|2,0,0]=4 3057 B13R1.466 CCNC(=O)C1CCN(C(=O)C1)C 527a_100015525214_100000043916 [0,1,0,1,0,0|2,0,0]=4 3058 B13R1.704 CCC(C)C(=O)CN1CCOC1=O 1458a_100011227918_100000758301 [0,1,0,1,0,0|2,0,0]=4 3059 B13R1.704 CCN(C)C(=O)CN1CCOC1=O 11a_100000225621_100011227918 [0,1,0,1,0,0|2,0,0]=4 3060 B13R1.704 CCN(C)C(=O)CN1CCOC1=O 1626a_100000225621_100011227918 [0,1,0,1,0,0|2,0,0]=4 3061 B13R1.704 CCN(C)C(=O)CN1CCOC1=O 240690a_100000225621_100011227918 [0,1,0,1,0,0|2,0,0]=4 3062 B13R1.704 CCN(C)C(=O)CN1CCOC1=O 527a_100000225621_100011227918 [0,1,0,1,0,0|2,0,0]=4 3063 B13R1.3130 CCCC(=O)OCC(=O)C1CCO1 1458a_100000089072_100000034017 [0,1,0,1,0,0|2,0,0]=4 3064 B13R1.3130 CCNC(=O)CCC(=O)C1CCC1 1458a_100000199579_100000749161 [0,1,0,1,0,0|2,0,0]=4 3065 B13R1.3130 CCNC(=O)CCC(=O)C1COC1 1458a_100000199579_100000687716 [0,1,0,1,0,0|2,0,0]=4 3066 B13R1.3130 CCNC(=O)CCC(=O)N1CCC1 11a_100000754969_100000199579 [0,1,0,1,0,0|2,0,0]=4 3067 B13R1.3130 CCNC(=O)CCC(=O)N1CCC1 240690a_100000754969_100000199579 [0,1,0,1,0,0|2,0,0]=4 3068 B13R1.3130 CCNC(=O)CNC(=O)C1CCO1 11a_100016988866_100000089072 [0,1,0,1,0,0|2,0,0]=4 3069 B13R1.3130 CCNC(=O)CNC(=O)C1CCO1 1626a_100016988866_100000089072 [0,1,0,1,0,0|2,0,0]=4 3070 B13R1.3130 CCNC(=O)CNC(=O)C1CCO1 240690a_100016988866_100000089072 [0,1,0,1,0,0|2,0,0]=4 3071 B13R1.3130 CCNC(=O)CNC(=O)C1CCO1 527a_100016988866_100000089072 [0,1,0,1,0,0|2,0,0]=4 3072 B13R1.3130 CCOC(=O)CCC(=O)C1CCC1 1458a_100000183558_100000749161 [0,1,0,1,0,0|1,0,0]=3 3073 B13R1.3130 CCOC(=O)CCC(=O)C1COC1 1458a_100000183558_100000687716 [0,1,0,1,0,0|1,0,0]=3 3074 B13R1.3130 CCOC(=O)CCC(=O)N1CCC1 11a_100000754969_100000183558 [0,1,0,1,0,0|1,0,0]=3 3075 B13R1.3130 CCOC(=O)CCC(=O)N1CCC1 240690a_100000754969_100000183558 [0,1,0,1,0,0|1,0,0]=3 3076 B13R1.3130 CCOC(=O)CNC(=O)C1CCC1 188690a_100000741813_100000209988 [0,1,0,1,0,0|2,0,0]=4 3077 B13R1.3130 CCOC(=O)CNC(=O)C1CCO1 188690a_100000741813_100000089072 [0,1,0,1,0,0|1,0,0]=3 3078 B13R1.3130 CCOC(=O)CNC(=O)C1COC1 188690a_100000741813_100000758290 [0,1,0,1,0,0|2,0,0]=4 3079 B13R1.3130 CCOC(=O)NCC(=O)C1CCC1 1458a_100000190774_100000749161 [0,1,0,1,0,0|2,0,0]=4 3080 B13R1.3130 CCOC(=O)NCC(=O)C1COC1 1458a_100000190774_100000687716 [0,1,0,1,0,0|2,0,0]=4 3081 B13R1.3130 CCOC(=O)NCC(=O)N1CCC1 11a_100000754969_100000190774 [0,1,0,1,0,0|2,0,0]=4 3082 B13R1.3130 CCOC(=O)NCC(=O)N1CCC1 240690a_100000754969_100000190774 [0,1,0,1,0,0|2,0,0]=4 3083 B13R1.3130 CCOC(=O)NCC(=O)N1CCC1 527a_100000754969_100000190774 [0,1,0,1,0,0|2,0,0]=4 3084 B13R1.3131 CCOC(=O)CNC(=O)C1(CC1)C 188690a_100000741813_100000756474 [0,1,0,1,0,0|2,0,0]=4 3085 B13R1.3131 CCOC(=O)CNC(=O)C1(CC1)F 188690a_100000741813_100000055089 [0,1,0,1,0,0|2,0,0]=4 3086 B13R1.3131 CCOC(=O)CNC(=O)C1(CC1)O 188690a_100000741813_100000241761 [0,1,0,1,0,0|2,0,0]=4 3087 B13R1.5541 CCOC(=O)CNC(=O)C1CC1C 188690a_100000741813_100000211227 [0,1,0,1,0,0|2,0,0]=4 3088 B13R1.5541 CCOC(=O)CNC(=O)[C@@H]1C[C@@H]1F 188690a_100000741813_100015396687 [0,1,0,1,0,0|2,0,0]=4 3089 B13R1.18 CCC=CC(=O)N1CCOC(=O)C1 11a_100000131268_100000212282 [0,1,0,1,0,0|2,0,0]=4 3090 B13R1.18 CCC=CC(=O)N1CCOC(=O)C1 240690a_100000131268_100000212282 [0,1,0,1,0,0|2,0,0]=4 3091 B13R1.18 CCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210211 [0,1,0,1,0,0|2,0,0]=4 3092 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210183 [0,1,0,1,0,0|2,0,0]=4 3093 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210183 [0,1,0,1,0,0|2,0,0]=4 3094 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210183 [0,1,0,1,0,0|2,0,0]=4 3095 B13R1.18 CCCNC(=O)C1CCNC(=O)C1 11a_100020643023_100000132800 [0,1,0,1,0,0|2,0,0]=4 3096 B13R1.18 CCCNC(=O)C1CCNC(=O)C1 1626a_100020643023_100000132800 [0,1,0,1,0,0|2,0,0]=4 3097 B13R1.18 CCCNC(=O)C1CCNC(=O)C1 240690a_100020643023_100000132800 [0,1,0,1,0,0|2,0,0]=4 3098 B13R1.18 CCCNC(=O)C1CCNC(=O)C1 527a_100020643023_100000132800 [0,1,0,1,0,0|2,0,0]=4 3099 B13R1.18 CCCNC(=O)N1CCOC(=O)C1 2708a_100020643023_100000131268 [0,1,0,1,0,0|2,0,0]=4 3100 B13R1.18 CCNNC(=O)C1CCNC(=O)C1 22a_100000756455_100000132800 [0,1,0,1,0,0|2,0,0]=4 3101 B13R1.18 CCOCC(=O)N1CCNC(=O)C1 11a_100000184651_100000211967 [0,1,0,1,0,0|2,0,0]=4 3102 B13R1.18 CCOCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000211967 [0,1,0,1,0,0|2,0,0]=4 3103 B13R1.18 CCOCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000211967 [0,1,0,1,0,0|2,0,0]=4 3104 B13R1.18 CCOCC(=O)N1CCNC(=O)C1 527a_100000184651_100000211967 [0,1,0,1,0,0|2,0,0]=4 3105 B13R1.18 CCOCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211967 [0,1,0,1,0,0|1,0,0]=3 3106 B13R1.18 CCOCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211967 [0,1,0,1,0,0|1,0,0]=3 3107 B13R1.18 CCOCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211967 [0,1,0,1,0,0|1,0,0]=3 3108 B13R1.18 CCSCC(=O)N1CCOC(=O)C1 11a_100000131268_100000230394 [0,1,0,1,0,0|1,1,0]=4 3109 B13R1.18 CCSCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000230394 [0,1,0,1,0,0|1,1,0]=4 3110 B13R1.18 CCSCC(=O)N1CCOC(=O)C1 527a_100000131268_100000230394 [0,1,0,1,0,0|1,1,0]=4 3111 B13R1.18 COCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000233755 [0,1,0,1,0,0|2,0,0]=4 3112 B13R1.18 COCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000749529 [0,1,0,1,0,0|2,0,0]=4 3113 B13R1.18 COCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000749529 [0,1,0,1,0,0|2,0,0]=4 3114 B13R1.18 COCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000749529 [0,1,0,1,0,0|2,0,0]=4 3115 B13R1.18 CSCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000751147 [0,1,0,1,0,0|2,0,0]=4 3116 B13R1.18 CSCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000174002 [0,1,0,1,0,0|2,0,0]=4 3117 B13R1.18 CSCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000174002 [0,1,0,1,0,0|2,0,0]=4 3118 B13R1.18 CSCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000174002 [0,1,0,1,0,0|2,0,0]=4 3119 B13R1.18 O=C1CC(CCN1)C(=O)CCCF 1458a_100000132800_100011934791 [0,1,0,1,0,0|2,0,0]=4 3120 B13R1.18 O=C1CC(CCN1)C(=O)CCCO 1458a_100000132800_100011215043 [0,1,0,1,0,0|2,0,0]=4 3121 B13R1.18 O=C1CC(CCN1)C(=O)NCCF 11a_100000724931_100000132800 [0,1,0,1,0,0|2,0,0]=4 3122 B13R1.18 O=C1CC(CCN1)C(=O)NCCF 1626a_100000724931_100000132800 [0,1,0,1,0,0|2,0,0]=4 3123 B13R1.18 O=C1CC(CCN1)C(=O)NCCF 240690a_100000724931_100000132800 [0,1,0,1,0,0|2,0,0]=4 3124 B13R1.18 O=C1CC(CCN1)C(=O)NCCF 527a_100000724931_100000132800 [0,1,0,1,0,0|2,0,0]=4 3125 B13R1.18 O=C1CC(CCN1)C(=O)NCCO 240690a_100000210304_100000132800 [0,1,0,1,0,0|2,0,0]=4 3126 B13R1.18 O=C1CC(CCN1)C(=O)NCCO 527a_100000210304_100000132800 [0,1,0,1,0,0|2,0,0]=4 3127 B13R1.153 CCOCC(=O)CCC1OCCO1 1458a_100000211967_100000740749 [0,1,0,1,0,0|0,0,2]=4 3128 B13R1.494 CCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210303 [0,1,0,1,0,0|1,0,1]=4 3129 B13R1.494 CCNN=C1CC(C1)C(=O)OCC 4a_100000756455_100000094141 [0,1,0,1,0,0|2,0,0]=4 3130 B13R1.494 CCOC(=O)C1CC(C1)OCCF 7a_100000093532_100011217306 [0,1,0,1,0,0|1,0,1]=4 3131 B13R1.494 CCOC(=O)C1CC(C1)OCCO 7a_100000093532_100000211926 [0,1,0,1,0,0|1,0,1]=4 3132 B13R1.494 CCOCN1CC(C1)C(=O)OCC 269982a_100015188541_100000739092 [0,1,0,1,0,0|2,0,0]=4 3133 B13R1.686 CCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210211 [0,1,0,1,0,0|2,0,0]=4 3134 B13R1.686 CCCNC(=O)CN1CCOC1=O 11a_100020643023_100011227918 [0,1,0,1,0,0|2,0,0]=4 3135 B13R1.686 CCCNC(=O)CN1CCOC1=O 1626a_100020643023_100011227918 [0,1,0,1,0,0|2,0,0]=4 3136 B13R1.686 CCCNC(=O)CN1CCOC1=O 240690a_100020643023_100011227918 [0,1,0,1,0,0|2,0,0]=4 3137 B13R1.686 CCCNC(=O)CN1CCOC1=O 527a_100020643023_100011227918 [0,1,0,1,0,0|2,0,0]=4 3138 B13R1.686 CCNNC(=O)CN1CCOC1=O 22a_100000756455_100011227918 [0,1,0,1,0,0|2,0,0]=4 3139 B13R1.686 CCOCC(=O)NC1CCNC1=O 11a_100016995588_100000211967 [0,1,0,1,0,0|2,0,0]=4 3140 B13R1.686 CCOCC(=O)NC1CCNC1=O 1626a_100016995588_100000211967 [0,1,0,1,0,0|2,0,0]=4 3141 B13R1.686 CCOCC(=O)NC1CCNC1=O 240690a_100016995588_100000211967 [0,1,0,1,0,0|2,0,0]=4 3142 B13R1.686 CCOCC(=O)NC1CCNC1=O 527a_100016995588_100000211967 [0,1,0,1,0,0|2,0,0]=4 3143 B13R1.686 CCOCC(=O)NC1CCSC1=O 11a_100000184058_100000211967 [0,1,0,1,0,0|1,1,0]=4 3144 B13R1.686 CCOCC(=O)NC1CCSC1=O 1626a_100000184058_100000211967 [0,1,0,1,0,0|1,1,0]=4 3145 B13R1.686 CCOCC(=O)NC1CCSC1=O 240690a_100000184058_100000211967 [0,1,0,1,0,0|1,1,0]=4 3146 B13R1.686 CCOCC(=O)NC1CCSC1=O 527a_100000184058_100000211967 [0,1,0,1,0,0|1,1,0]=4 3147 B13R1.686 COCCC(=O)CN1CCOC1=O 1458a_100011227918_100000233755 [0,1,0,1,0,0|2,0,0]=4 3148 B13R1.686 CSCCC(=O)CN1CCOC1=O 1458a_100011227918_100000751147 [0,1,0,1,0,0|2,0,0]=4 3149 B13R1.686 O=C(CCCF)CN1CCOC1=O 1458a_100011227918_100011934791 [0,1,0,1,0,0|2,0,0]=4 3150 B13R1.686 O=C(CCCO)CN1CCOC1=O 1458a_100011227918_100011215043 [0,1,0,1,0,0|2,0,0]=4 3151 B13R1.686 O=C(CN1CCOC1=O)NCCF 11a_100000724931_100011227918 [0,1,0,1,0,0|2,0,0]=4 3152 B13R1.686 O=C(CN1CCOC1=O)NCCF 1626a_100000724931_100011227918 [0,1,0,1,0,0|2,0,0]=4 3153 B13R1.686 O=C(CN1CCOC1=O)NCCF 240690a_100000724931_100011227918 [0,1,0,1,0,0|2,0,0]=4 3154 B13R1.686 O=C(CN1CCOC1=O)NCCF 527a_100000724931_100011227918 [0,1,0,1,0,0|2,0,0]=4 3155 B13R1.686 O=C(CN1CCOC1=O)NCCO 240690a_100000210304_100011227918 [0,1,0,1,0,0|2,0,0]=4 3156 B13R1.686 O=C(CN1CCOC1=O)NCCO 527a_100000210304_100011227918 [0,1,0,1,0,0|2,0,0]=4 3157 B13R1.1309 CCCOC(=O)OCC(=O)C1CC1 1458a_100000210395_200000139673 [0,1,0,1,0,0|2,0,0]=4 3158 B13R1.1309 CCOCC(=O)COC(=O)C1CC1 1458a_100000211967_100000140896 [0,1,0,1,0,0|2,0,0]=4 3159 B13R1.3132 CCNC(=O)CCC(=O)CC1CC1 1458a_100000199579_100000742324 [0,1,0,1,0,0|2,0,0]=4 3160 B13R1.3132 CCNC(=O)CCC(=O)CC1CO1 1458a_100000199579_100011216344 [0,1,0,1,0,0|2,0,0]=4 3161 B13R1.3132 CCNC(=O)CCC(=O)CC1CS1 1458a_100000199579_100000031435 [0,1,0,1,0,0|2,0,0]=4 3162 B13R1.3132 CCNC(=O)CCC(=O)C[C@@H]1CO1 1458a_100000199579_100000745022 [0,1,0,1,0,0|2,0,0]=4 3163 B13R1.3132 CCNC(=O)CCC(=O)NC1CC1 1626a_100000212008_100000199579 [0,1,0,1,0,0|2,0,0]=4 3164 B13R1.3132 CCNC(=O)CCC(=O)NC1CC1 240690a_100000212008_100000199579 [0,1,0,1,0,0|2,0,0]=4 3165 B13R1.3132 CCOC(=O)CCC(=O)CC1CC1 1458a_100000183558_100000742324 [0,1,0,1,0,0|1,0,0]=3 3166 B13R1.3132 CCOC(=O)CCC(=O)CC1CO1 1458a_100000183558_100011216344 [0,1,0,1,0,0|1,0,0]=3 3167 B13R1.3132 CCOC(=O)CCC(=O)CC1CS1 1458a_100000183558_100000031435 [0,1,0,1,0,0|1,0,0]=3 3168 B13R1.3132 CCOC(=O)CCC(=O)C[C@@H]1CO1 1458a_100000183558_100000745022 [0,1,0,1,0,0|1,0,0]=3 3169 B13R1.3132 CCOC(=O)CCC(=O)NC1CC1 1626a_100000212008_100000183558 [0,1,0,1,0,0|1,0,0]=3 3170 B13R1.3132 CCOC(=O)CCC(=O)NC1CC1 240690a_100000212008_100000183558 [0,1,0,1,0,0|1,0,0]=3 3171 B13R1.3132 CCOC(=O)CNC(=O)CC1CC1 188690a_100000741813_100000738066 [0,1,0,1,0,0|2,0,0]=4 3172 B13R1.3132 CCOC(=O)NCC(=O)CC1CC1 1458a_100000190774_100000742324 [0,1,0,1,0,0|2,0,0]=4 3173 B13R1.3132 CCOC(=O)NCC(=O)CC1CO1 1458a_100000190774_100011216344 [0,1,0,1,0,0|2,0,0]=4 3174 B13R1.3132 CCOC(=O)NCC(=O)CC1CS1 1458a_100000190774_100000031435 [0,1,0,1,0,0|2,0,0]=4 3175 B13R1.3132 CCOC(=O)NCC(=O)C[C@@H]1CO1 1458a_100000190774_100000745022 [0,1,0,1,0,0|2,0,0]=4 3176 B13R1.3132 CCOC(=O)NCC(=O)NC1CC1 1626a_100000212008_100000190774 [0,1,0,1,0,0|2,0,0]=4 3177 B13R1.3132 CCOC(=O)NCC(=O)NC1CC1 240690a_100000212008_100000190774 [0,1,0,1,0,0|2,0,0]=4 3178 B13R1.3132 CCOC(=O)NCC(=O)NC1CC1 527a_100000212008_100000190774 [0,1,0,1,0,0|2,0,0]=4 3179 B13R1.147 CC(C)CC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210624 [0,1,0,1,0,0|2,0,0]=4 3180 B13R1.147 CC(C)CC(=O)N1CCOC(=O)C1 11a_100000131268_100000210554 [0,1,0,1,0,0|2,0,0]=4 3181 B13R1.147 CC(C)CC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210554 [0,1,0,1,0,0|2,0,0]=4 3182 B13R1.147 CC(C)CC(=O)N1CCOC(=O)C1 527a_100000131268_100000210554 [0,1,0,1,0,0|2,0,0]=4 3183 B13R1.147 CC(C)NC(=O)C1CCNC(=O)C1 11a_100138425928_100000132800 [0,1,0,1,0,0|2,0,0]=4 3184 B13R1.147 CC(C)NC(=O)C1CCNC(=O)C1 1626a_100138425928_100000132800 [0,1,0,1,0,0|2,0,0]=4 3185 B13R1.147 CC(C)NC(=O)C1CCNC(=O)C1 240690a_100138425928_100000132800 [0,1,0,1,0,0|2,0,0]=4 3186 B13R1.147 CC(C)NC(=O)C1CCNC(=O)C1 527a_100138425928_100000132800 [0,1,0,1,0,0|2,0,0]=4 3187 B13R1.147 CC(C)NC(=O)N1CCOC(=O)C1 2708a_100138425928_100000131268 [0,1,0,1,0,0|2,0,0]=4 3188 B13R1.147 CC(O)CC(=O)C1CCNC(=O)C1 1458a_100000132800_100011218427 [0,1,0,1,0,0|2,0,0]=4 3189 B13R1.147 C[C@@H](O)CC(=O)N1CCOC(=O)C1 240690a_100000131268_100011933948 [0,1,0,1,0,0|2,0,0]=4 3190 B13R1.282 CC(C)CC(=O)CN1CCOC1=O 1458a_100011227918_100000210624 [0,1,0,1,0,0|2,0,0]=4 3191 B13R1.282 CC(C)NC(=O)CN1CCOC1=O 11a_100138425928_100011227918 [0,1,0,1,0,0|2,0,0]=4 3192 B13R1.282 CC(C)NC(=O)CN1CCOC1=O 1626a_100138425928_100011227918 [0,1,0,1,0,0|2,0,0]=4 3193 B13R1.282 CC(C)NC(=O)CN1CCOC1=O 240690a_100138425928_100011227918 [0,1,0,1,0,0|2,0,0]=4 3194 B13R1.282 CC(C)NC(=O)CN1CCOC1=O 527a_100138425928_100011227918 [0,1,0,1,0,0|2,0,0]=4 3195 B13R1.282 CC(O)CC(=O)CN1CCOC1=O 1458a_100011227918_100011218427 [0,1,0,1,0,0|2,0,0]=4 3196 B13R1.1099 CC(C)NC(=O)CCC(=O)C1CC1 1458a_100000210395_100000737564 [0,1,0,1,0,0|2,0,0]=4 3197 B13R1.1099 CC(C)OC(=O)CCC(=O)C1CC1 1458a_100000210395_100000760027 [0,1,0,1,0,0|1,0,0]=3 3198 B13R1.1099 CC(C)OC(=O)CCC(=O)C1CO1 1458a_100000701028_100000760027 [0,1,0,1,0,0|2,0,0]=4 3199 B13R1.1099 CC(C)OC(=O)OCC(=O)C1CC1 1458a_100000210395_100000003507 [0,1,0,1,0,0|2,0,0]=4 3200 B13R1.1468 CCOC(=O)C1CC(C1)OC(C)C 7a_100000093532_100000210206 [0,1,0,1,0,0|1,0,1]=4 3201 B13R1.4508 CC1(OC(=O)CC1C(=O)CCF)C 1458a_100000034619_100011217306 [0,1,0,1,0,0|2,0,0]=4 3202 B13R1.4508 CC1(OC(=O)CC1C(=O)CCO)C 1458a_100000034619_100000211926 [0,1,0,1,0,0|2,0,0]=4 3203 B13R1.4508 CCCC(=O)C1CC(=O)OC1(C)C 1458a_100000034619_100000210303 [0,1,0,1,0,0|1,0,0]=3 3204 B13R1.4508 CCNC(=O)C1CC(=O)OC1(C)C 11a_100015525214_100000034619 [0,1,0,1,0,0|1,0,0]=3 3205 B13R1.4508 CCNC(=O)C1CC(=O)OC1(C)C 240690a_100015525214_100000034619 [0,1,0,1,0,0|1,0,0]=3 3206 B13R1.4508 CCNC(=O)C1CC(=O)OC1(C)C 527a_100015525214_100000034619 [0,1,0,1,0,0|1,0,0]=3 3207 B13R1.4508 CNNC(=O)C1CC(=O)OC1(C)C 22a_100016993582_100000034619 [0,1,0,1,0,0|2,0,0]=4 3208 B13R2.5324 O=C1CN(CCO1)C(=O)C2CC2 11a_100000131268_100000210395 [0,0,0,2,0,0|2,0,0]=4 3209 B13R2.5324 O=C1CN(CCO1)C(=O)C2CC2 240690a_100000131268_100000210395 [0,0,0,2,0,0|2,0,0]=4 3210 B13R2.5324 O=C1CN(CCO1)C(=O)C2CC2 527a_100000131268_100000210395 [0,0,0,2,0,0|2,0,0]=4 3211 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [1,0,0,0,1,0|0,0,2]=4 3212 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,0,0,0,1,0|2,0,0]=4 3213 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [1,0,0,0,1,0|0,0,2]=4 3214 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [1,0,0,0,1,0|0,0,2]=4 3215 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [1,0,0,0,1,0|1,0,1]=4 3216 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [1,0,0,0,1,0|1,0,1]=4 3217 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [1,0,0,0,1,0|1,0,1]=4 3218 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [1,0,0,0,1,0|1,0,1]=4 3219 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [1,0,0,0,1,0|2,0,0]=4 3220 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [1,0,0,0,1,0|2,0,0]=4 3221 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [1,0,0,0,1,0|2,0,0]=4 3222 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [1,0,0,0,1,0|2,0,0]=4 3223 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,0,0,0,1,0|1,0,0]=3 3224 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,0,0,0,1,0|1,0,0]=3 3225 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,0,0,0,1,0|2,0,0]=4 3226 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,0,0,0,1,0|2,0,0]=4 3227 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,0,0,0,1,0|1,0,0]=3 3228 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,0,0,0,1,0|1,0,0]=3 3229 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,0,0,0,1,0|2,0,0]=4 3230 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,0,0,0,1,0|1,0,0]=3 3231 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [1,0,0,0,1,0|2,0,0]=4 3232 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [1,0,0,0,1,0|1,0,0]=3 3233 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,0,0,0,1,0|0,0,0]=2 3234 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,0,0,0,1,0|0,0,0]=2 3235 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,0,0,0,1,0|1,0,0]=3 3236 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,0,0,0,1,0|1,0,0]=3 3237 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,0,0,0,1,0|1,0,0]=3 3238 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,0,0,0,1,0|2,0,0]=4 3239 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,0,0,0,1,0|2,0,0]=4 3240 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,0,0,0,1,0|2,0,0]=4 3241 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,0,0,0,1,0|2,0,0]=4 3242 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,0,0,0,1,0|2,0,0]=4 3243 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,0,0,0,1,0|2,0,0]=4 3244 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,0,0,0,1,0|2,0,0]=4 3245 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,0,0,0,1,0|1,0,1]=4 3246 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,0,0,0,1,0|1,0,1]=4 3247 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [1,0,0,0,1,0|1,0,1]=4 3248 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [1,0,0,0,1,0|2,0,0]=4 3249 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [1,0,0,0,1,0|2,0,0]=4 3250 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [1,0,0,0,1,0|2,0,0]=4 3251 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [1,0,0,0,1,0|2,0,0]=4 3252 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [1,0,0,0,1,0|2,0,0]=4 3253 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [1,0,0,0,1,0|2,0,0]=4 3254 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [1,0,0,0,1,0|2,0,0]=4 3255 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [1,0,0,0,1,0|2,0,0]=4 3256 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [1,0,0,0,1,0|2,0,0]=4 3257 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [1,0,0,0,1,0|2,0,0]=4 3258 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,0,0,0,2,0|2,0,0]=4 3259 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,0,0,0,2,0|2,0,0]=4 3260 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,0,0,0,2,0|2,0,0]=4 3261 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,0,0,0,2,0|1,0,0]=3 3262 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,0,0,0,2,0|1,0,0]=3 3263 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,0,0,0,2,0|2,0,0]=4 3264 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,0,0,0,2,0|2,0,0]=4 3265 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,0,0,0,2,0|2,0,0]=4 3266 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,0,0,0,2,0|2,0,0]=4 3267 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,0,0,0,2,0|1,0,1]=4 3268 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,0,0,0,2,0|1,0,1]=4 3269 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,0,0,0,2,0|1,0,1]=4 3270 B13R0.367 C=COC(=O)CSCCC(=O)OCC 62a_100000036128_100000765890 [0,0,0,0,0,2|0,0,2]=4 3271 B13R0.367 C=COC(=O)CSCCC(=O)OCC 62a_100000765890_100000036128 [0,0,0,0,0,2|0,0,2]=4 3272 B13R0.367 C=COC(=O)CSCOC(=O)OCC 62a_100000036128_100000075025 [0,0,0,0,0,2|0,0,2]=4 3273 B13R0.367 CC#CC(=O)CCCCC(=O)OCC 1458a_100000763181_100000750268 [0,0,0,0,0,2|1,0,1]=4 3274 B13R0.367 CC#CC(=O)CCOCC(=O)OCC 1458a_100000763181_100000088970 [0,0,0,0,0,2|1,0,1]=4 3275 B13R0.367 CC=CC(=O)CCCCC(=O)OCC 1458a_100000210699_100000750268 [0,0,0,0,0,2|1,0,1]=4 3276 B13R0.367 CC=CC(=O)CCOCC(=O)OCC 1458a_100000210699_100000088970 [0,0,0,0,0,2|1,0,1]=4 3277 B13R0.367 CC=CC(=O)NCCCC(=O)OCC 188690a_100000211256_100000210699 [0,0,0,0,0,2|1,0,1]=4 3278 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,0,0,0,0,2|1,0,0]=3 3279 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,0,0,0,0,2|1,0,0]=3 3280 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,0,0,0,0,2|1,0,0]=3 3281 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000737597_100000747444 [0,0,0,0,0,2|2,0,0]=4 3282 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000747444_100000737597 [0,0,0,0,0,2|2,0,0]=4 3283 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [0,0,0,0,0,2|1,0,0]=3 3284 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [0,0,0,0,0,2|1,0,0]=3 3285 B13R0.367 CCCC(=O)CSCOC(=O)CCC 62a_100000747444_100000034017 [0,0,0,0,0,2|2,0,0]=4 3286 B13R0.367 CCCC(=O)CSCOC(=O)OCC 62a_100000747444_100000075025 [0,0,0,0,0,2|1,0,0]=3 3287 B13R0.367 CCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211992 [0,0,0,0,0,2|1,0,0]=3 3288 B13R0.367 CCCC(=O)OCNCC(=O)NCC 2230a_100016988866_100000034017 [0,0,0,0,0,2|2,0,0]=4 3289 B13R0.367 CCCC(=O)OCSCC(=O)NCC 62a_100000183381_100000034017 [0,0,0,0,0,2|2,0,0]=4 3290 B13R0.367 CCCC(=O)OCSCC(=O)OCC 62a_100000188475_100000034017 [0,0,0,0,0,2|1,0,0]=3 3291 B13R0.367 CCNC(=O)CCCCC(=O)OCC 11a_100015525214_100011217402 [0,0,0,0,0,2|1,0,0]=3 3292 B13R0.367 CCNC(=O)CCCCC(=O)OCC 240690a_100015525214_100011217402 [0,0,0,0,0,2|1,0,0]=3 3293 B13R0.367 CCNC(=O)CCCCC(=O)OCC 527a_100015525214_100011217402 [0,0,0,0,0,2|1,0,0]=3 3294 B13R0.367 CCNC(=O)CCNCC(=O)NCC 2230a_100016988866_100000737597 [0,0,0,0,0,2|2,0,0]=4 3295 B13R0.367 CCNC(=O)CCNCC(=O)NCC 34a_100025743525_100000183381 [0,0,0,0,0,2|2,0,0]=4 3296 B13R0.367 CCNC(=O)CCNCC(=O)OCC 34a_100025743525_100000188475 [0,0,0,0,0,2|1,0,0]=3 3297 B13R0.367 CCNC(=O)CCSCC(=O)NCC 62a_100000183381_100000737597 [0,0,0,0,0,2|2,0,0]=4 3298 B13R0.367 CCNC(=O)CCSCC(=O)NCC 62a_100000737597_100000183381 [0,0,0,0,0,2|2,0,0]=4 3299 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000188475_100000737597 [0,0,0,0,0,2|1,0,0]=3 3300 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000737597_100000188475 [0,0,0,0,0,2|1,0,0]=3 3301 B13R0.367 CCNC(=O)CNCCC(=O)OCC 2230a_100016988866_100011206558 [0,0,0,0,0,2|1,0,0]=3 3302 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000183381_100000765890 [0,0,0,0,0,2|1,0,0]=3 3303 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000183381 [0,0,0,0,0,2|1,0,0]=3 3304 B13R0.367 CCNC(=O)CSCOC(=O)OCC 62a_100000183381_100000075025 [0,0,0,0,0,2|1,0,0]=3 3305 B13R0.367 CCOC(=O)CCCCC(=O)CCF 1458a_100011217402_100011217306 [0,0,0,0,0,2|2,0,0]=4 3306 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011216618_100000750268 [0,0,0,0,0,2|2,0,0]=4 3307 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011217402_100000211926 [0,0,0,0,0,2|2,0,0]=4 3308 B13R0.367 CCOC(=O)CCCCC(=O)COC 1458a_100000210968_100000750268 [0,0,0,0,0,2|2,0,0]=4 3309 B13R0.367 CCOC(=O)CCCCC(=O)CSC 1458a_100000184570_100000750268 [0,0,0,0,0,2|2,0,0]=4 3310 B13R0.367 CCOC(=O)CCCCC(=O)NNC 22a_100016993582_100011217402 [0,0,0,0,0,2|2,0,0]=4 3311 B13R0.367 CCOC(=O)CCCNC(=O)CNC 2230a_106832991635_100000183181 [0,0,0,0,0,2|2,0,0]=4 3312 B13R0.367 CCOC(=O)CCCNC(=O)CNC 34a_100102657272_100000183181 [0,0,0,0,0,2|2,0,0]=4 3313 B13R0.367 CCOC(=O)CCCNC(=O)CNC 7a_106832991635_100000183181 [0,0,0,0,0,2|2,0,0]=4 3314 B13R0.367 CCOC(=O)CCCNC(=O)COC 188690a_100000211256_100000210968 [0,0,0,0,0,2|2,0,0]=4 3315 B13R0.367 CCOC(=O)CCCNC(=O)COC 34a_100138415774_100000183181 [0,0,0,0,0,2|2,0,0]=4 3316 B13R0.367 CCOC(=O)CCCNC(=O)CSC 188690a_100000211256_100000184570 [0,0,0,0,0,2|2,0,0]=4 3317 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_100000183181_200000210301 [0,0,0,0,0,2|2,0,0]=4 3318 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_200000210301_100000183181 [0,0,0,0,0,2|2,0,0]=4 3319 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_100000183181_200025704644 [0,0,0,0,0,2|2,0,0]=4 3320 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000183181 [0,0,0,0,0,2|2,0,0]=4 3321 B13R0.367 CCOC(=O)CCSCC(=O)NCO 62a_100000185155_100000765890 [0,0,0,0,0,2|2,0,0]=4 3322 B13R0.367 CCOC(=O)CCSCC(=O)NCO 62a_100000765890_100000185155 [0,0,0,0,0,2|2,0,0]=4 3323 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000188475_100000765890 [0,0,0,0,0,2|0,0,0]=2 3324 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000765890_100000188475 [0,0,0,0,0,2|0,0,0]=2 3325 B13R0.367 CCOC(=O)COCCC(=O)CCO 1458a_100011216618_100000088970 [0,0,0,0,0,2|2,0,0]=4 3326 B13R0.367 CCOC(=O)COCCC(=O)COC 1458a_100000210968_100000088970 [0,0,0,0,0,2|2,0,0]=4 3327 B13R0.367 CCOC(=O)COCCC(=O)CSC 1458a_100000184570_100000088970 [0,0,0,0,0,2|2,0,0]=4 3328 B13R0.367 CCOC(=O)CSCOC(=O)OCC 62a_100000188475_100000075025 [0,0,0,0,0,2|0,0,0]=2 3329 B13R0.367 CCOC(=O)OCSCC(=O)NCO 62a_100000185155_100000075025 [0,0,0,0,0,2|2,0,0]=4