0 B10R0.2 C#CCC(=O)CC(=O)CCC 1458a_100011220946_100000747444 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.2 C#CCC(=O)CC(=O)NCC 1458a_100011220946_100000183381 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,0,0,0,0,0|1,0,2]=3 14 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,0,0,0,0,0|1,0,2]=3 15 B10R0.2 C=COC(=O)CC(=O)C#CC 1458a_100000763181_100000036128 [0,0,0,0,0,0|1,0,3]=4 16 B10R0.2 C=COC(=O)CC(=O)C=CC 1458a_100000210699_100000036128 [0,0,0,0,0,0|1,0,3]=4 17 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.2 C=COC(=O)CC(=O)CCO 1458a_100011216618_100000036128 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.2 C=COC(=O)CC(=O)COC 1458a_100000210968_100000036128 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.2 C=COC(=O)CC(=O)CSC 1458a_100000184570_100000036128 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,0,0,0,0,0|2,0,1]=3 22 B10R0.2 CC#CC(=O)CC(=O)NCC 1458a_100000763181_100000183381 [0,0,0,0,0,0|2,0,1]=3 23 B10R0.2 CC#CC(=O)CC(=O)NCO 1458a_100000763181_100000185155 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,0,0,0,0,0|1,0,1]=2 25 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,0,0,0,0,0|2,0,1]=3 26 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.2 CC=CC(=O)CC(=O)NCO 1458a_100000210699_100000185155 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,0,0,0,0,0|1,0,1]=2 29 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.2 CCCC(=O)CC(=O)CC#N 1458a_100051588842_100000747444 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,0,0,0,0,0|2,0,0]=2 37 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,0,0,0,0,0|3,0,0]=3 38 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,0,0,0,0,0|3,0,0]=3 39 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,0,0,0,0,0|3,0,0]=3 40 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,0,0,0,0,0|2,0,0]=2 41 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,0,0,0,0,0|1,0,0]=1 43 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,0,0,0,0,0|1,0,0]=1 44 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,0,0,0,0,0|2,1,1]=4 47 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,0,0,0,0,0|4,0,0]=4 48 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,0,0,0,0,0|4,0,0]=4 49 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,0,0,0,0,0|3,0,0]=3 50 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,0,0,0,0,0|4,0,0]=4 55 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,0,0,0,0,0|4,0,0]=4 56 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,0,0,0,0,0|3,0,0]=3 58 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,0,0,0,0,0|3,0,0]=3 60 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,0,0,0,0,0|4,0,0]=4 65 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,0,0,0,0,0|3,0,0]=3 67 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,0,0,0,0,0|3,0,0]=3 69 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.2 CCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183381 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.2 CCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183381 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.2 CCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183381 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.2 CCNC(=O)CC(=O)CC#N 1458a_100051588842_100000183381 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,0,0,0,0,0|3,0,0]=3 75 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,0,0,0,0,0|3,0,0]=3 76 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,0,0,0,0,0|3,0,0]=3 77 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,0,0,0,0,0|1,0,0]=1 78 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,0,0,0,0,0|2,1,1]=4 79 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,0,0,0,0,0|2,1,1]=4 80 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,0,0,0,0,0|2,1,1]=4 81 B10R0.2 CCNC(=O)NC(=O)CNC 2230a_106832991635_100000183762 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.2 CCNC(=O)NC(=O)CNC 7a_106832991635_100000183762 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.2 CCNC(=O)NC(=O)CSC 62a_200000210301_100000183762 [0,0,0,0,0,0|4,0,0]=4 84 B10R0.2 CCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183762 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,0,0,0,0,0|2,0,1]=3 86 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,0,0,0,0,0|2,0,1]=3 95 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,0,0,0,0,0|2,0,1]=3 96 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,0,0,0,0,0|2,0,1]=3 97 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,0,0,0,0,0|2,0,1]=3 98 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,0,0,0,0,0|2,0,1]=3 99 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,0,0,0,0,0|2,0,0]=2 100 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,0,0,0,0,0|2,0,0]=2 101 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,0,0,0,0,0|2,0,0]=2 102 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,0,0,0,0,0|2,0,0]=2 103 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,0,0,0,0,0|2,0,0]=2 104 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,0,0,0,0,0|2,0,0]=2 105 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,0,0,0,0,0|2,0,0]=2 106 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,0,0,0,0,0|2,0,0]=2 107 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,0,0,0,0,0|2,0,0]=2 108 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,0,0,0,0,0|2,0,0]=2 109 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,0,0,0,0,0|1,1,1]=3 110 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,0,0,0,0,0|1,1,1]=3 111 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,0,0,0,0,0|2,1,1]=4 112 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,0,0,0,0,0|2,1,1]=4 113 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,0,0,0,0,0|4,0,0]=4 114 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,0,0,0,0,0|4,0,0]=4 115 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,0,0,0,0,0|4,0,0]=4 116 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,0,0,0,0,0|4,0,0]=4 117 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,0,0,0,0,0|4,0,0]=4 118 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,0,0,0,0,0|4,0,0]=4 119 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,0,0,0,0,0|1,0,1]=2 120 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,0,0,0,0,0|2,0,1]=3 121 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,0,0,0,0,0|2,0,2]=4 124 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,0,0,0,0,0|3,0,0]=3 129 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,0,0,0,0,0|3,0,0]=3 130 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,0,0,0,0,0|3,0,0]=3 131 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,0,0,0,0,0|2,1,1]=4 132 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,0,0,0,0,0|2,1,1]=4 133 B10R0.2 COCC(=O)CC(=O)NCO 1458a_100000210968_100000185155 [0,0,0,0,0,0|4,0,0]=4 134 B10R0.2 CSCC(=O)CC(=O)NCO 1458a_100000184570_100000185155 [0,0,0,0,0,0|4,0,0]=4 135 B10R0.2 O=C(CCO)CC(=O)NCO 1458a_100011216618_100000185155 [0,0,0,0,0,0|4,0,0]=4 136 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,0,0,0,0,0|1,0,2]=4 138 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|2,0,0]=3 139 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,0,0,0,0,0|3,0,0]=4 140 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,0,0,0,0,0|3,0,0]=4 141 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,0,0,0,0,0|2,0,0]=3 142 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,0,0,0,0,0|2,0,0]=3 143 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,0,0,0,0,0|2,0,0]=3 144 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [1,0,0,0,0,0|3,0,0]=4 145 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|2,0,0]=3 146 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,0,0,0,0,0|3,0,0]=4 147 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,0,0,0,0,0|3,0,0]=4 148 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,0,0,0,0,0|3,0,0]=4 149 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [1,0,0,0,0,0|2,0,1]=4 150 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,0,0,0,0|1,0,2]=4 151 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,0,0,0,0,0|1,0,1]=3 153 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|1,0,1]=3 154 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|1,0,1]=3 155 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|1,1,1]=4 156 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|1,1,1]=4 157 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|2,0,1]=4 158 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|2,0,1]=4 159 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|2,0,1]=4 162 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|2,0,1]=4 163 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|2,0,1]=4 164 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|2,0,1]=4 165 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|2,0,1]=4 166 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|3,0,0]=4 167 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|3,0,0]=4 168 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 169 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 170 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|3,0,0]=4 171 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 172 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|2,0,0]=3 173 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|3,0,0]=4 174 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|3,0,0]=4 175 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|3,0,0]=4 176 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 177 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 178 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 179 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|3,0,0]=4 180 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|3,0,0]=4 181 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|2,0,0]=3 182 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|2,0,0]=3 183 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [1,0,0,0,0,0|1,0,1]=3 184 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [1,0,0,0,0,0|1,0,1]=3 185 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|1,0,1]=3 186 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|1,0,1]=3 187 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|1,0,1]=3 188 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|1,1,1]=4 189 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|1,1,1]=4 190 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|1,1,1]=4 191 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|1,1,1]=4 192 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|1,1,1]=4 193 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|2,0,1]=4 194 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|2,0,1]=4 195 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|1,0,1]=3 196 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,0,0,0,0,0|2,0,1]=4 197 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,0,0,0,0,0|2,0,1]=4 198 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,0,0,0,0,0|2,0,1]=4 199 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,0,0,0,0,0|2,0,1]=4 201 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,0,0,0,0,0|2,0,1]=4 203 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,0,0,0,0,0|2,0,1]=4 204 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,0,0,0,0,0|2,0,1]=4 205 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|2,0,1]=4 206 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|2,0,1]=4 207 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|2,0,1]=4 208 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|2,0,1]=4 209 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|2,0,1]=4 210 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|2,0,1]=4 211 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|2,0,1]=4 213 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|2,0,1]=4 214 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|2,0,1]=4 215 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|0,1,1]=3 216 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|0,1,1]=3 217 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,0,0,0,0,0|1,1,1]=4 218 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,0,0,0,0,0|1,1,1]=4 219 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,0,0,0,0,0|3,0,0]=4 220 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|3,0,0]=4 221 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|3,0,0]=4 222 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,0,0,0,0,0|3,0,0]=4 223 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,0,0,0,0,0|3,0,0]=4 224 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,0,0,0,0,0|3,0,0]=4 225 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,0,0,0,0,0|3,0,0]=4 226 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|3,0,0]=4 227 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|3,0,0]=4 228 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,0,0,0,0,0|3,0,0]=4 229 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,0,0,0,0,0|3,0,0]=4 230 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,0,0,0,0,0|3,0,0]=4 231 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,0,0,0,0,0|3,0,0]=4 232 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|1,1,1]=4 233 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [1,0,0,0,0,0|2,0,1]=4 234 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [1,0,0,0,0,0|2,0,1]=4 235 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|0,0,1]=2 243 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [1,0,0,0,0,0|1,0,2]=4 244 B9R0.34 C#CC(=O)CC(=O)NCC 1458a_100000211873_100000183381 [1,0,0,0,0,0|1,0,2]=4 245 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [1,0,0,0,0,0|0,0,2]=3 246 B9R0.34 C#CCC(=O)CC(=O)CC 1458a_100011220946_100000747405 [1,0,0,0,0,0|1,0,2]=4 247 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [1,0,0,0,0,0|1,0,2]=4 248 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [1,0,0,0,0,0|1,0,2]=4 249 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,0,0,0,0,0|2,0,0]=3 250 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [1,0,0,0,0,0|3,0,0]=4 251 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [1,0,0,0,0,0|3,0,0]=4 252 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [1,0,0,0,0,0|3,0,0]=4 253 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [1,0,0,0,0,0|3,0,0]=4 254 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [1,0,0,0,0,0|1,0,2]=4 255 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [1,0,0,0,0,0|1,0,2]=4 256 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [1,0,0,0,0,0|0,0,2]=3 257 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [1,0,0,0,0,0|1,0,2]=4 258 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [1,0,0,0,0,0|1,0,2]=4 259 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [1,0,0,0,0,0|1,0,2]=4 260 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [1,0,0,0,0,0|0,0,2]=3 261 B9R0.34 C=COC(=O)CC(=O)CO 1458a_100000210174_100000036128 [1,0,0,0,0,0|1,0,2]=4 262 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [1,0,0,0,0,0|1,0,1]=3 263 B9R0.34 CC#CC(=O)CC(=O)NC 1458a_100000763181_100000183359 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [1,0,0,0,0,0|1,0,1]=3 265 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [1,0,0,0,0,0|1,0,1]=3 266 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [1,0,0,0,0,0|1,0,1]=3 268 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [1,0,0,0,0,0|2,0,1]=4 270 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [1,0,0,0,0,0|2,0,1]=4 271 B9R0.34 CCC(=O)CC(=O)CC#N 1458a_100051588842_100000747405 [1,0,0,0,0,0|2,0,1]=4 272 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [1,0,0,0,0,0|2,0,0]=3 273 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [1,0,0,0,0,0|2,0,0]=3 274 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [1,0,0,0,0,0|2,0,0]=3 275 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [1,0,0,0,0,0|2,0,0]=3 276 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,0,0,0,0,0|2,0,1]=4 277 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,0,0,0,0,0|2,0,1]=4 278 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,0,0,0,0,0|1,0,0]=2 279 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,0,0,0,0,0|1,0,0]=2 280 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,0,0,0,0,0|2,0,0]=3 281 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,0,0,0,0,0|2,0,0]=3 282 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,0,0,0,0,0|1,0,0]=2 283 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,0,0,0,0,0|1,0,0]=2 284 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,0,0,0,0,0|2,0,1]=4 285 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,0,0,0,0,0|2,0,1]=4 286 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,0,0,0,0,0|1,0,2]=4 287 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,0,0,0,0,0|1,0,2]=4 288 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,0,0,0,0,0|3,0,0]=4 289 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,0,0,0,0,0|3,0,0]=4 290 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,0,0,0,0,0|3,0,0]=4 291 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,0,0,0,0,0|2,0,1]=4 292 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [1,0,0,0,0,0|2,0,1]=4 293 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [1,0,0,0,0,0|2,0,1]=4 294 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [1,0,0,0,0,0|3,0,0]=4 295 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [1,0,0,0,0,0|3,0,0]=4 296 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [1,0,0,0,0,0|3,0,0]=4 297 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [1,0,0,0,0,0|3,0,0]=4 298 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,0,0,0,0,0|2,0,0]=3 299 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [1,0,0,0,0,0|3,0,0]=4 300 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [1,0,0,0,0,0|3,0,0]=4 301 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [1,0,0,0,0,0|3,0,0]=4 302 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [1,0,0,0,0,0|3,0,0]=4 303 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [1,0,0,0,0,0|3,0,0]=4 304 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [1,0,0,0,0,0|2,0,1]=4 305 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [1,0,0,0,0,0|2,0,1]=4 306 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,0,0,0,0,0|1,0,0]=2 307 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [1,0,0,0,0,0|2,0,0]=3 308 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [1,0,0,0,0,0|1,0,0]=2 309 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,0,0,0,0,0|2,0,1]=4 310 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,0,0,0,0,0|2,0,1]=4 311 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,0,0,0,0,0|2,0,1]=4 312 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,0,0,0,0,0|1,0,2]=4 313 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,0,0,0,0,0|3,0,0]=4 314 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,0,0,0,0,0|3,0,0]=4 315 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,0,0,0,0,0|3,0,0]=4 316 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,0,0,0,0,0|3,0,0]=4 317 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,0,0,0,0,0|3,0,0]=4 318 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,0,0,0,0,0|3,0,0]=4 319 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [1,0,0,0,0,0|2,0,1]=4 320 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,0,0,0,0,0|0,0,0]=1 321 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,0,0,0,0,0|0,0,0]=1 322 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,0,0,0,0,0|1,0,0]=2 323 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,0,0,0,0,0|1,0,0]=2 324 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,0,0,0,0,0|1,0,0]=2 325 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,0,0,0,0,0|2,0,1]=4 327 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,0,0,0,0,0|1,1,1]=4 328 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,0,0,0,0,0|1,1,1]=4 329 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,0,0,0,0,0|1,1,1]=4 330 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,0,0,0,0,0|1,1,1]=4 331 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,0,0,0,0,0|2,0,0]=3 332 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,0,0,0,0,0|2,0,0]=3 333 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,0,0,0,0,0|2,0,0]=3 334 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,0,0,0,0,0|2,0,0]=3 335 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,0,0,0,0,0|2,0,0]=3 336 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,0,0,0,0,0|2,0,0]=3 337 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,0,0,0,0,0|2,0,0]=3 338 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,0,0,0,0,0|1,0,1]=3 339 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,0,0,0,0,0|1,0,1]=3 340 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [1,0,0,0,0,0|1,0,1]=3 341 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [1,0,0,0,0,0|1,1,1]=4 342 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [1,0,0,0,0,0|1,1,1]=4 343 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [1,0,0,0,0,0|1,1,1]=4 344 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [1,0,0,0,0,0|3,0,0]=4 345 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [1,0,0,0,0,0|3,0,0]=4 346 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [1,0,0,0,0,0|3,0,0]=4 347 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [1,0,0,0,0,0|2,0,0]=3 348 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [1,0,0,0,0,0|2,0,1]=4 349 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [1,0,0,0,0,0|2,0,1]=4 350 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [1,0,0,0,0,0|2,0,1]=4 351 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [1,0,0,0,0,0|2,0,1]=4 353 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [1,0,0,0,0,0|2,0,0]=3 354 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [1,0,0,0,0,0|2,0,0]=3 355 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [1,0,0,0,0,0|2,0,0]=3 356 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [1,0,0,0,0,0|2,0,0]=3 357 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [1,0,0,0,0,0|2,0,0]=3 358 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [1,0,0,0,0,0|2,0,0]=3 359 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [1,0,0,0,0,0|2,0,0]=3 360 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [1,0,0,0,0,0|2,0,0]=3 361 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [1,0,0,0,0,0|3,0,0]=4 362 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [1,0,0,0,0,0|3,0,0]=4 363 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [1,0,0,0,0,0|2,0,0]=3 364 B9R0.34 O=C(CO)CC(=O)NCO 1458a_100000210174_100000185155 [1,0,0,0,0,0|3,0,0]=4 365 B11R0.1 C#CCC(=O)CC(=O)OC(C)C 1458a_100011220946_100011215430 [0,1,0,0,0,0|1,0,2]=4 366 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,1,0,0,0,0|1,0,1]=3 367 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,0|3,0,0]=4 368 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,1,0,0,0,0|3,0,0]=4 369 B11R0.1 C=C(CCC)CC(=O)NC(C)C 11a_100138425928_100000138376 [0,1,0,0,0,0|3,0,0]=4 370 B11R0.1 C=C(CCC)CC(=O)NC(C)C 240690a_100138425928_100000138376 [0,1,0,0,0,0|3,0,0]=4 371 B11R0.1 C=C(CCC)CC(=O)NC(C)C 527a_100138425928_100000138376 [0,1,0,0,0,0|3,0,0]=4 372 B11R0.1 C=C(F)CC(=O)CC(=O)OCC 1458a_100000243816_100009893438 [0,1,0,0,0,0|1,0,2]=4 373 B11R0.1 C=CCC(=O)CC(=O)OC(C)C 1458a_100000210193_100011215430 [0,1,0,0,0,0|1,0,2]=4 374 B11R0.1 C=COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000036128 [0,1,0,0,0,0|1,0,2]=4 375 B11R0.1 C=COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000036128 [0,1,0,0,0,0|1,0,2]=4 376 B11R0.1 CC#CC(=O)CC(=O)NC(C)C 1458a_100000763181_100000183996 [0,1,0,0,0,0|2,0,1]=4 377 B11R0.1 CC#CC(=O)CC(=O)OC(C)C 1458a_100000763181_100011215430 [0,1,0,0,0,0|1,0,1]=3 378 B11R0.1 CC(C)CC(=O)CC(=O)NCO 1458a_100000210554_100000185155 [0,1,0,0,0,0|3,0,0]=4 379 B11R0.1 CC(C)NC(=O)CC(=O)CCO 1458a_100011216618_100000183996 [0,1,0,0,0,0|3,0,0]=4 380 B11R0.1 CC(C)OC(=O)CC(=O)C=CBr 1458a_100016273825_100011215430 [0,1,0,0,0,0|2,0,1]=4 381 B11R0.1 CC(C)OC(=O)CC(=O)C=CCl 1458a_200016279998_100011215430 [0,1,0,0,0,0|2,0,1]=4 382 B11R0.1 CC(C)OC(=O)CC(=O)C=CI 1458a_100016256311_100011215430 [0,1,0,0,0,0|2,0,1]=4 383 B11R0.1 CC(C)OC(=O)CC(=O)CC#N 1458a_100051588842_100011215430 [0,1,0,0,0,0|2,0,1]=4 384 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,1,0,0,0,0|2,0,0]=3 385 B11R0.1 CC=CC(=O)CC(=O)NC(C)C 1458a_100000210699_100000183996 [0,1,0,0,0,0|2,0,1]=4 386 B11R0.1 CC=CC(=O)CC(=O)OC(C)C 1458a_100000210699_100011215430 [0,1,0,0,0,0|1,0,1]=3 387 B11R0.1 CCCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747444 [0,1,0,0,0,0|2,0,1]=4 388 B11R0.1 CCCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747444 [0,1,0,0,0,0|2,0,1]=4 389 B11R0.1 CCCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747444 [0,1,0,0,0,0|2,0,1]=4 390 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,0|2,0,0]=3 391 B11R0.1 CCCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747444 [0,1,0,0,0,0|3,0,0]=4 392 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,0|2,0,0]=3 393 B11R0.1 CCCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747444 [0,1,0,0,0,0|3,0,0]=4 394 B11R0.1 CCCC(=O)CC(=O)NC(=O)C 1458a_100000211992_100000183797 [0,1,0,0,0,0|2,0,1]=4 395 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,0,0|2,0,0]=3 396 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,0,0|1,0,0]=2 397 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,0|3,0,0]=4 400 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.1 CCCS(=O)CC(=O)NC(C)C 11a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 402 B11R0.1 CCCS(=O)CC(=O)NC(C)C 1626a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 403 B11R0.1 CCCS(=O)CC(=O)NC(C)C 240690a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 404 B11R0.1 CCCS(=O)CC(=O)NC(C)C 527a_100138425928_100011387404 [0,1,0,0,0,0|3,0,0]=4 405 B11R0.1 CCNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183381 [0,1,0,0,0,0|2,0,1]=4 406 B11R0.1 CCNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000183381 [0,1,0,0,0,0|2,0,1]=4 407 B11R0.1 CCNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000183381 [0,1,0,0,0,0|2,0,1]=4 408 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,0,0|2,0,0]=3 409 B11R0.1 CCNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183381 [0,1,0,0,0,0|3,0,0]=4 410 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,1,0,0,0,0|2,0,0]=3 411 B11R0.1 CCNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183381 [0,1,0,0,0,0|3,0,0]=4 412 B11R0.1 CCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000188475 [0,1,0,0,0,0|1,0,1]=3 413 B11R0.1 CCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000188475 [0,1,0,0,0,0|1,0,1]=3 414 B11R0.1 CCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000188475 [0,1,0,0,0,0|1,0,1]=3 415 B11R0.1 CCOC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000188475 [0,1,0,0,0,0|2,0,1]=4 416 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100000243816_100000187820 [0,1,0,0,0,0|2,0,1]=4 417 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000188475 [0,1,0,0,0,0|2,0,1]=4 418 B11R0.1 CCOC(=O)CC(=O)CC(=O)[O-] 1458a_100000243816_100020667443 [0,1,0,0,0,0|2,0,1]=4 419 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,0|1,0,0]=2 420 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,0|1,0,0]=2 421 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,1,0,0,0,0|1,0,0]=2 422 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,1,0,0,0,0|2,0,0]=3 423 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,1,0,0,0,0|2,0,0]=3 424 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,1,0,0,0,0|2,0,0]=3 425 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,1,0,0,0,0|1,0,0]=2 426 B11R0.1 CCOC(=O)CC(=O)C[N+](=O)[O-] 1458a_100000243816_100000761209 [0,1,0,0,0,0|3,0,0]=4 427 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,1,0,0,0,0|2,0,0]=3 428 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,1,0,0,0,0|1,0,0]=2 429 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,1,0,0,0,0|2,0,1]=4 430 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,1,0,0,0,0|1,1,1]=4 431 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,1,0,0,0,0|1,1,1]=4 432 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,1,0,0,0,0|3,0,0]=4 433 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,1,0,0,0,0|3,0,0]=4 434 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,1,0,0,0,0|3,0,0]=4 435 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,1,0,0,0,0|3,0,0]=4 436 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,1,0,0,0,0|3,0,0]=4 437 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,1,0,0,0,0|3,0,0]=4 438 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,1,0,0,0,0|3,0,0]=4 439 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,1,0,0,0,0|3,0,0]=4 440 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,1,0,0,0,0|1,0,1]=3 441 B11R0.1 CCOC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010344 [0,1,0,0,0,0|2,0,1]=4 442 B11R0.1 CCOC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010344 [0,1,0,0,0,0|3,0,0]=4 443 B11R0.1 COCC(=O)CC(=O)NC(C)C 1458a_100000210968_100000183996 [0,1,0,0,0,0|3,0,0]=4 444 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,1,0,0,0,0|2,0,0]=3 445 B11R0.1 CSCC(=O)CC(=O)NC(C)C 1458a_100000184570_100000183996 [0,1,0,0,0,0|3,0,0]=4 446 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,1,0,0,0,0|2,0,0]=3 447 B11R0.1 C[C@@H](O)CC(=O)CC(=O)NCO 1458a_100011933948_100000185155 [0,1,0,0,0,0|3,0,0]=4 448 B11R0.5 C#CCC(=O)CC(=O)OCCC 1458a_100011220946_200011215008 [0,1,0,0,0,0|1,0,2]=4 449 B11R0.5 C#CCCC(=O)CC(=O)CCC 1458a_100000692101_100000747444 [0,1,0,0,0,0|2,0,1]=4 450 B11R0.5 C#CCCC(=O)CC(=O)NCC 1458a_100000692101_100000183381 [0,1,0,0,0,0|2,0,1]=4 451 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,1,0,0,0,0|1,0,1]=3 452 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,1,0,0,0,0|1,0,1]=3 453 B11R0.5 C#CCNC(=O)CC(=O)OCC 240690a_100000212058_100000243816 [0,1,0,0,0,0|1,0,1]=3 454 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [0,1,0,0,0,0|1,0,2]=4 455 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,1,0,0,0,0|1,0,1]=3 456 B11R0.5 C=C(CC(=O)C#CC)OCOC 1458a_100000763181_100000042856 [0,1,0,0,0,0|2,0,1]=4 457 B11R0.5 C=C(CC(=O)C=CC)OCOC 1458a_100000210699_100000042856 [0,1,0,0,0,0|2,0,1]=4 458 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [0,1,0,0,0,0|2,0,0]=3 459 B11R0.5 C=C(CC(=O)CCO)OCOC 1458a_100011216618_100000042856 [0,1,0,0,0,0|3,0,0]=4 460 B11R0.5 C=C(CC(=O)COC)OCOC 1458a_100000210968_100000042856 [0,1,0,0,0,0|3,0,0]=4 461 B11R0.5 C=C(CC(=O)CSC)OCOC 1458a_100000184570_100000042856 [0,1,0,0,0,0|3,0,0]=4 462 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,0|3,0,0]=4 463 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,1,0,0,0,0|3,0,0]=4 464 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,1,0,0,0,0|3,0,0]=4 465 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,1,0,0,0,0|3,0,0]=4 466 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,1,0,0,0,0|3,0,0]=4 467 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,1,0,0,0,0|3,0,0]=4 468 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,1,0,0,0,0|3,0,0]=4 469 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,1,0,0,0,0|3,0,0]=4 470 B11R0.5 C=C(CCC)CC(=O)NCCF 11a_100000724931_100000138376 [0,1,0,0,0,0|3,0,0]=4 471 B11R0.5 C=C(CCC)CC(=O)NCCF 240690a_100000724931_100000138376 [0,1,0,0,0,0|3,0,0]=4 472 B11R0.5 C=C(CCC)CC(=O)NCCF 527a_100000724931_100000138376 [0,1,0,0,0,0|3,0,0]=4 473 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,1,0,0,0,0|3,0,0]=4 474 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,1,0,0,0,0|3,0,0]=4 475 B11R0.5 C=C(CCC)CC(=O)NNCC 22a_100000756455_100000138376 [0,1,0,0,0,0|3,0,0]=4 476 B11R0.5 C=CC=CC(=O)CC(=O)OCC 1458a_100016291481_100000188475 [0,1,0,0,0,0|1,0,2]=4 477 B11R0.5 C=CCC(=O)CC(=O)OCCC 1458a_100000210193_200011215008 [0,1,0,0,0,0|1,0,2]=4 478 B11R0.5 C=CCCC(=O)CC(=O)CCC 1458a_100000749702_100000747444 [0,1,0,0,0,0|2,0,1]=4 479 B11R0.5 C=CCCC(=O)CC(=O)NCC 1458a_100000749702_100000183381 [0,1,0,0,0,0|2,0,1]=4 480 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,1,0,0,0,0|1,0,1]=3 481 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,1,0,0,0,0|1,0,1]=3 482 B11R0.5 C=CCNC(=O)CC(=O)CCC 1458a_100000211992_100000183597 [0,1,0,0,0,0|2,0,1]=4 483 B11R0.5 C=CCNC(=O)CC(=O)OCC 240690a_100020586998_100000243816 [0,1,0,0,0,0|1,0,1]=3 484 B11R0.5 C=CCOC(=O)CC(=O)C#CC 1458a_100000763181_100000033060 [0,1,0,0,0,0|1,0,2]=4 485 B11R0.5 C=CCOC(=O)CC(=O)C=CC 1458a_100000210699_100000033060 [0,1,0,0,0,0|1,0,2]=4 486 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,1,0,0,0,0|1,0,1]=3 487 B11R0.5 C=CCOC(=O)CC(=O)CCO 1458a_100011216618_100000033060 [0,1,0,0,0,0|2,0,1]=4 488 B11R0.5 C=CCOC(=O)CC(=O)COC 1458a_100000210968_100000033060 [0,1,0,0,0,0|2,0,1]=4 489 B11R0.5 C=CCOC(=O)CC(=O)CSC 1458a_100000184570_100000033060 [0,1,0,0,0,0|2,0,1]=4 490 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [0,1,0,0,0,0|1,0,2]=4 491 B11R0.5 C=COC(=O)CC(=O)C#CCC 1458a_100011827653_100000036128 [0,1,0,0,0,0|1,0,2]=4 492 B11R0.5 C=COC(=O)CC(=O)C=CCC 1458a_100000212282_100000036128 [0,1,0,0,0,0|1,0,2]=4 493 B11R0.5 C=COC(=O)CC(=O)CCCC 1458a_100000210183_100000036128 [0,1,0,0,0,0|1,0,2]=4 494 B11R0.5 C=COC(=O)CC(=O)CCOC 1458a_100000749529_100000036128 [0,1,0,0,0,0|1,0,2]=4 495 B11R0.5 C=COC(=O)CC(=O)CCSC 1458a_100000174002_100000036128 [0,1,0,0,0,0|1,0,2]=4 496 B11R0.5 C=COC(=O)CC(=O)COCC 1458a_100000211967_100000036128 [0,1,0,0,0,0|0,0,2]=3 497 B11R0.5 C=COC(=O)CC(=O)CSCC 1458a_100000230394_100000036128 [0,1,0,0,0,0|0,1,2]=4 498 B11R0.5 CC#CC(=O)CC(=O)NCCC 1458a_100000763181_100000183358 [0,1,0,0,0,0|2,0,1]=4 499 B11R0.5 CC#CC(=O)CC(=O)OCCC 1458a_100000763181_200011215008 [0,1,0,0,0,0|1,0,1]=3 500 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,1,0,0,0,0|1,0,1]=3 501 B11R0.5 CC=CC(=O)CC(=O)NCCC 1458a_100000210699_100000183358 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.5 CC=CC(=O)CC(=O)OCCC 1458a_100000210699_200011215008 [0,1,0,0,0,0|1,0,1]=3 503 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [0,1,0,0,0,0|2,0,1]=4 504 B11R0.5 CC=CCC(=O)CC(=O)NCC 1458a_100121576822_100000183381 [0,1,0,0,0,0|2,0,1]=4 505 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,1,0,0,0,0|1,0,1]=3 506 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,1,0,0,0,0|1,0,1]=3 507 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [0,1,0,0,0,0|2,0,0]=3 508 B11R0.5 CCC#CC(=O)CC(=O)NCC 1458a_100011827653_100000183381 [0,1,0,0,0,0|2,0,0]=3 509 B11R0.5 CCC#CC(=O)CC(=O)NCO 1458a_100011827653_100000185155 [0,1,0,0,0,0|3,0,0]=4 510 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,1,0,0,0,0|1,0,0]=2 511 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,1,0,0,0,0|2,0,0]=3 512 B11R0.5 CCC=CC(=O)CC(=O)NCC 1458a_100000212282_100000183381 [0,1,0,0,0,0|2,0,0]=3 513 B11R0.5 CCC=CC(=O)CC(=O)NCO 1458a_100000212282_100000185155 [0,1,0,0,0,0|3,0,0]=4 514 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,1,0,0,0,0|1,0,0]=2 515 B11R0.5 CCCC(=O)CC(=O)C#CCO 1458a_100000049017_100000747444 [0,1,0,0,0,0|2,0,1]=4 516 B11R0.5 CCCC(=O)CC(=O)C=COC 1458a_100016268678_100000747444 [0,1,0,0,0,0|2,0,1]=4 517 B11R0.5 CCCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747444 [0,1,0,0,0,0|2,0,1]=4 518 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,0|2,0,0]=3 519 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,0|2,0,0]=3 520 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,0|1,0,0]=2 521 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,0|1,1,0]=3 522 B11R0.5 CCCC(=O)CC(=O)NCC#N 1458a_100000211992_100000736037 [0,1,0,0,0,0|2,0,1]=4 523 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,1,0,0,0,0|2,0,1]=4 524 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,0|2,0,0]=3 525 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,1,0,0,0,0|2,0,0]=3 526 B11R0.5 CCCCC(=O)CC(=O)NCO 1458a_100000210183_100000185155 [0,1,0,0,0,0|3,0,0]=4 527 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,1,0,0,0,0|1,0,0]=2 528 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,1,0,0,0,0|1,0,0]=2 529 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,0|3,0,0]=4 530 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,1,0,0,0,0|3,0,0]=4 531 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,1,0,0,0,0|3,0,0]=4 532 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,1,0,0,0,0|3,0,0]=4 533 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,0|2,0,0]=3 534 B11R0.5 CCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183358 [0,1,0,0,0,0|3,0,0]=4 535 B11R0.5 CCCNC(=O)CC(=O)COC 1458a_100000210968_100000183358 [0,1,0,0,0,0|3,0,0]=4 536 B11R0.5 CCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183358 [0,1,0,0,0,0|3,0,0]=4 537 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,1,0,0,0,0|1,0,0]=2 538 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [0,1,0,0,0,0|3,0,0]=4 539 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [0,1,0,0,0,0|3,0,0]=4 540 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [0,1,0,0,0,0|3,0,0]=4 541 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [0,1,0,0,0,0|3,0,0]=4 542 B11R0.5 CCCOC(=O)CC(=O)C=CBr 1458a_100016273825_200011215008 [0,1,0,0,0,0|2,0,1]=4 543 B11R0.5 CCCOC(=O)CC(=O)C=CCl 1458a_200016279998_200011215008 [0,1,0,0,0,0|2,0,1]=4 544 B11R0.5 CCCOC(=O)CC(=O)C=CI 1458a_100016256311_200011215008 [0,1,0,0,0,0|2,0,1]=4 545 B11R0.5 CCCOC(=O)CC(=O)CC#N 1458a_100051588842_200011215008 [0,1,0,0,0,0|2,0,1]=4 546 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,0|1,0,0]=2 547 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,1,0,0,0,0|2,0,0]=3 548 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,1,0,0,0,0|2,0,0]=3 549 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,1,0,0,0,0|2,0,0]=3 550 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,1,0,0,0,0|3,0,0]=4 551 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,1,0,0,0,0|3,0,0]=4 552 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,1,0,0,0,0|1,0,1]=3 553 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [0,1,0,0,0,0|3,0,0]=4 554 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,1,0,0,0,0|3,0,0]=4 555 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [0,1,0,0,0,0|3,0,0]=4 556 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [0,1,0,0,0,0|3,0,0]=4 557 B11R0.5 CCCS(=O)CC(=O)NCCF 11a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 558 B11R0.5 CCCS(=O)CC(=O)NCCF 1626a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 559 B11R0.5 CCCS(=O)CC(=O)NCCF 240690a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 560 B11R0.5 CCCS(=O)CC(=O)NCCF 527a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 561 B11R0.5 CCCS(=O)CC(=O)NCCO 240690a_100000210304_100011387404 [0,1,0,0,0,0|3,0,0]=4 562 B11R0.5 CCCS(=O)CC(=O)NCCO 527a_100000210304_100011387404 [0,1,0,0,0,0|3,0,0]=4 563 B11R0.5 CCCS(=O)CC(=O)NNCC 22a_100000756455_100011387404 [0,1,0,0,0,0|3,0,0]=4 564 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,1,0,0,0,0|1,1,1]=4 565 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,1,0,0,0,0|1,1,1]=4 566 B11R0.5 CCNC(=O)CC(=O)C#CCO 1458a_100000049017_100000183381 [0,1,0,0,0,0|2,0,1]=4 567 B11R0.5 CCNC(=O)CC(=O)C=COC 1458a_100016268678_100000183381 [0,1,0,0,0,0|2,0,1]=4 568 B11R0.5 CCNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183381 [0,1,0,0,0,0|2,0,1]=4 569 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,1,0,0,0,0|2,0,0]=3 570 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,1,0,0,0,0|2,0,0]=3 571 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,1,0,0,0,0|1,0,0]=2 572 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,1,0,0,0,0|1,1,0]=3 573 B11R0.5 CCNC(=O)CN(C)COCC 269982a_100000741943_100000739092 [0,1,0,0,0,0|3,0,0]=4 574 B11R0.5 CCNC(=O)NC(=O)CSCC 62a_100000210202_100000183762 [0,1,0,0,0,0|2,1,0]=4 575 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,1,0,0,0,0|2,0,1]=4 576 B11R0.5 CCNCC(=O)NC(=O)NCC 2230a_100015525214_100000183762 [0,1,0,0,0,0|3,0,0]=4 577 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,1,0,0,0,0|1,0,0]=2 578 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,1,0,0,0,0|1,1,1]=4 579 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,1,0,0,0,0|1,1,1]=4 580 B11R0.5 CCOC(=O)CC(=O)C#CCO 1458a_100000049017_100000188475 [0,1,0,0,0,0|1,0,1]=3 581 B11R0.5 CCOC(=O)CC(=O)C=COC 1458a_100016268678_100000188475 [0,1,0,0,0,0|1,0,1]=3 582 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,1,0,0,0,0|1,0,1]=3 583 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,1,0,0,0,0|1,0,1]=3 584 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,1,0,0,0,0|1,0,0]=2 585 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,1,0,0,0,0|1,0,0]=2 586 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,1,0,0,0,0|1,0,0]=2 587 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,1,0,0,0,0|1,0,0]=2 588 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,1,0,0,0,0|1,0,0]=2 589 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,1,0,0,0,0|1,0,0]=2 590 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,1,0,0,0,0|0,1,0]=2 591 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,1,0,0,0,0|0,1,0]=2 592 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,1,0,0,0,0|0,1,0]=2 593 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,1,0,0,0,0|1,1,0]=3 594 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,1,0,0,0,0|1,1,0]=3 595 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,1,0,0,0,0|1,0,0]=2 596 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,1,0,0,0,0|1,0,0]=2 597 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,1,0,0,0,0|2,0,1]=4 598 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,1,0,0,0,0|1,1,1]=4 599 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,1,0,0,0,0|1,1,1]=4 600 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,1,0,0,0,0|1,1,1]=4 601 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,1,0,0,0,0|1,1,1]=4 602 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,1,0,0,0,0|1,1,1]=4 603 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,1,0,0,0,0|1,1,1]=4 604 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,1,0,0,0,0|1,1,1]=4 605 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,1,0,0,0,0|1,1,1]=4 606 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,1,0,0,0,0|3,0,0]=4 607 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,1,0,0,0,0|3,0,0]=4 608 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,1,0,0,0,0|3,0,0]=4 609 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,1,0,0,0,0|3,0,0]=4 610 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,1,0,0,0,0|3,0,0]=4 611 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,1,0,0,0,0|3,0,0]=4 612 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,1,0,0,0,0|3,0,0]=4 613 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,1,0,0,0,0|3,0,0]=4 614 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,1,0,0,0,0|3,0,0]=4 615 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,1,0,0,0,0|3,0,0]=4 616 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [0,1,0,0,0,0|1,0,2]=4 617 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,1,0,0,0,0|1,0,2]=4 618 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,1,0,0,0,0|1,0,1]=3 619 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,1,0,0,0,0|1,0,1]=3 620 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,1,0,0,0,0|0,1,2]=4 621 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,1,0,0,0,0|0,1,2]=4 622 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [0,1,0,0,0,0|1,1,0]=3 623 B11R0.5 CCOC(=O)NC(=O)CSCF 62a_100015361967_100000010344 [0,1,0,0,0,0|2,1,0]=4 624 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,1,0,0,0,0|1,0,1]=3 625 B11R0.5 CCOCC(=O)CC(=O)NCO 1458a_100000211967_100000185155 [0,1,0,0,0,0|2,0,0]=3 626 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,1,0,0,0,0|0,0,0]=1 627 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,1,0,0,0,0|0,0,2]=3 628 B11R0.5 CCSCC(=O)CC(=O)NCO 1458a_100000230394_100000185155 [0,1,0,0,0,0|2,1,0]=4 629 B11R0.5 COCCC(=O)CC(=O)NCO 1458a_100000749529_100000185155 [0,1,0,0,0,0|3,0,0]=4 630 B11R0.5 CSCCC(=O)CC(=O)NCO 1458a_100000174002_100000185155 [0,1,0,0,0,0|3,0,0]=4 631 B11R0.177 C#CCC(=O)C(C)C(=O)OCC 1458a_100011220946_100011216346 [0,1,0,0,0,0|1,0,2]=4 632 B11R0.177 C#CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000184674 [0,1,0,0,0,0|1,0,2]=4 633 B11R0.177 C#CCC(=O)C(F)C(=O)OCC 1458a_100011220946_100000760018 [0,1,0,0,0,0|1,0,2]=4 634 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100000210193_100011216346 [0,1,0,0,0,0|1,0,2]=4 635 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210623 [0,1,0,0,0,0|1,0,2]=4 636 B11R0.177 C=CCC(=O)C(F)C(=O)OCC 1458a_100000210193_100000760018 [0,1,0,0,0,0|1,0,2]=4 637 B11R0.177 CC#CC(=O)C(C)C(=O)NCC 1458a_100000763181_100000230173 [0,1,0,0,0,0|2,0,1]=4 638 B11R0.177 CC#CC(=O)C(C)C(=O)OCC 1458a_100000763181_100011216346 [0,1,0,0,0,0|1,0,1]=3 639 B11R0.177 CC#CC(=O)C(F)C(=O)OCC 1458a_100000763181_100000760018 [0,1,0,0,0,0|1,0,1]=3 640 B11R0.177 CC=CC(=O)C(C)C(=O)NCC 1458a_100000210699_100000230173 [0,1,0,0,0,0|2,0,1]=4 641 B11R0.177 CC=CC(=O)C(C)C(=O)OCC 1458a_100000210699_100011216346 [0,1,0,0,0,0|1,0,1]=3 642 B11R0.177 CC=CC(=O)C(F)C(=O)OCC 1458a_100000210699_100000760018 [0,1,0,0,0,0|1,0,1]=3 643 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,1,0,0,0,0|2,0,0]=3 644 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,1,0,0,0,0|1,0,0]=2 645 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,1,0,0,0,0|1,0,0]=2 646 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,1,0,0,0,0|1,0,0]=2 647 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [0,1,0,0,0,0|3,0,0]=4 648 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [0,1,0,0,0,0|3,0,0]=4 649 B11R0.177 CCCN(C)C(F)C(=O)OCC 2230a_100000747261_100000760018 [0,1,0,0,0,0|3,0,0]=4 650 B11R0.177 CCCN(C)C(F)C(=O)OCC 269982a_100000747261_100000760018 [0,1,0,0,0,0|3,0,0]=4 651 B11R0.177 CCNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000230173 [0,1,0,0,0,0|3,0,0]=4 652 B11R0.177 CCNC(=O)C(C)C(=O)COC 1458a_100000210968_100000230173 [0,1,0,0,0,0|3,0,0]=4 653 B11R0.177 CCNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000230173 [0,1,0,0,0,0|3,0,0]=4 654 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,1,0,0,0,0|1,0,0]=2 655 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,1,0,0,0,0|1,0,0]=2 656 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,1,0,0,0,0|1,0,0]=2 657 B11R0.177 CCOC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100011216346 [0,1,0,0,0,0|2,0,1]=4 658 B11R0.177 CCOC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100011216346 [0,1,0,0,0,0|2,0,1]=4 659 B11R0.177 CCOC(=O)C(C)C(=O)C=CI 1458a_100016256311_100011216346 [0,1,0,0,0,0|2,0,1]=4 660 B11R0.177 CCOC(=O)C(C)C(=O)CC#N 1458a_100051588842_100011216346 [0,1,0,0,0,0|2,0,1]=4 661 B11R0.177 CCOC(=O)C(C)C(=O)CC#N 1458a_100132301724_100011214920 [0,1,0,0,0,0|2,0,1]=4 662 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,1,0,0,0,0|2,0,0]=3 663 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,1,0,0,0,0|2,0,0]=3 664 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,1,0,0,0,0|2,0,0]=3 665 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,1,0,0,0,0|2,0,0]=3 666 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,1,0,0,0,0|2,0,0]=3 667 B11R0.177 CCOC(=O)C(C)C(=O)NNC 22a_100016993582_100132301724 [0,1,0,0,0,0|2,0,0]=3 668 B11R0.177 CCOC(=O)C(F)C(=O)C=CBr 1458a_100016273825_100000760018 [0,1,0,0,0,0|2,0,1]=4 669 B11R0.177 CCOC(=O)C(F)C(=O)C=CCl 1458a_200016279998_100000760018 [0,1,0,0,0,0|2,0,1]=4 670 B11R0.177 CCOC(=O)C(F)C(=O)C=CI 1458a_100016256311_100000760018 [0,1,0,0,0,0|2,0,1]=4 671 B11R0.177 CCOC(=O)C(F)C(=O)CC#N 1458a_100051588842_100000760018 [0,1,0,0,0,0|2,0,1]=4 672 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,1,0,0,0,0|2,0,0]=3 673 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,1,0,0,0,0|2,0,0]=3 674 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,1,0,0,0,0|2,0,0]=3 675 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,1,0,0,0,0|1,0,2]=4 676 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,1,0,0,0,0|1,0,2]=4 677 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [0,1,0,0,0,0|3,0,0]=4 678 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [0,1,0,0,0,0|3,0,0]=4 679 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [0,1,0,0,0,0|3,0,0]=4 680 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [0,1,0,0,0,0|3,0,0]=4 681 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [0,1,0,0,0,0|3,0,0]=4 682 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [0,1,0,0,0,0|3,0,0]=4 683 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [0,1,0,0,0,0|3,0,0]=4 684 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,1,0,0,0,0|1,0,1]=3 685 B11R0.182 CCOC(=O)C[C@@H](CCl)OCF 7a_100000688340_100015361967 [0,1,0,0,0,0|2,0,1]=4 686 B11R0.187 C#CC(C)C(=O)CC(=O)OCC 1458a_100000243816_200000035995 [0,1,0,0,0,0|1,0,2]=4 687 B11R0.187 C/C=C(\C)/C(=O)CC(=O)CCC 1458a_100020587367_100000747444 [0,1,0,0,0,0|2,0,1]=4 688 B11R0.187 C/C=C(\C)/C(=O)CC(=O)NCC 1458a_100020587367_100000183381 [0,1,0,0,0,0|2,0,1]=4 689 B11R0.187 C/C=C(\C)/C(=O)CC(=O)OCC 1458a_100020587367_100000188475 [0,1,0,0,0,0|1,0,1]=3 690 B11R0.187 C=C(CC(=O)OCC)C(=O)NC 1626a_100102657272_200000043866 [0,1,0,0,0,0|3,0,0]=4 691 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,1,0,0,0,0|3,0,0]=4 692 B11R0.187 C=C(CCC)CC(=O)N(C)CC 11a_100000225621_100000138376 [0,1,0,0,0,0|3,0,0]=4 693 B11R0.187 C=C(CCC)CC(=O)N(C)CC 240690a_100000225621_100000138376 [0,1,0,0,0,0|3,0,0]=4 694 B11R0.187 C=C(CCC)CC(=O)N(C)CC 527a_100000225621_100000138376 [0,1,0,0,0,0|3,0,0]=4 695 B11R0.187 C=CC(C)C(=O)CC(=O)OCC 1458a_100011216780_100000188475 [0,1,0,0,0,0|1,0,2]=4 696 B11R0.187 C=COC(=O)CC(=O)C(C)CC 1458a_100011192722_100000036128 [0,1,0,0,0,0|1,0,2]=4 697 B11R0.187 C=COC(=O)CC(=O)C(O)CC 1458a_100011196387_100000036128 [0,1,0,0,0,0|1,0,2]=4 698 B11R0.187 CC#CC(=O)CC(=O)N(C)CC 1458a_100000763181_100011894763 [0,1,0,0,0,0|2,0,1]=4 699 B11R0.187 CC=CC(=O)CC(=O)N(C)CC 1458a_100000210699_100011894763 [0,1,0,0,0,0|2,0,1]=4 700 B11R0.187 CCC(C)C(=O)CC(=O)NCO 1458a_100011192722_100000185155 [0,1,0,0,0,0|3,0,0]=4 701 B11R0.187 CCC(O)C(=O)CC(=O)NCO 1458a_100011196387_100000185155 [0,1,0,0,0,0|3,0,0]=4 702 B11R0.187 CCCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747444 [0,1,0,0,0,0|3,0,0]=4 703 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,1,0,0,0,0|2,0,0]=3 704 B11R0.187 CCCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747444 [0,1,0,0,0,0|3,0,0]=4 705 B11R0.187 CCCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747444 [0,1,0,0,0,0|3,0,0]=4 706 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,1,0,0,0,0|2,0,0]=3 707 B11R0.187 CCCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747444 [0,1,0,0,0,0|3,0,0]=4 708 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [0,1,0,0,0,0|2,0,0]=3 709 B11R0.187 CCCC(=O)CC(=O)N(C)OC 1458a_100000211992_100000764215 [0,1,0,0,0,0|3,0,0]=4 710 B11R0.187 CCCS(=O)CC(=O)C(C)CC 1458a_100011387404_100000758301 [0,1,0,0,0,0|3,0,0]=4 711 B11R0.187 CCCS(=O)CC(=O)N(C)CC 11a_100000225621_100011387404 [0,1,0,0,0,0|3,0,0]=4 712 B11R0.187 CCCS(=O)CC(=O)N(C)CC 1626a_100000225621_100011387404 [0,1,0,0,0,0|3,0,0]=4 713 B11R0.187 CCCS(=O)CC(=O)N(C)CC 240690a_100000225621_100011387404 [0,1,0,0,0,0|3,0,0]=4 714 B11R0.187 CCCS(=O)CC(=O)N(C)CC 527a_100000225621_100011387404 [0,1,0,0,0,0|3,0,0]=4 715 B11R0.187 CCN(C)C(=O)CC(=O)CCO 1458a_100011216618_100011894763 [0,1,0,0,0,0|3,0,0]=4 716 B11R0.187 CCN(C)C(=O)CC(=O)COC 1458a_100000210968_100011894763 [0,1,0,0,0,0|3,0,0]=4 717 B11R0.187 CCN(C)C(=O)CC(=O)CSC 1458a_100000184570_100011894763 [0,1,0,0,0,0|3,0,0]=4 718 B11R0.187 CCNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183381 [0,1,0,0,0,0|3,0,0]=4 719 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,1,0,0,0,0|2,0,0]=3 720 B11R0.187 CCNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183381 [0,1,0,0,0,0|3,0,0]=4 721 B11R0.187 CCNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183381 [0,1,0,0,0,0|3,0,0]=4 722 B11R0.187 CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183381 [0,1,0,0,0,0|2,0,0]=3 723 B11R0.187 CCNC(=O)CC(=O)C(O)CO 1458a_100011215603_100000183381 [0,1,0,0,0,0|3,0,0]=4 724 B11R0.187 CCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000188475 [0,1,0,0,0,0|2,0,0]=3 725 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000243816_100000703298 [0,1,0,0,0,0|2,0,1]=4 726 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000188475 [0,1,0,0,0,0|2,0,1]=4 727 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,1,0,0,0,0|1,0,0]=2 728 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,1,0,0,0,0|1,0,0]=2 729 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,1,0,0,0,0|2,0,0]=3 730 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,1,0,0,0,0|2,0,0]=3 731 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,1,0,0,0,0|2,0,0]=3 732 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,1,0,0,0,0|2,0,0]=3 733 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,1,0,0,0,0|2,0,0]=3 734 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,1,0,0,0,0|2,0,0]=3 735 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,1,0,0,0,0|1,0,0]=2 736 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,1,0,0,0,0|2,0,0]=3 737 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,1,0,0,0,0|1,0,0]=2 738 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,1,0,0,0,0|2,0,1]=4 739 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,1,0,0,0,0|2,0,1]=4 740 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,1,0,0,0,0|2,0,1]=4 741 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [0,1,0,0,0,0|3,0,0]=4 742 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [0,1,0,0,0,0|3,0,0]=4 743 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [0,1,0,0,0,0|3,0,0]=4 744 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [0,1,0,0,0,0|3,0,0]=4 745 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,1,0,0,0,0|3,0,0]=4 746 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,1,0,0,0,0|3,0,0]=4 747 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,1,0,0,0,0|3,0,0]=4 748 B11R0.353 CCCC(=O)C[Si](C)(C)OCC 1458a_100000211992_200000065227 [0,1,0,0,0,0|2,1,0]=4 749 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 270084a_100015525214_100000738689 [0,1,0,0,0,0|2,0,0]=3 750 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 274078a_100015525214_100000738689 [0,1,0,0,0,0|2,0,0]=3 751 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,1,0,0,0,0|1,0,1]=3 752 B11R0.353 CCOC(=O)CC(C)(C)OCF 7a_100000765344_100015361967 [0,1,0,0,0,0|2,0,1]=4 753 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,1,0,0|3,0,0]=4 754 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,0|2,0,1]=4 755 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,0,0,1,0,0|1,0,2]=4 756 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,0,0,1,0,0|3,0,0]=4 757 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,0,0,1,0,0|3,0,0]=4 758 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,0,0,1,0,0|3,0,0]=4 759 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,0,0,1,0,0|3,0,0]=4 760 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,0,0,1,0,0|3,0,0]=4 761 B11R1.34 CCOc1cc(oc(=O)c1)C 34a_100000210952_100000210202 [0,0,0,1,0,0|1,0,2]=4 762 B11R1.34 CCOc1cc(oc(=O)c1)C 7a_100000210952_100000210202 [0,0,0,1,0,0|1,0,2]=4 763 B11R1.199 C#CCC(=O)C1CCOC1=O 1458a_100011220946_100000211211 [0,0,0,1,0,0|1,0,2]=4 764 B11R1.199 C=CCC(=O)C1CCOC1=O 1458a_100000210193_100000211211 [0,0,0,1,0,0|1,0,2]=4 765 B11R1.199 CC#CC(=O)C1CCCC1=O 1458a_100000763181_100000211823 [0,0,0,1,0,0|2,0,1]=4 766 B11R1.199 CC#CC(=O)C1CCOC1=O 1458a_100000763181_100000211211 [0,0,0,1,0,0|1,0,1]=3 767 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [0,0,0,1,0,0|2,0,1]=4 768 B11R1.199 CC=CC(=O)C1CCOC1=O 1458a_100000210699_100000211211 [0,0,0,1,0,0|1,0,1]=3 769 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,0,0,1,0,0|2,0,0]=3 770 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,0,0,1,0,0|1,0,0]=2 771 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,0,0,1,0,0|3,0,0]=4 772 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,0,0,1,0,0|3,0,0]=4 773 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,0,0,1,0,0|3,0,0]=4 774 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,0,0,1,0,0|3,0,0]=4 775 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,0,0,1,0,0|3,0,0]=4 776 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,0,0,1,0,0|3,0,0]=4 777 B11R1.199 COCC(=O)C1CCCC1=O 1458a_100000210968_100000211823 [0,0,0,1,0,0|3,0,0]=4 778 B11R1.199 COCC(=O)C1CCOC1=O 1458a_100000210968_100000211211 [0,0,0,1,0,0|2,0,0]=3 779 B11R1.199 CSCC(=O)C1CCCC1=O 1458a_100000184570_100000211823 [0,0,0,1,0,0|3,0,0]=4 780 B11R1.199 CSCC(=O)C1CCOC1=O 1458a_100000184570_100000211211 [0,0,0,1,0,0|2,0,0]=3 781 B11R1.199 N#CCC(=O)C1CCOC1=O 1458a_100051588842_100000211211 [0,0,0,1,0,0|2,0,1]=4 782 B11R1.199 O=C(C=CBr)C1CCOC1=O 1458a_100016273825_100000211211 [0,0,0,1,0,0|2,0,1]=4 783 B11R1.199 O=C(C=CCl)C1CCOC1=O 1458a_200016279998_100000211211 [0,0,0,1,0,0|2,0,1]=4 784 B11R1.199 O=C(C=CI)C1CCOC1=O 1458a_100016256311_100000211211 [0,0,0,1,0,0|2,0,1]=4 785 B11R1.199 O=C(CCO)C1CCCC1=O 1458a_100011216618_100000211823 [0,0,0,1,0,0|3,0,0]=4 786 B11R1.199 O=C(CCO)C1CCOC1=O 1458a_100011216618_100000211211 [0,0,0,1,0,0|2,0,0]=3 787 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,0,0,1,0,0|3,0,0]=4 788 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,0,0,1,0,0|3,0,0]=4 789 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,0,0,1,0,0|3,0,0]=4 790 B11R1.334 C=COC(=O)CC(=O)C1CC1 1458a_100000210395_100000036128 [0,0,0,1,0,0|1,0,2]=4 791 B11R1.334 CC#CC(=O)CC(=O)C1CC1 1458a_100000763181_100000746382 [0,0,0,1,0,0|2,0,1]=4 792 B11R1.334 CC=CC(=O)CC(=O)C1CC1 1458a_100000210699_100000746382 [0,0,0,1,0,0|2,0,1]=4 793 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,0,0,1,0,0|2,0,0]=3 794 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,0,0,1,0,0|2,0,0]=3 795 B11R1.334 CCCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747444 [0,0,0,1,0,0|3,0,0]=4 796 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,0,0,1,0,0|2,0,0]=3 797 B11R1.334 CCNC(=O)CC(=O)C1CO1 1458a_100000701028_100000183381 [0,0,0,1,0,0|3,0,0]=4 798 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,0,0,1,0,0|1,0,0]=2 799 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,0,0,1,0,0|2,0,0]=3 800 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,0,0,1,0,0|3,0,0]=4 801 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,0,0,1,0,0|3,0,0]=4 802 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,0,0,1,0,0|3,0,0]=4 803 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,0,0,1,0,0|3,0,0]=4 804 B11R1.334 COCC(=O)CC(=O)C1CC1 1458a_100000210968_100000746382 [0,0,0,1,0,0|3,0,0]=4 805 B11R1.334 CSCC(=O)CC(=O)C1CC1 1458a_100000184570_100000746382 [0,0,0,1,0,0|3,0,0]=4 806 B11R1.334 O=C(CC(=O)C1CC1)NCO 1458a_100000210395_100000185155 [0,0,0,1,0,0|3,0,0]=4 807 B11R1.334 O=C(CCO)CC(=O)C1CC1 1458a_100011216618_100000746382 [0,0,0,1,0,0|3,0,0]=4 808 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,0,0,0,1,0|3,0,0]=4 809 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,0,0,0,1,0|3,0,0]=4 810 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,0,0,0,1,0|3,0,0]=4 811 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,0,0,0,1,0|3,0,0]=4 812 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,0,0,0,1,0|3,0,0]=4 813 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,0,0,0,1,0|3,0,0]=4 814 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,0,0,0,1,0|3,0,0]=4 815 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,0,0,0,1,0|3,0,0]=4 816 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,0,0,0,1,0|3,0,0]=4 817 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,0,0,0,1,0|3,0,0]=4 818 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,0,0,0,1,0|3,0,0]=4 819 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,0,0,0,1,0|2,0,0]=3 820 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,0,0,0,1,0|2,0,1]=4 821 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,0,0,0,1,0|3,0,0]=4 822 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,0,0,0,1,0|3,0,0]=4 823 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,0,0,0,1,0|2,0,0]=3 824 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,0,0,0,1,0|2,0,0]=3 825 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,0,0,0,1,0|3,0,0]=4 826 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,0,0,0,1,0|1,0,0]=2 827 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,0,0,0,1,0|1,0,0]=2 828 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,0,0,0,1,0|2,0,1]=4 829 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,0,0,0,1,0|2,0,1]=4 830 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,0,0,0,1,0|2,0,1]=4 831 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,0,0,0,1,0|2,0,1]=4 832 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,0,0,0,1,0|2,0,1]=4 833 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,0,0,0,1,0|2,0,1]=4 834 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,0,0,0,1,0|2,0,0]=3 835 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,0,0,0,1,0|2,0,0]=3 836 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,0,0,0,1,0|2,0,0]=3 837 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,0,0,0,1,0|2,0,0]=3 838 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,0,0,0,1,0|1,0,1]=3 839 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,0,0,0,1,0|1,1,1]=4 840 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,0,0,0,1,0|1,1,1]=4 841 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,0,0,0,1,0|1,0,1]=3 842 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,0,0,0,1,0|1,1,1]=4 843 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,0,0,0,1,0|1,1,1]=4 844 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,0,0,0,1,0|1,0,1]=3 845 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,0,0,0,1,0|2,0,1]=4 846 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,0,0,0,0,1|1,0,2]=4 847 B11R0.62 C#CCC(=O)CNC(=O)OCC 1458a_100000190774_100000184674 [0,0,0,0,0,1|1,0,2]=4 848 B11R0.62 C#CCC(=O)NCC(=O)OCC 188690a_100000741813_100011220946 [0,0,0,0,0,1|1,0,2]=4 849 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,0,0,0,0,1|1,0,2]=4 850 B11R0.62 C=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000210623 [0,0,0,0,0,1|1,0,2]=4 851 B11R0.62 C=CCC(=O)NCC(=O)OCC 188690a_100000741813_100000210193 [0,0,0,0,0,1|1,0,2]=4 852 B11R0.62 CC#CC(=O)COC(=O)CCC 1458a_100000763181_100000034017 [0,0,0,0,0,1|2,0,1]=4 853 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,0,0,0,0,1|2,0,1]=4 854 B11R0.62 CC=CC(=O)NCC(=O)NCC 11a_100016988866_100000210699 [0,0,0,0,0,1|2,0,1]=4 855 B11R0.62 CC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000210699 [0,0,0,0,0,1|2,0,1]=4 856 B11R0.62 CC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000210699 [0,0,0,0,0,1|2,0,1]=4 857 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [0,0,0,0,0,1|1,0,1]=3 858 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,0,0,0,0,1|1,0,1]=3 859 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,0,0,0,0,1|2,0,0]=3 860 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,0,0,0,0,1|1,0,0]=2 861 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,0,0,0,0,1|1,0,0]=2 862 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,0,0,0,0,1|2,0,0]=3 863 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,0,0,0,0,1|2,0,0]=3 864 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,0,0,0,0,1|2,0,0]=3 865 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,0,0,0,0,1|2,0,0]=3 866 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,0,0,0,0,1|2,0,0]=3 867 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,0,0,0,0,1|1,0,0]=2 868 B11R0.62 CCCC(=O)NNC(=O)CCC 22a_100000189770_100000211992 [0,0,0,0,0,1|3,0,0]=4 869 B11R0.62 CCCC(=O)NNC(=O)NCC 273464a_100015525214_100000189770 [0,0,0,0,0,1|3,0,0]=4 870 B11R0.62 CCCC(=O)NNC(=O)NCC 512a_100000189770_100015525214 [0,0,0,0,0,1|3,0,0]=4 871 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,0,0,0,0,1|3,0,0]=4 872 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,0,0,0,0,1|3,0,0]=4 873 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,0,0,0,0,1|3,0,0]=4 874 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,0,0,0,0,1|2,0,1]=4 875 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,0,0,0,0,1|2,0,1]=4 876 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,0,0,0,0,1|2,0,1]=4 877 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,0,0,0,0,1|2,0,1]=4 878 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,0,0,0,0,1|2,0,1]=4 879 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,0,0,0,0,1|3,0,0]=4 880 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,0,0,0,0,1|3,0,0]=4 881 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,0,0,0,0,1|3,0,0]=4 882 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,0,0,0,0,1|3,0,0]=4 883 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [0,0,0,0,0,1|1,0,1]=3 884 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,0,0,0,0,1|3,0,0]=4 885 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,0,0,0,0,1|3,0,0]=4 886 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,0,0,0,0,1|2,0,0]=3 887 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,0,0,0,0,1|2,0,0]=3 888 B11R0.62 CCNC(=O)CCC(=O)NNC 22a_100016993582_100000199579 [0,0,0,0,0,1|3,0,0]=4 889 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,0,0,0,0,1|1,0,0]=2 890 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,0,0,0,0,1|1,0,0]=2 891 B11R0.62 CCNC(=O)CNC(=O)CCO 240690a_100016988866_100011216618 [0,0,0,0,0,1|3,0,0]=4 892 B11R0.62 CCNC(=O)CNC(=O)COC 11a_100016988866_100000210968 [0,0,0,0,0,1|3,0,0]=4 893 B11R0.62 CCNC(=O)CNC(=O)COC 1626a_100016988866_100000210968 [0,0,0,0,0,1|3,0,0]=4 894 B11R0.62 CCNC(=O)CNC(=O)COC 240690a_100016988866_100000210968 [0,0,0,0,0,1|3,0,0]=4 895 B11R0.62 CCNC(=O)CNC(=O)COC 527a_100016988866_100000210968 [0,0,0,0,0,1|3,0,0]=4 896 B11R0.62 CCNC(=O)CNC(=O)CSC 11a_100016988866_100000184570 [0,0,0,0,0,1|3,0,0]=4 897 B11R0.62 CCNC(=O)CNC(=O)CSC 1626a_100016988866_100000184570 [0,0,0,0,0,1|3,0,0]=4 898 B11R0.62 CCNC(=O)CNC(=O)CSC 240690a_100016988866_100000184570 [0,0,0,0,0,1|3,0,0]=4 899 B11R0.62 CCNC(=O)CNC(=O)CSC 527a_100016988866_100000184570 [0,0,0,0,0,1|3,0,0]=4 900 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100015525214_100016988866 [0,0,0,0,0,1|2,0,0]=3 901 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100016988866_100015525214 [0,0,0,0,0,1|2,0,0]=3 902 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100015525214_100016988866 [0,0,0,0,0,1|2,0,0]=3 903 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100016988866_100015525214 [0,0,0,0,0,1|2,0,0]=3 904 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100015525214_100016988866 [0,0,0,0,0,1|2,0,0]=3 905 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100016988866_100015525214 [0,0,0,0,0,1|2,0,0]=3 906 B11R0.62 CCNC(=O)CNC(=O)NNC 273464a_100016988866_100016993582 [0,0,0,0,0,1|3,0,0]=4 907 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016988866_100016993582 [0,0,0,0,0,1|3,0,0]=4 908 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016993582_100016988866 [0,0,0,0,0,1|3,0,0]=4 909 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,0,0,0,0,1|1,0,0]=2 910 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,0,0,0,0,1|1,0,0]=2 911 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,0,0,0,0,1|1,0,0]=2 912 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,0,0,0,0,1|2,0,1]=4 913 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [0,0,0,0,0,1|2,0,1]=4 914 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [0,0,0,0,0,1|2,0,1]=4 915 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,0,0,0,0,1|2,0,1]=4 916 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,0,0,0,0,1|2,0,0]=3 917 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,0,0,0,0,1|2,0,0]=3 918 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,0,0,0,0,1|1,0,1]=3 919 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,0,0,0,0,1|1,1,1]=4 920 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,0,0,0,0,1|1,1,1]=4 921 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,0,0,0,0,1|2,0,0]=3 922 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,0,0,0,0,1|2,0,0]=3 923 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,0,0,0,0,1|2,0,0]=3 924 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,0,0,0,0,1|2,0,0]=3 925 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,0,0,0,0,1|2,0,0]=3 926 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,0,0,0,0,1|2,0,0]=3 927 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,0,0,0,0,1|2,0,0]=3 928 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,0,0,0,0,1|2,0,0]=3 929 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,0,0,0,0,1|2,0,0]=3 930 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,0,0,0,0,1|2,0,0]=3 931 B11R0.62 CCOC(=O)NCC(=O)CC#N 1458a_100000190774_100011214920 [0,0,0,0,0,1|2,0,1]=4 932 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,0,0,0,0,1|2,0,0]=3 933 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,0,0,0,0,1|2,0,0]=3 934 B11R0.62 CCOC(=O)NCC(=O)NNC 22a_100016993582_100000190774 [0,0,0,0,0,1|2,0,0]=3 935 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [2,0,0,0,0,0|1,0,1]=4 936 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [2,0,0,0,0,0|0,0,2]=4 937 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [2,0,0,0,0,0|1,0,1]=4 938 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [2,0,0,0,0,0|1,0,1]=4 939 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [2,0,0,0,0,0|1,0,1]=4 940 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [2,0,0,0,0,0|1,0,1]=4 941 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [2,0,0,0,0,0|1,0,1]=4 942 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [2,0,0,0,0,0|1,0,1]=4 943 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [2,0,0,0,0,0|1,0,1]=4 944 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [2,0,0,0,0,0|1,0,1]=4 945 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [2,0,0,0,0,0|1,0,1]=4 946 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|1,0,1]=4 947 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|1,0,1]=4 948 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|2,0,0]=4 949 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|1,0,0]=3 950 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|1,1,0]=4 951 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|1,1,0]=4 952 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|1,1,0]=4 953 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|1,0,1]=4 954 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|1,0,1]=4 955 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 956 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 957 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 958 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [2,0,0,0,0,0|1,0,1]=4 959 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|1,0,1]=4 960 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|1,0,1]=4 961 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|1,0,1]=4 962 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|1,0,0]=3 963 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|1,0,0]=3 964 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|1,0,0]=3 965 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|1,0,0]=3 966 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|1,1,0]=4 967 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|1,1,0]=4 968 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|1,1,0]=4 969 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|1,1,0]=4 970 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|1,1,0]=4 971 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 972 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 973 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|1,0,0]=3 974 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|1,0,1]=4 975 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|1,0,1]=4 976 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|1,0,1]=4 977 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|0,0,1]=3 978 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|0,1,1]=4 979 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|0,1,1]=4 980 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|0,1,1]=4 981 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|0,1,1]=4 982 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|0,1,0]=3 983 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|0,1,0]=3 984 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [2,0,0,0,0,0|1,1,0]=4 985 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [2,0,0,0,0,0|1,1,0]=4 986 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [2,0,0,0,0,0|2,0,0]=4 987 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [2,0,0,0,0,0|2,0,0]=4 988 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [2,0,0,0,0,0|2,0,0]=4 989 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [2,0,0,0,0,0|2,0,0]=4 990 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|0,0,0]=2 991 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [2,0,0,0,0,0|1,0,1]=4 992 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [2,0,0,0,0,0|1,0,1]=4 993 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 994 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|1,0,1]=4 995 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 996 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|0,0,2]=4 997 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|0,0,2]=4 998 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|0,0,2]=4 999 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|1,0,0]=3 1000 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [2,0,0,0,0,0|2,0,0]=4 1001 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [2,0,0,0,0,0|2,0,0]=4 1002 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [2,0,0,0,0,0|2,0,0]=4 1003 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [2,0,0,0,0,0|2,0,0]=4 1004 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [2,0,0,0,0,0|2,0,0]=4 1005 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|1,0,0]=3 1006 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [2,0,0,0,0,0|2,0,0]=4 1007 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|1,0,1]=4 1008 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|1,0,1]=4 1009 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|1,0,1]=4 1010 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|1,0,1]=4 1011 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|2,0,0]=4 1012 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|2,0,0]=4 1013 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|2,0,0]=4 1014 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|2,0,0]=4 1015 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|2,0,0]=4 1016 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|2,0,0]=4 1017 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|2,0,0]=4 1018 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|2,0,0]=4 1019 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,1]=4 1020 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [2,0,0,0,0,0|0,0,1]=3 1021 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [2,0,0,0,0,0|1,0,1]=4 1022 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [2,0,0,0,0,0|1,0,1]=4 1023 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [2,0,0,0,0,0|1,0,1]=4 1024 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [2,0,0,0,0,0|1,0,1]=4 1025 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|0,0,1]=3 1026 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|0,0,1]=3 1027 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|1,0,1]=4 1028 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|1,0,1]=4 1029 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|1,0,1]=4 1030 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|1,0,1]=4 1031 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|1,0,1]=4 1032 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|1,0,1]=4 1033 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|1,0,1]=4 1034 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|1,0,1]=4 1035 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|0,0,1]=3 1036 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|0,1,1]=4 1037 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|0,1,1]=4 1038 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|0,1,1]=4 1039 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|0,1,1]=4 1040 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [2,0,0,0,0,0|2,0,0]=4 1041 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [2,0,0,0,0,0|2,0,0]=4 1042 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [2,0,0,0,0,0|2,0,0]=4 1043 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [2,0,0,0,0,0|0,0,2]=4 1044 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [2,0,0,0,0,0|2,0,0]=4 1045 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [2,0,0,0,0,0|1,0,0]=3 1046 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [2,0,0,0,0,0|2,0,0]=4 1047 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [2,0,0,0,0,0|2,0,0]=4 1048 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [2,0,0,0,0,0|1,0,1]=4 1049 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [2,0,0,0,0,0|2,0,0]=4 1050 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [2,0,0,0,0,0|2,0,0]=4 1051 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [2,0,0,0,0,0|1,0,0]=3 1052 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [2,0,0,0,0,0|2,0,0]=4 1053 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [2,0,0,0,0,0|2,0,0]=4 1054 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [2,0,0,0,0,0|0,0,0]=2 1055 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [2,0,0,0,0,0|0,0,0]=2 1056 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [2,0,0,0,0,0|0,0,0]=2 1057 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [2,0,0,0,0,0|2,0,0]=4 1058 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 1059 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 1060 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [2,0,0,0,0,0|2,0,0]=4 1061 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [2,0,0,0,0,0|0,0,2]=4 1062 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [2,0,0,0,0,0|0,0,2]=4 1063 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [2,0,0,0,0,0|0,0,2]=4 1064 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [2,0,0,0,0,0|0,0,2]=4 1065 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [2,0,0,0,0,0|1,0,1]=4 1066 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [2,0,0,0,0,0|0,0,0]=2 1067 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [2,0,0,0,0,0|1,0,0]=3 1068 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [2,0,0,0,0,0|1,0,0]=3 1069 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [2,0,0,0,0,0|0,0,0]=2 1070 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [2,0,0,0,0,0|0,0,0]=2 1071 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [2,0,0,0,0,0|1,0,1]=4 1072 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [2,0,0,0,0,0|1,0,1]=4 1073 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [2,0,0,0,0,0|0,0,2]=4 1074 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [2,0,0,0,0,0|0,0,2]=4 1075 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [2,0,0,0,0,0|2,0,0]=4 1076 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [2,0,0,0,0,0|2,0,0]=4 1077 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [2,0,0,0,0,0|1,0,1]=4 1078 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [2,0,0,0,0,0|2,0,0]=4 1079 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [2,0,0,0,0,0|2,0,0]=4 1080 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [2,0,0,0,0,0|2,0,0]=4 1081 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [2,0,0,0,0,0|2,0,0]=4 1082 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [2,0,0,0,0,0|1,0,0]=3 1083 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [2,0,0,0,0,0|1,0,0]=3 1084 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [2,0,0,0,0,0|1,0,0]=3 1085 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [2,0,0,0,0,0|1,0,1]=4 1086 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [1,1,0,0,0,0|0,0,2]=4 1087 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [1,1,0,0,0,0|0,0,2]=4 1088 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|2,0,0]=4 1089 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,1,0,0,0,0|2,0,0]=4 1090 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,1,0,0,0,0|2,0,0]=4 1091 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,1,0,0,0,0|2,0,0]=4 1092 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,1,0,0,0,0|2,0,0]=4 1093 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,1]=4 1094 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|1,0,1]=4 1095 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|1,0,1]=4 1096 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,1,0,0,0,0|1,0,1]=4 1097 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,1,0,0,0,0|1,0,1]=4 1098 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,1,0,0,0,0|1,0,1]=4 1099 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,1,0,0,0,0|1,0,1]=4 1100 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,1,0,0,0,0|1,0,1]=4 1101 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,1,0,0,0,0|1,0,1]=4 1102 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,1,0,0,0,0|1,0,1]=4 1103 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,1,0,0,0,0|1,0,1]=4 1104 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,1,0,0,0,0|1,0,1]=4 1105 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,1,0,0,0,0|1,0,1]=4 1106 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,1,0,0,0,0|1,0,1]=4 1107 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,1,0,0,0,0|1,0,1]=4 1108 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|1,0,1]=4 1109 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|0,0,1]=3 1110 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,1,0,0,0,0|0,1,1]=4 1111 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,1,0,0,0,0|0,1,1]=4 1112 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,1,0,0,0,0|2,0,0]=4 1113 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [1,1,0,0,0,0|1,0,1]=4 1114 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [1,1,0,0,0,0|1,0,1]=4 1115 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [1,1,0,0,0,0|1,0,1]=4 1116 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,1,0,0,0,0|1,0,1]=4 1117 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,1,0,0,0,0|1,0,1]=4 1118 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,1,0,0,0,0|1,0,1]=4 1119 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,1,0,0,0,0|1,0,1]=4 1120 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,1,0,0,0,0|1,0,1]=4 1121 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,1,0,0,0,0|1,0,1]=4 1122 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [1,1,0,0,0,0|1,0,1]=4 1123 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,1,0,0,0,0|1,0,1]=4 1124 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [1,1,0,0,0,0|1,0,1]=4 1125 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [1,1,0,0,0,0|0,1,1]=4 1126 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [1,1,0,0,0,0|0,1,1]=4 1127 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,1,0,0,0,0|1,0,1]=4 1128 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,1,0,0,0,0|1,0,1]=4 1129 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,1,0,0,0,0|1,0,1]=4 1130 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|1,0,1]=4 1131 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1132 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,1,0,0,0,0|1,0,1]=4 1133 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1134 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,1,0,0,0,0|1,0,1]=4 1135 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,1,0,0,0,0|1,0,1]=4 1136 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,1,0,0,0,0|0,1,1]=4 1137 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,1,0,0,0,0|0,1,1]=4 1138 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,1,0,0,0,0|1,0,1]=4 1139 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,1,0,0,0,0|1,0,1]=4 1140 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,1,0,0,0,0|1,0,1]=4 1141 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,1,0,0,0,0|0,0,1]=3 1142 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,1,0,0,0,0|0,0,1]=3 1143 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,1,0,0,0,0|0,1,1]=4 1144 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,1,0,0,0,0|0,1,1]=4 1145 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,1,0,0,0,0|0,1,1]=4 1146 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,1,0,0,0,0|0,1,1]=4 1147 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,1,0,0,0,0|0,1,1]=4 1148 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,1,0,0,0,0|0,1,1]=4 1149 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,1,0,0,0,0|0,1,1]=4 1150 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,1,0,0,0,0|0,1,1]=4 1151 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,1,0,0,0,0|2,0,0]=4 1152 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,1,0,0,0,0|2,0,0]=4 1153 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,1,0,0,0,0|2,0,0]=4 1154 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,1,0,0,0,0|2,0,0]=4 1155 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,1,0,0,0,0|2,0,0]=4 1156 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,1,0,0,0,0|2,0,0]=4 1157 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,1,0,0,0,0|2,0,0]=4 1158 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,1,0,0,0,0|2,0,0]=4 1159 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,1,0,0,0,0|2,0,0]=4 1160 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,1,0,0,0,0|2,0,0]=4 1161 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,1,0,0,0,0|2,0,0]=4 1162 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,1,0,0,0,0|2,0,0]=4 1163 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,1,0,0,0,0|2,0,0]=4 1164 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,1,0,0,0,0|2,0,0]=4 1165 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,1,0,0,0,0|2,0,0]=4 1166 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,1,0,0,0,0|2,0,0]=4 1167 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,1,0,0,0,0|2,0,0]=4 1168 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,1,0,0,0,0|2,0,0]=4 1169 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,1,0,0,0,0|2,0,0]=4 1170 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,1,0,0,0,0|2,0,0]=4 1171 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,1,0,0,0,0|2,0,0]=4 1172 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,1,0,0,0,0|2,0,0]=4 1173 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,1,0,0,0,0|2,0,0]=4 1174 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,1,0,0,0,0|2,0,0]=4 1175 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,1,0,0,0,0|2,0,0]=4 1176 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,1,0,0,0,0|2,0,0]=4 1177 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,1,0,0,0,0|2,0,0]=4 1178 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,1,0,0,0,0|2,0,0]=4 1179 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,1,0,0,0,0|2,0,0]=4 1180 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [1,1,0,0,0,0|1,0,1]=4 1181 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,1,0,0,0,0|0,1,1]=4 1182 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [1,1,0,0,0,0|0,0,1]=3 1183 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,1,0,0,0,0|0,0,1]=3 1184 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,1,0,0,0,0|0,0,1]=3 1185 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,1,0,0,0,0|0,0,1]=3 1186 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,1,0,0,0,0|0,0,1]=3 1187 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,1,0,0,0,0|0,0,1]=3 1188 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [1,1,0,0,0,0|2,0,0]=4 1189 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,1,0,0,0,0|1,0,1]=4 1190 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [1,1,0,0,0,0|2,0,0]=4 1191 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [1,1,0,0,0,0|2,0,0]=4 1192 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [1,1,0,0,0,0|1,0,1]=4 1193 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [1,1,0,0,0,0|1,0,1]=4 1194 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [1,1,0,0,0,0|0,0,1]=3 1195 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [1,1,0,0,0,0|0,1,1]=4 1196 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [1,1,0,0,0,0|0,1,1]=4 1197 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [1,1,0,0,0,0|2,0,0]=4 1198 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [1,1,0,0,0,0|2,0,0]=4 1199 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 1200 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 1201 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [1,1,0,0,0,0|2,0,0]=4 1202 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,1,0,0,0,0|2,0,0]=4 1203 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [1,1,0,0,0,0|2,0,0]=4 1204 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [1,1,0,0,0,0|2,0,0]=4 1205 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [1,1,0,0,0,0|2,0,0]=4 1206 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [1,1,0,0,0,0|2,0,0]=4 1207 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [1,1,0,0,0,0|2,0,0]=4 1208 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [1,1,0,0,0,0|2,0,0]=4 1209 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [1,1,0,0,0,0|2,0,0]=4 1210 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [1,1,0,0,0,0|2,0,0]=4 1211 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [1,1,0,0,0,0|2,0,0]=4 1212 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [1,1,0,0,0,0|2,0,0]=4 1213 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [1,1,0,0,0,0|2,0,0]=4 1214 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [1,1,0,0,0,0|2,0,0]=4 1215 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [1,1,0,0,0,0|2,0,0]=4 1216 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [1,1,0,0,0,0|2,0,0]=4 1217 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [1,1,0,0,0,0|2,0,0]=4 1218 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [1,1,0,0,0,0|2,0,0]=4 1219 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [1,1,0,0,0,0|2,0,0]=4 1220 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [1,1,0,0,0,0|2,0,0]=4 1221 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [1,1,0,0,0,0|2,0,0]=4 1222 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [1,1,0,0,0,0|2,0,0]=4 1223 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [1,1,0,0,0,0|1,0,1]=4 1224 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [1,1,0,0,0,0|1,0,1]=4 1225 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [1,1,0,0,0,0|1,0,1]=4 1226 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [1,1,0,0,0,0|1,0,1]=4 1227 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [1,1,0,0,0,0|1,0,1]=4 1228 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [1,1,0,0,0,0|1,0,1]=4 1229 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [1,1,0,0,0,0|1,0,1]=4 1230 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [1,1,0,0,0,0|1,0,1]=4 1231 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,1,0,0,0,0|1,0,1]=4 1232 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,1,0,0,0,0|1,0,1]=4 1233 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 1234 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 1235 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 1236 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 1237 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [1,1,0,0,0,0|0,1,1]=4 1238 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [1,1,0,0,0,0|0,1,1]=4 1239 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [1,1,0,0,0,0|0,0,2]=4 1240 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,1,0,0,0,0|2,0,0]=4 1241 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,1,0,0,0,0|2,0,0]=4 1242 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,1,0,0,0,0|2,0,0]=4 1243 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,1,0,0,0,0|2,0,0]=4 1244 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,1,0,0,0,0|2,0,0]=4 1245 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,1,0,0,0,0|2,0,0]=4 1246 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,1,0,0,0,0|2,0,0]=4 1247 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [1,1,0,0,0,0|2,0,0]=4 1248 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [1,1,0,0,0,0|2,0,0]=4 1249 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [1,1,0,0,0,0|2,0,0]=4 1250 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [1,1,0,0,0,0|2,0,0]=4 1251 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [1,1,0,0,0,0|2,0,0]=4 1252 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [1,1,0,0,0,0|2,0,0]=4 1253 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [1,1,0,0,0,0|2,0,0]=4 1254 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [1,1,0,0,0,0|1,0,1]=4 1255 B10R0.83 CCOC=CC(=O)N(C)CC 11a_100000225621_100016266692 [1,1,0,0,0,0|1,0,1]=4 1256 B10R0.83 CCOC=CC(=O)N(C)CC 1626a_100000225621_100016266692 [1,1,0,0,0,0|1,0,1]=4 1257 B10R0.83 CCOC=CC(=O)N(C)CC 240690a_100000225621_100016266692 [1,1,0,0,0,0|1,0,1]=4 1258 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|1,0,1]=4 1259 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|1,0,1]=4 1260 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|1,0,1]=4 1261 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 1262 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 1263 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 1264 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 1265 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,1,0,0,0,0|2,0,0]=4 1266 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [1,1,0,0,0,0|2,0,0]=4 1267 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [1,1,0,0,0,0|2,0,0]=4 1268 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [1,1,0,0,0,0|2,0,0]=4 1269 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [1,1,0,0,0,0|2,0,0]=4 1270 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [1,1,0,0,0,0|2,0,0]=4 1271 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [1,1,0,0,0,0|2,0,0]=4 1272 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [1,1,0,0,0,0|2,0,0]=4 1273 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [1,1,0,0,0,0|2,0,0]=4 1274 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [1,1,0,0,0,0|2,0,0]=4 1275 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [1,1,0,0,0,0|2,0,0]=4 1276 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [1,1,0,0,0,0|2,0,0]=4 1277 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [1,1,0,0,0,0|2,0,0]=4 1278 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [1,1,0,0,0,0|2,0,0]=4 1279 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [1,1,0,0,0,0|2,0,0]=4 1280 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [1,1,0,0,0,0|2,0,0]=4 1281 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,1,0,0,0,0|2,0,0]=4 1282 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [1,1,0,0,0,0|2,0,0]=4 1283 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [1,1,0,0,0,0|2,0,0]=4 1284 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [1,1,0,0,0,0|1,0,0]=3 1285 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [1,1,0,0,0,0|1,1,0]=4 1286 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [1,1,0,0,0,0|2,0,0]=4 1287 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [1,1,0,0,0,0|1,0,1]=4 1288 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [1,1,0,0,0,0|1,0,1]=4 1289 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [1,1,0,0,0,0|2,0,0]=4 1290 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,1,0,0,0,0|1,0,1]=4 1291 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [1,1,0,0,0,0|1,0,1]=4 1292 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|1,0,1]=4 1293 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|1,0,1]=4 1294 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|1,0,1]=4 1295 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|1,0,1]=4 1296 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [1,1,0,0,0,0|1,0,1]=4 1297 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [1,1,0,0,0,0|1,0,1]=4 1298 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [1,1,0,0,0,0|1,0,1]=4 1299 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,1,0,0,0,0|1,0,1]=4 1300 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,1,0,0,0,0|1,0,1]=4 1301 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,1,0,0,0,0|1,0,1]=4 1302 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,1,0,0,0,0|1,0,1]=4 1303 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,1,0,0,0,0|2,0,0]=4 1304 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,1,0,0,0,0|2,0,0]=4 1305 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,1,0,0,0,0|1,0,1]=4 1306 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,1,0,0,0,0|2,0,0]=4 1307 B10R0.91 CCNNC(=O)C=COCC 22a_100000756455_100016266692 [1,1,0,0,0,0|1,0,1]=4 1308 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [1,1,0,0,0,0|1,0,1]=4 1309 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [1,1,0,0,0,0|1,0,1]=4 1310 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [1,1,0,0,0,0|1,0,1]=4 1311 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [1,1,0,0,0,0|1,0,1]=4 1312 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [1,1,0,0,0,0|1,0,1]=4 1313 B10R0.91 CCOC=CC(=O)NCCF 11a_100000724931_100016266692 [1,1,0,0,0,0|1,0,1]=4 1314 B10R0.91 CCOC=CC(=O)NCCF 1626a_100000724931_100016266692 [1,1,0,0,0,0|1,0,1]=4 1315 B10R0.91 CCOC=CC(=O)NCCF 240690a_100000724931_100016266692 [1,1,0,0,0,0|1,0,1]=4 1316 B10R0.91 CCOC=CC(=O)NCCO 240690a_100000210304_100016266692 [1,1,0,0,0,0|1,0,1]=4 1317 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,1,0,0,0,0|0,1,1]=4 1318 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,1,0,0,0,0|1,0,1]=4 1319 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|1,0,1]=4 1320 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,1,0,0,0,0|1,0,1]=4 1321 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,1,0,0,0,0|1,0,1]=4 1322 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,1,0,0,0,0|1,0,1]=4 1323 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,1,0,0,0,0|1,0,1]=4 1324 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,1,0,0,0,0|0,0,1]=3 1325 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,1,0,0,0,0|0,1,1]=4 1326 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 1327 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 1328 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 1329 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 1330 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [1,1,0,0,0,0|1,0,1]=4 1331 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [1,1,0,0,0,0|1,0,1]=4 1332 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [1,1,0,0,0,0|1,0,1]=4 1333 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|1,0,1]=4 1334 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,1,0,0,0,0|1,0,1]=4 1335 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,1,0,0,0,0|1,0,1]=4 1336 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,1,0,0,0,0|1,0,1]=4 1337 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,1,0,0,0,0|1,0,1]=4 1338 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,1,0,0,0,0|1,0,1]=4 1339 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,1,0,0,0,0|1,0,1]=4 1340 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,1,0,0,0,0|1,0,1]=4 1341 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,1,0,0,0,0|1,0,1]=4 1342 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [1,1,0,0,0,0|2,0,0]=4 1343 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,1,0,0,0,0|2,0,0]=4 1344 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,1,0,0,0,0|2,0,0]=4 1345 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,1,0,0,0,0|2,0,0]=4 1346 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,1,0,0,0,0|2,0,0]=4 1347 B10R0.7 CCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210303 [1,1,0,0,0,0|2,0,0]=4 1348 B10R0.7 CCNC(=O)CS(=O)(=O)CC 11a_100015525214_100000744335 [1,1,0,0,0,0|2,0,0]=4 1349 B10R0.7 CCNC(=O)CS(=O)(=O)CC 240690a_100015525214_100000744335 [1,1,0,0,0,0|2,0,0]=4 1350 B10R0.7 CCNC(=O)CS(=O)(=O)CC 527a_100015525214_100000744335 [1,1,0,0,0,0|2,0,0]=4 1351 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [1,1,0,0,0,0|1,0,1]=4 1352 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [1,1,0,0,0,0|1,0,1]=4 1353 B10R0.7 CCOC(=O)CS(=O)(=O)NC 270084a_100102657272_100000738689 [1,1,0,0,0,0|2,0,0]=4 1354 B10R0.7 CCOC(=O)CS(=O)(=O)NC 274078a_100102657272_100000738689 [1,1,0,0,0,0|2,0,0]=4 1355 B10R0.18 C#CC(=O)CC(=O)OCCC 1458a_100000211873_200011215008 [1,1,0,0,0,0|0,0,2]=4 1356 B10R0.18 C#CCCC(=O)CC(=O)CC 1458a_100000692101_100000747405 [1,1,0,0,0,0|1,0,1]=4 1357 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [1,1,0,0,0,0|1,0,1]=4 1358 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [1,1,0,0,0,0|1,0,1]=4 1359 B10R0.18 C#CCNC(=O)CC(=O)OC 240690a_100000212058_100000211351 [1,1,0,0,0,0|1,0,1]=4 1360 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [1,1,0,0,0,0|1,0,1]=4 1361 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [1,1,0,0,0,0|1,0,0]=3 1362 B10R0.18 C=C(CC(=O)CO)OCOC 1458a_100000210174_100000042856 [1,1,0,0,0,0|2,0,0]=4 1363 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [1,1,0,0,0,0|0,0,2]=4 1364 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [1,1,0,0,0,0|1,0,1]=4 1365 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [1,1,0,0,0,0|1,0,1]=4 1366 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [1,1,0,0,0,0|1,0,1]=4 1367 B10R0.18 C=CCNC(=O)CC(=O)CC 1458a_100000210414_100000183597 [1,1,0,0,0,0|1,0,1]=4 1368 B10R0.18 C=CCNC(=O)CC(=O)OC 240690a_100020586998_100000211351 [1,1,0,0,0,0|1,0,1]=4 1369 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [1,1,0,0,0,0|0,0,1]=3 1370 B10R0.18 C=CCOC(=O)CC(=O)CO 1458a_100000210174_100000033060 [1,1,0,0,0,0|1,0,1]=4 1371 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [1,1,0,0,0,0|1,0,1]=4 1372 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [1,1,0,0,0,0|1,0,1]=4 1373 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [1,1,0,0,0,0|1,0,1]=4 1374 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [1,1,0,0,0,0|1,0,1]=4 1375 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [1,1,0,0,0,0|1,0,0]=3 1376 B10R0.18 CCC#CC(=O)CC(=O)NC 1458a_100011827653_100000183359 [1,1,0,0,0,0|2,0,0]=4 1377 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [1,1,0,0,0,0|1,0,0]=3 1378 B10R0.18 CCC(=O)CC(=O)C#CCO 1458a_100000049017_100000747405 [1,1,0,0,0,0|1,0,1]=4 1379 B10R0.18 CCC(=O)CC(=O)C=COC 1458a_100016268678_100000747405 [1,1,0,0,0,0|1,0,1]=4 1380 B10R0.18 CCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747405 [1,1,0,0,0,0|1,0,1]=4 1381 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [1,1,0,0,0,0|1,0,0]=3 1382 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [1,1,0,0,0,0|1,0,0]=3 1383 B10R0.18 CCC(=O)CC(=O)NCC#N 1458a_100000210414_100000736037 [1,1,0,0,0,0|1,0,1]=4 1384 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [1,1,0,0,0,0|1,0,0]=3 1385 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [1,1,0,0,0,0|2,0,0]=4 1386 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [1,1,0,0,0,0|1,0,0]=3 1387 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|1,0,0]=3 1388 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|2,0,0]=4 1389 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|1,0,0]=3 1390 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|1,0,0]=3 1391 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [1,1,0,0,0,0|1,0,0]=3 1392 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [1,1,0,0,0,0|2,0,0]=4 1393 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [1,1,0,0,0,0|1,0,0]=3 1394 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|0,0,0]=2 1395 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [1,1,0,0,0,0|1,0,0]=3 1396 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 1397 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 1398 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|1,0,1]=4 1399 B10R0.18 CCNN=C(C)CC(=O)OC 4a_100000756455_100000210079 [1,1,0,0,0,0|2,0,0]=4 1400 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [1,1,0,0,0,0|1,0,0]=3 1401 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [1,1,0,0,0,0|0,0,0]=2 1402 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [1,1,0,0,0,0|1,0,0]=3 1403 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [1,1,0,0,0,0|0,0,0]=2 1404 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [1,1,0,0,0,0|1,0,1]=4 1405 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [1,1,0,0,0,0|0,0,2]=4 1406 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [1,1,0,0,0,0|1,0,1]=4 1407 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [1,1,0,0,0,0|0,0,2]=4 1408 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [1,1,0,0,0,0|0,1,0]=3 1409 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [1,1,0,0,0,0|1,1,0]=4 1410 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [1,1,0,0,0,0|0,1,0]=3 1411 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [1,1,0,0,0,0|0,1,0]=3 1412 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [1,1,0,0,0,0|0,1,0]=3 1413 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [1,1,0,0,0,0|1,1,0]=4 1414 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [1,1,0,0,0,0|2,0,0]=4 1415 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [1,1,0,0,0,0|2,0,0]=4 1416 B10R0.18 COC(=O)CC(=O)C#CCO 1458a_100000049017_100000747449 [1,1,0,0,0,0|1,0,1]=4 1417 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [1,1,0,0,0,0|1,0,1]=4 1418 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [1,1,0,0,0,0|1,0,1]=4 1419 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [1,1,0,0,0,0|1,0,0]=3 1420 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [1,1,0,0,0,0|1,0,0]=3 1421 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [1,1,0,0,0,0|1,0,0]=3 1422 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [1,1,0,0,0,0|1,0,0]=3 1423 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [1,1,0,0,0,0|1,1,0]=4 1424 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [1,1,0,0,0,0|1,1,0]=4 1425 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [1,1,0,0,0,0|1,0,0]=3 1426 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [1,1,0,0,0,0|1,0,0]=3 1427 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [1,1,0,0,0,0|1,0,1]=4 1428 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [1,1,0,0,0,0|1,0,1]=4 1429 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [1,1,0,0,0,0|1,0,1]=4 1430 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [1,1,0,0,0,0|1,0,0]=3 1431 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [1,1,0,0,0,0|1,0,0]=3 1432 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [1,1,0,0,0,0|1,0,1]=4 1433 B10R0.26 C=C(C)C(=O)CC(=O)NCC 1458a_100000185857_100000183381 [1,1,0,0,0,0|1,0,1]=4 1434 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [1,1,0,0,0,0|0,0,1]=3 1435 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [1,1,0,0,0,0|2,0,0]=4 1436 B10R0.26 C=COC(=O)CC(=O)C(C)C 1458a_100000210198_100000036128 [1,1,0,0,0,0|0,0,2]=4 1437 B10R0.26 C=COC(=O)CC(=O)C(C)F 1458a_100000062450_100000036128 [1,1,0,0,0,0|0,0,2]=4 1438 B10R0.26 C=COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000036128 [1,1,0,0,0,0|0,0,2]=4 1439 B10R0.26 C=COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000036128 [1,1,0,0,0,0|0,0,2]=4 1440 B10R0.26 CC#CC(=O)CC(=O)C(C)C 1458a_100000763181_100000753385 [1,1,0,0,0,0|1,0,1]=4 1441 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [1,1,0,0,0,0|2,0,0]=4 1442 B10R0.26 CC(C)C(=O)CC(=O)NCO 1458a_100000210198_100000185155 [1,1,0,0,0,0|2,0,0]=4 1443 B10R0.26 CC(F)C(=O)CC(=O)NCO 1458a_100000062450_100000185155 [1,1,0,0,0,0|2,0,0]=4 1444 B10R0.26 CC=CC(=O)CC(=O)C(C)C 1458a_100000210699_100000753385 [1,1,0,0,0,0|1,0,1]=4 1445 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [1,1,0,0,0,0|1,0,1]=4 1446 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [1,1,0,0,0,0|1,0,0]=3 1447 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [1,1,0,0,0,0|1,0,0]=3 1448 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [1,1,0,0,0,0|1,0,0]=3 1449 B10R0.26 CCCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747444 [1,1,0,0,0,0|2,0,0]=4 1450 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [1,1,0,0,0,0|2,0,0]=4 1451 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [1,1,0,0,0,0|1,0,0]=3 1452 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [1,1,0,0,0,0|1,0,0]=3 1453 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [1,1,0,0,0,0|2,0,0]=4 1454 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [1,1,0,0,0,0|1,0,0]=3 1455 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [1,1,0,0,0,0|1,0,0]=3 1456 B10R0.26 CCNC(=O)CC(=O)C(O)O 1458a_100000233687_100000183381 [1,1,0,0,0,0|2,0,0]=4 1457 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [1,1,0,0,0,0|1,0,0]=3 1458 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [1,1,0,0,0,0|1,0,0]=3 1459 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [1,1,0,0,0,0|0,0,0]=2 1460 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [1,1,0,0,0,0|0,0,0]=2 1461 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [1,1,0,0,0,0|0,0,0]=2 1462 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [1,1,0,0,0,0|1,0,0]=3 1463 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [1,1,0,0,0,0|1,0,0]=3 1464 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [1,1,0,0,0,0|0,0,0]=2 1465 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [1,1,0,0,0,0|0,0,0]=2 1466 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [1,1,0,0,0,0|2,0,0]=4 1467 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1468 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1469 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [1,1,0,0,0,0|2,0,0]=4 1470 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1471 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [1,1,0,0,0,0|2,0,0]=4 1473 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [1,1,0,0,0,0|2,0,0]=4 1474 B10R0.26 C[C@@H](O)C(=O)CC(=O)NCO 1458a_100000717761_100000185155 [1,1,0,0,0,0|2,0,0]=4 1475 B10R0.26 C[C@H](O)C(=O)CC(=O)NCO 1458a_217856618621_100000185155 [1,1,0,0,0,0|2,0,0]=4 1476 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [1,1,0,0,0,0|1,0,1]=4 1477 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [1,1,0,0,0,0|1,0,1]=4 1478 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [1,1,0,0,0,0|2,0,0]=4 1479 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [1,1,0,0,0,0|2,0,0]=4 1480 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [1,1,0,0,0,0|2,0,0]=4 1481 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [1,1,0,0,0,0|2,0,0]=4 1482 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [1,1,0,0,0,0|2,0,0]=4 1483 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [1,1,0,0,0,0|2,0,0]=4 1484 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [1,1,0,0,0,0|1,0,1]=4 1485 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [1,1,0,0,0,0|1,0,1]=4 1486 B10R0.35 C#CC(=O)C(C)C(=O)OCC 1458a_100000211873_100011216346 [1,1,0,0,0,0|0,0,2]=4 1487 B10R0.35 C#CC(=O)C(F)C(=O)OCC 1458a_100000211873_100000760018 [1,1,0,0,0,0|0,0,2]=4 1488 B10R0.35 C=CC(=O)C(C)C(=O)OCC 1458a_100000185746_100011216346 [1,1,0,0,0,0|0,0,2]=4 1489 B10R0.35 C=CC(=O)C(F)C(=O)OCC 1458a_100000185746_100000760018 [1,1,0,0,0,0|0,0,2]=4 1490 B10R0.35 CC#CC(=O)C(C)C(=O)CC 1458a_100000763181_100000742827 [1,1,0,0,0,0|1,0,1]=4 1491 B10R0.35 CC#CC(=O)C(C)C(=O)OC 1458a_100000763181_100000211248 [1,1,0,0,0,0|1,0,1]=4 1492 B10R0.35 CC=CC(=O)C(C)C(=O)CC 1458a_100000210699_100000742827 [1,1,0,0,0,0|1,0,1]=4 1493 B10R0.35 CC=CC(=O)C(C)C(=O)OC 1458a_100000210699_100000211248 [1,1,0,0,0,0|1,0,1]=4 1494 B10R0.35 CCC(=O)C(C)C(=O)CCO 1458a_100011216618_100000742827 [1,1,0,0,0,0|2,0,0]=4 1495 B10R0.35 CCC(=O)C(C)C(=O)COC 1458a_100000210968_100000742827 [1,1,0,0,0,0|2,0,0]=4 1496 B10R0.35 CCC(=O)C(C)C(=O)CSC 1458a_100000184570_100000742827 [1,1,0,0,0,0|2,0,0]=4 1497 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [1,1,0,0,0,0|1,0,0]=3 1498 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [1,1,0,0,0,0|2,0,0]=4 1499 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [1,1,0,0,0,0|1,0,0]=3 1500 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [1,1,0,0,0,0|1,0,0]=3 1501 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [1,1,0,0,0,0|2,0,0]=4 1502 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [1,1,0,0,0,0|1,0,0]=3 1503 B10R0.35 CCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230173 [1,1,0,0,0,0|2,0,0]=4 1504 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [1,1,0,0,0,0|1,0,0]=3 1505 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [1,1,0,0,0,0|1,0,0]=3 1506 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [1,1,0,0,0,0|1,0,0]=3 1507 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [1,1,0,0,0,0|0,0,0]=2 1508 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [1,1,0,0,0,0|0,0,0]=2 1509 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [1,1,0,0,0,0|1,0,0]=3 1510 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [1,1,0,0,0,0|1,0,0]=3 1511 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [1,1,0,0,0,0|1,0,0]=3 1512 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [1,1,0,0,0,0|1,0,0]=3 1513 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [1,1,0,0,0,0|1,0,0]=3 1514 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [1,1,0,0,0,0|1,0,0]=3 1515 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [1,1,0,0,0,0|2,0,0]=4 1516 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [1,1,0,0,0,0|2,0,0]=4 1517 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [1,1,0,0,0,0|0,0,0]=2 1518 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [1,1,0,0,0,0|1,0,0]=3 1519 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [1,1,0,0,0,0|2,0,0]=4 1520 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [1,1,0,0,0,0|2,0,0]=4 1521 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [1,1,0,0,0,0|1,0,1]=4 1522 B10R0.35 CNNC(=O)C(C)C(=O)OC 22a_100016993582_100012027023 [1,1,0,0,0,0|2,0,0]=4 1523 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [1,1,0,0,0,0|2,0,0]=4 1524 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [1,1,0,0,0,0|2,0,0]=4 1525 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [1,1,0,0,0,0|2,0,0]=4 1526 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [1,1,0,0,0,0|2,0,0]=4 1527 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [1,1,0,0,0,0|2,0,0]=4 1528 B10R0.44 C#CC(=O)CC(=O)OC(C)C 1458a_100000211873_100011215430 [1,1,0,0,0,0|0,0,2]=4 1529 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [1,1,0,0,0,0|1,0,1]=4 1530 B10R0.44 C=CC(=O)CC(=O)OC(C)C 1458a_100000185746_100011215430 [1,1,0,0,0,0|0,0,2]=4 1531 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [1,1,0,0,0,0|2,0,0]=4 1532 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [1,1,0,0,0,0|1,0,0]=3 1533 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [1,1,0,0,0,0|1,0,1]=4 1534 B10R0.44 CCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747405 [1,1,0,0,0,0|1,0,1]=4 1535 B10R0.44 CCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747405 [1,1,0,0,0,0|1,0,1]=4 1536 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [1,1,0,0,0,0|1,0,0]=3 1537 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [1,1,0,0,0,0|2,0,0]=4 1538 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [1,1,0,0,0,0|1,0,0]=3 1539 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [1,1,0,0,0,0|2,0,0]=4 1540 B10R0.44 CCC(=O)CC(=O)NC(=O)C 1458a_100000210414_100000183797 [1,1,0,0,0,0|1,0,1]=4 1541 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [1,1,0,0,0,0|1,0,0]=3 1542 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [1,1,0,0,0,0|0,0,0]=2 1543 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 1544 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 1545 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [1,1,0,0,0,0|2,0,0]=4 1546 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [1,1,0,0,0,0|2,0,0]=4 1547 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [1,1,0,0,0,0|1,0,1]=4 1548 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [1,1,0,0,0,0|1,0,1]=4 1549 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [1,1,0,0,0,0|1,0,1]=4 1550 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [1,1,0,0,0,0|1,0,0]=3 1551 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [1,1,0,0,0,0|1,0,0]=3 1552 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [1,1,0,0,0,0|1,0,0]=3 1553 B10R0.44 COC(=O)CC(=O)CC(F)F 1458a_100000211351_100011934356 [1,1,0,0,0,0|2,0,0]=4 1554 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [1,1,0,0,0,0|2,0,0]=4 1555 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [1,1,0,0,0,0|1,0,0]=3 1556 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [1,1,0,0,0,0|2,0,0]=4 1557 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [1,1,0,0,0,0|1,0,0]=3 1558 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [1,1,0,0,0,0|1,0,1]=4 1559 B10R0.46 C/C=C(\C)/C(=O)CC(=O)CC 1458a_100020587367_100000747405 [1,1,0,0,0,0|1,0,1]=4 1560 B10R0.46 C/C=C(\C)/C(=O)CC(=O)OC 1458a_100020587367_100000747449 [1,1,0,0,0,0|1,0,1]=4 1561 B10R0.46 CCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747405 [1,1,0,0,0,0|2,0,0]=4 1562 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [1,1,0,0,0,0|1,0,0]=3 1563 B10R0.46 CCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747405 [1,1,0,0,0,0|2,0,0]=4 1564 B10R0.46 CCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747405 [1,1,0,0,0,0|2,0,0]=4 1565 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [1,1,0,0,0,0|1,0,0]=3 1566 B10R0.46 CCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747405 [1,1,0,0,0,0|2,0,0]=4 1567 B10R0.46 CCC(=O)CC(=O)N(C)CC 1458a_100000210414_100011894763 [1,1,0,0,0,0|1,0,0]=3 1568 B10R0.46 CCC(=O)CC(=O)N(C)OC 1458a_100000210414_100000764215 [1,1,0,0,0,0|2,0,0]=4 1569 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [1,1,0,0,0,0|2,0,0]=4 1570 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [1,1,0,0,0,0|1,0,0]=3 1571 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [1,1,0,0,0,0|1,0,0]=3 1572 B10R0.46 CCC(O)C(=O)CC(=O)NC 1458a_100011196387_100000183359 [1,1,0,0,0,0|2,0,0]=4 1573 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [1,1,0,0,0,0|1,0,0]=3 1574 B10R0.46 CCN(C)C(=O)CC(=O)CO 1458a_100000210174_100011894763 [1,1,0,0,0,0|2,0,0]=4 1575 B10R0.46 CCN(C)C(=O)CC(=O)OC 240690a_100000225621_100000211351 [1,1,0,0,0,0|1,0,0]=3 1576 B10R0.46 CNC(=O)C(=O)CC(=O)OC 1458a_100011218921_100000747449 [1,1,0,0,0,0|2,0,0]=4 1577 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [1,1,0,0,0,0|2,0,0]=4 1578 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [1,1,0,0,0,0|2,0,0]=4 1579 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [1,1,0,0,0,0|2,0,0]=4 1580 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [1,1,0,0,0,0|2,0,0]=4 1581 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [1,1,0,0,0,0|2,0,0]=4 1582 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [1,1,0,0,0,0|2,0,0]=4 1583 B10R0.46 COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747449 [1,1,0,0,0,0|2,0,0]=4 1584 B10R0.148 CCNS(=O)(=O)CC(=O)OC 270084a_100015525214_100000736875 [1,1,0,0,0,0|2,0,0]=4 1585 B10R0.148 CCNS(=O)(=O)CC(=O)OC 274078a_100015525214_100000736875 [1,1,0,0,0,0|2,0,0]=4 1586 B10R0.148 CCOC(C)(C)CC(=O)OC 7a_100015205050_100000210202 [1,1,0,0,0,0|1,0,1]=4 1587 B10R0.148 CCO[Si](C)(C)CC(=O)CC 1458a_100000210414_200000065227 [1,1,0,0,0,0|1,1,0]=4 1588 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,1,0|2,0,0]=4 1589 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,1,0|2,0,0]=4 1590 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,1,0,0,1,0|2,0,0]=4 1591 B10R0.32 CCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297158 [0,1,0,0,1,0|2,0,0]=4 1592 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100015525214_100011220036 [0,1,0,0,1,0|2,0,0]=4 1593 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297158 [0,1,0,0,1,0|2,0,0]=4 1594 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100015525214_100011220036 [0,1,0,0,1,0|2,0,0]=4 1595 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297158 [0,1,0,0,1,0|2,0,0]=4 1596 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,1,0|2,0,0]=4 1597 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,1,0,0,1,0|1,0,0]=3 1598 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,1,0,0,1,0|1,0,0]=3 1599 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,1,0,0,1,0|1,0,0]=3 1600 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,1,0|1,0,1]=4 1601 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,1,0|1,0,1]=4 1602 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,1,0|1,0,1]=4 1603 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210202 [0,1,0,0,1,0|1,0,1]=4 1604 B10R0.32 CCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210202 [0,1,0,0,1,0|1,0,1]=4 1605 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,1,0,0,1,0|0,1,1]=4 1606 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,1,0,0,1,0|0,1,1]=4 1607 B10R0.33 CCOC(=O)C(CC)OCC 34a_100011216719_100000210202 [0,1,0,0,1,0|1,0,1]=4 1608 B10R0.33 CCOC(=O)C(CC)OCC 34a_100121572206_100000212269 [0,1,0,0,1,0|1,0,1]=4 1609 B10R0.33 CCOC(=O)C(CC)OCC 7a_100011216719_100000210202 [0,1,0,0,1,0|1,0,1]=4 1610 B10R0.33 CCOC(=O)C(NC)OCC 34a_100102657272_100000033883 [0,1,0,0,1,0|1,0,1]=4 1611 B10R0.33 CCOC(=O)C(OC)OCC 34a_100138415774_100000033883 [0,1,0,0,1,0|0,0,2]=4 1612 B10R0.33 CCOC(=O)C(OCC)SC 34a_100121572206_100009893047 [0,1,0,0,1,0|0,1,1]=4 1613 B10R0.33 CCOC(=O)C(OCC)SC 62a_100000033883_200000210301 [0,1,0,0,1,0|0,1,1]=4 1614 B10R0.33 CCOC(=O)C(OCC)SC 62a_200000210301_100000033883 [0,1,0,0,1,0|0,1,1]=4 1615 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_100000033883_200025704644 [0,1,0,0,1,0|0,1,1]=4 1616 B10R0.33 CCOC(=O)C(OCC)S[13CH3] 62a_200025704644_100000033883 [0,1,0,0,1,0|0,1,1]=4 1617 B10R0.129 CCOC(=O)C(C)(C)OCC 34a_100000686869_100000210202 [0,1,0,0,1,0|1,0,1]=4 1618 B10R0.129 CCOC(=O)C(C)(C)OCC 7a_100000686869_100000210202 [0,1,0,0,1,0|1,0,1]=4 1619 B10R0.129 CCOC(=O)C(F)(F)OCC 34a_100121572206_100000210910 [0,1,0,0,1,0|1,0,1]=4 1620 B12R0.69 CC#CC(=O)C(C)CC(=O)OCC 1458a_100000763181_100009817359 [0,1,0,0,0,1|1,0,1]=4 1621 B12R0.69 CC/C=C(\C)/C(=O)CC(=O)OCC 1458a_100016988807_100000188475 [0,1,0,0,0,1|2,0,0]=4 1622 B12R0.69 CC=CC(=O)C(C)CC(=O)OCC 1458a_100000210699_100009817359 [0,1,0,0,0,1|1,0,1]=4 1623 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210699 [0,1,0,0,0,1|1,0,1]=4 1624 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210699 [0,1,0,0,0,1|1,0,1]=4 1625 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210699 [0,1,0,0,0,1|1,0,1]=4 1626 B12R0.69 CC=CC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210699 [0,1,0,0,0,1|1,0,1]=4 1627 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [0,1,0,0,0,1|1,0,0]=3 1628 B12R0.69 CCCC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000747444 [0,1,0,0,0,1|2,0,0]=4 1629 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 11a_100000741943_100000211992 [0,1,0,0,0,1|2,0,0]=4 1630 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 1626a_100000741943_100000211992 [0,1,0,0,0,1|2,0,0]=4 1631 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 240690a_100000741943_100000211992 [0,1,0,0,0,1|2,0,0]=4 1632 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 527a_100000741943_100000211992 [0,1,0,0,0,1|2,0,0]=4 1633 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211992 [0,1,0,0,0,1|1,0,0]=3 1634 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211992 [0,1,0,0,0,1|1,0,0]=3 1635 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211992 [0,1,0,0,0,1|1,0,0]=3 1636 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211992 [0,1,0,0,0,1|1,0,0]=3 1637 B12R0.69 CCCC(=O)NC(C)C(=O)CCC 1458a_100000205598_100000210303 [0,1,0,0,0,1|2,0,0]=4 1638 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100000736553_100000211992 [0,1,0,0,0,1|2,0,0]=4 1639 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100015525214_100000205598 [0,1,0,0,0,1|2,0,0]=4 1640 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 1626a_100000736553_100000211992 [0,1,0,0,0,1|2,0,0]=4 1641 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100000736553_100000211992 [0,1,0,0,0,1|2,0,0]=4 1642 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100015525214_100000205598 [0,1,0,0,0,1|2,0,0]=4 1643 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100000736553_100000211992 [0,1,0,0,0,1|2,0,0]=4 1644 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100015525214_100000205598 [0,1,0,0,0,1|2,0,0]=4 1645 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 11a_100103168634_100000211992 [0,1,0,0,0,1|1,1,0]=4 1646 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 1626a_100103168634_100000211992 [0,1,0,0,0,1|1,1,0]=4 1647 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 240690a_100103168634_100000211992 [0,1,0,0,0,1|1,1,0]=4 1648 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 527a_100103168634_100000211992 [0,1,0,0,0,1|1,1,0]=4 1649 B12R0.69 CCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211992 [0,1,0,0,0,1|1,0,0]=3 1650 B12R0.69 CCNC(=O)C(=O)CC(=O)OCC 1458a_200011297158_100000188475 [0,1,0,0,0,1|1,0,0]=3 1651 B12R0.69 CCNC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000183381 [0,1,0,0,0,1|2,0,0]=4 1652 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 2708a_100015525214_100000741943 [0,1,0,0,0,1|2,0,0]=4 1653 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 273464a_100015525214_100000741943 [0,1,0,0,0,1|2,0,0]=4 1654 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 2708a_100015525214_100000736553 [0,1,0,0,0,1|2,0,0]=4 1655 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 273464a_100000736553_100015525214 [0,1,0,0,0,1|2,0,0]=4 1656 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100000736553_100015525214 [0,1,0,0,0,1|2,0,0]=4 1657 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100015525214_100000736553 [0,1,0,0,0,1|2,0,0]=4 1658 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100015525214_100103168634 [0,1,0,0,0,1|1,1,0]=4 1659 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100103168634_100015525214 [0,1,0,0,0,1|1,1,0]=4 1660 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100015525214_100103168634 [0,1,0,0,0,1|1,1,0]=4 1661 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100103168634_100015525214 [0,1,0,0,0,1|1,1,0]=4 1662 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100015525214_100103168634 [0,1,0,0,0,1|1,1,0]=4 1663 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100103168634_100015525214 [0,1,0,0,0,1|1,1,0]=4 1664 B12R0.69 CCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000188475 [0,1,0,0,0,1|1,0,1]=4 1665 B12R0.69 CCOC(=O)CC(C)C(=O)CCO 1458a_100011216618_100009817359 [0,1,0,0,0,1|2,0,0]=4 1666 B12R0.69 CCOC(=O)CC(C)C(=O)COC 1458a_100000210968_100009817359 [0,1,0,0,0,1|2,0,0]=4 1667 B12R0.69 CCOC(=O)CC(C)C(=O)CSC 1458a_100000184570_100009817359 [0,1,0,0,0,1|2,0,0]=4 1668 B12R0.69 CCOC(=O)CN(C)C(=O)CCO 240690a_100000220588_100011216618 [0,1,0,0,0,1|2,0,0]=4 1669 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 2230a_106832991635_100000754419 [0,1,0,0,0,1|2,0,0]=4 1670 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 34a_100102657272_100000754419 [0,1,0,0,0,1|2,0,0]=4 1671 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 7a_106832991635_100000754419 [0,1,0,0,0,1|2,0,0]=4 1672 B12R0.69 CCOC(=O)CN(C)C(=O)COC 11a_100000220588_100000210968 [0,1,0,0,0,1|2,0,0]=4 1673 B12R0.69 CCOC(=O)CN(C)C(=O)COC 1626a_100000220588_100000210968 [0,1,0,0,0,1|2,0,0]=4 1674 B12R0.69 CCOC(=O)CN(C)C(=O)COC 240690a_100000220588_100000210968 [0,1,0,0,0,1|2,0,0]=4 1675 B12R0.69 CCOC(=O)CN(C)C(=O)COC 34a_100138415774_100000754419 [0,1,0,0,0,1|2,0,0]=4 1676 B12R0.69 CCOC(=O)CN(C)C(=O)COC 527a_100000220588_100000210968 [0,1,0,0,0,1|2,0,0]=4 1677 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 11a_100000220588_100000184570 [0,1,0,0,0,1|2,0,0]=4 1678 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 1626a_100000220588_100000184570 [0,1,0,0,0,1|2,0,0]=4 1679 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 240690a_100000220588_100000184570 [0,1,0,0,0,1|2,0,0]=4 1680 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 527a_100000220588_100000184570 [0,1,0,0,0,1|2,0,0]=4 1681 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 62a_100000754419_200000210301 [0,1,0,0,0,1|2,0,0]=4 1682 B12R0.69 CCOC(=O)CN(C)C(=O)CS[13CH3] 62a_100000754419_200025704644 [0,1,0,0,0,1|2,0,0]=4 1683 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)COC 188690a_100016988386_100000210968 [0,1,0,0,0,1|2,0,0]=4 1684 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)CSC 188690a_100016988386_100000184570 [0,1,0,0,0,1|2,0,0]=4 1685 B12R0.79 C/C=C(\C)/C(=O)NCC(=O)OCC 188690a_100000741813_100020587367 [0,1,0,0,0,1|1,0,1]=4 1686 B12R0.79 C=C(CO)C(=O)NCC(=O)OCC 188690a_100000741813_200000705526 [0,1,0,0,0,1|2,0,0]=4 1687 B12R0.79 CCCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210303 [0,1,0,0,0,1|2,0,0]=4 1688 B12R0.79 CCCC(=O)OCC(=O)C(C)CC 1458a_100011192722_100000034017 [0,1,0,0,0,1|2,0,0]=4 1689 B12R0.79 CCCC(=O)OCC(=O)C(O)CC 1458a_100011196387_100000034017 [0,1,0,0,0,1|2,0,0]=4 1690 B12R0.79 CCNC(=O)CCC(=O)C(C)CC 1458a_100000199579_100000758301 [0,1,0,0,0,1|2,0,0]=4 1691 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 11a_100000225621_100000199579 [0,1,0,0,0,1|2,0,0]=4 1692 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000199579 [0,1,0,0,0,1|2,0,0]=4 1693 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000199579 [0,1,0,0,0,1|2,0,0]=4 1694 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 11a_100015525214_100000743532 [0,1,0,0,0,1|2,0,0]=4 1695 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 11a_100016988866_100011192722 [0,1,0,0,0,1|2,0,0]=4 1696 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 1626a_100016988866_100011192722 [0,1,0,0,0,1|2,0,0]=4 1697 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 240690a_100015525214_100000743532 [0,1,0,0,0,1|2,0,0]=4 1698 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 240690a_100016988866_100011192722 [0,1,0,0,0,1|2,0,0]=4 1699 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 527a_100015525214_100000743532 [0,1,0,0,0,1|2,0,0]=4 1700 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 527a_100016988866_100011192722 [0,1,0,0,0,1|2,0,0]=4 1701 B12R0.79 CCNC(=O)CNC(=O)C(O)CC 240690a_100016988866_100011196387 [0,1,0,0,0,1|2,0,0]=4 1702 B12R0.79 CCNC(=O)CNC(=O)N(C)CC 2708a_100016988866_100000225621 [0,1,0,0,0,1|2,0,0]=4 1703 B12R0.79 CCNC(=O)CNC(=O)N(C)CC 273464a_100016988866_100000225621 [0,1,0,0,0,1|2,0,0]=4 1704 B12R0.79 CCOC(=O)C=CC(=O)C(C)CC 1458a_100000210415_100000758301 [0,1,0,0,0,1|1,0,1]=4 1705 B12R0.79 CCOC(=O)C=CC(=O)N(C)CC 1626a_100000225621_100000210415 [0,1,0,0,0,1|1,0,1]=4 1706 B12R0.79 CCOC(=O)C=CC(=O)N(C)CC 240690a_100000225621_100000210415 [0,1,0,0,0,1|1,0,1]=4 1707 B12R0.79 CCOC(=O)CCC(=O)C(C)CC 1458a_100000183558_100000758301 [0,1,0,0,0,1|1,0,0]=3 1708 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 11a_100000225621_100000183558 [0,1,0,0,0,1|1,0,0]=3 1709 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000183558 [0,1,0,0,0,1|1,0,0]=3 1710 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000183558 [0,1,0,0,0,1|1,0,0]=3 1711 B12R0.79 CCOC(=O)CNC(=O)C(C)CC 188690a_100000741813_100011192722 [0,1,0,0,0,1|1,0,0]=3 1712 B12R0.79 CCOC(=O)CNC(=O)C(C)OC 188690a_100000741813_100000743197 [0,1,0,0,0,1|2,0,0]=4 1713 B12R0.79 CCOC(=O)CNC(=O)C(C)SC 188690a_100000741813_100000149566 [0,1,0,0,0,1|2,0,0]=4 1714 B12R0.79 CCOC(=O)CNC(=O)C(O)CC 188690a_100000741813_100011196387 [0,1,0,0,0,1|1,0,0]=3 1715 B12R0.79 CCOC(=O)CNC(=O)C(O)CO 188690a_100000741813_100011215603 [0,1,0,0,0,1|2,0,0]=4 1716 B12R0.79 CCOC(=O)NCC(=O)C(C)CC 1458a_100000190774_100000758301 [0,1,0,0,0,1|1,0,0]=3 1717 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 11a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 1718 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 1626a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 1719 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 240690a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 1720 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 527a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 1721 B12R0.101 C#CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000753159 [0,1,0,0,0,1|1,0,1]=4 1722 B12R0.101 C#CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000753159 [0,1,0,0,0,1|1,0,1]=4 1723 B12R0.101 C#CCNC(=O)CCC(=O)OCC 11a_100000212058_100000183558 [0,1,0,0,0,1|1,0,1]=4 1724 B12R0.101 C#CCNC(=O)CCC(=O)OCC 1626a_100000212058_100000183558 [0,1,0,0,0,1|1,0,1]=4 1725 B12R0.101 C#CCNC(=O)CCC(=O)OCC 240690a_100000212058_100000183558 [0,1,0,0,0,1|1,0,1]=4 1726 B12R0.101 C#CCNC(=O)CNC(=O)OCC 11a_100000212058_100000190774 [0,1,0,0,0,1|1,0,1]=4 1727 B12R0.101 C#CCNC(=O)CNC(=O)OCC 1626a_100000212058_100000190774 [0,1,0,0,0,1|1,0,1]=4 1728 B12R0.101 C#CCNC(=O)CNC(=O)OCC 240690a_100000212058_100000190774 [0,1,0,0,0,1|1,0,1]=4 1729 B12R0.101 C#CCNC(=O)CNC(=O)OCC 527a_100000212058_100000190774 [0,1,0,0,0,1|1,0,1]=4 1730 B12R0.101 C/C=C/CC(=O)CCC(=O)OCC 1458a_100000183558_100102629194 [0,1,0,0,0,1|1,0,1]=4 1731 B12R0.101 C/C=C/CC(=O)CNC(=O)OCC 1458a_100000190774_100102629194 [0,1,0,0,0,1|1,0,1]=4 1732 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,1,0,0,0,1|1,0,1]=4 1733 B12R0.101 C=CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000754431 [0,1,0,0,0,1|1,0,1]=4 1734 B12R0.101 C=CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749702 [0,1,0,0,0,1|1,0,1]=4 1735 B12R0.101 C=CCNC(=O)CCC(=O)OCC 1626a_100020586998_100000183558 [0,1,0,0,0,1|1,0,1]=4 1736 B12R0.101 C=CCNC(=O)CCC(=O)OCC 240690a_100020586998_100000183558 [0,1,0,0,0,1|1,0,1]=4 1737 B12R0.101 C=CCNC(=O)CNC(=O)OCC 1626a_100020586998_100000190774 [0,1,0,0,0,1|1,0,1]=4 1738 B12R0.101 C=CCNC(=O)CNC(=O)OCC 240690a_100020586998_100000190774 [0,1,0,0,0,1|1,0,1]=4 1739 B12R0.101 C=CCNC(=O)CNC(=O)OCC 527a_100020586998_100000190774 [0,1,0,0,0,1|1,0,1]=4 1740 B12R0.101 C=CCOC(=O)NCC(=O)CCC 1458a_100000216761_100000210303 [0,1,0,0,0,1|1,0,1]=4 1741 B12R0.101 C=CCOC(=O)NCC(=O)NCC 11a_100015525214_100000216761 [0,1,0,0,0,1|1,0,1]=4 1742 B12R0.101 C=CCOC(=O)NCC(=O)NCC 240690a_100015525214_100000216761 [0,1,0,0,0,1|1,0,1]=4 1743 B12R0.101 C=CCOC(=O)NCC(=O)NCC 527a_100015525214_100000216761 [0,1,0,0,0,1|1,0,1]=4 1744 B12R0.101 CC#CC(=O)COC(=O)OCCC 1458a_100000763181_200000139673 [0,1,0,0,0,1|1,0,1]=4 1745 B12R0.101 CC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000748600 [0,1,0,0,0,1|1,0,1]=4 1746 B12R0.101 CC#CCC(=O)CNC(=O)OCC 1458a_100000190774_100000748600 [0,1,0,0,0,1|1,0,1]=4 1747 B12R0.101 CC=CC(=O)COC(=O)OCCC 1458a_100000210699_200000139673 [0,1,0,0,0,1|1,0,1]=4 1748 B12R0.101 CC=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000070051 [0,1,0,0,0,1|1,0,1]=4 1749 B12R0.101 CC=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000070051 [0,1,0,0,0,1|1,0,1]=4 1750 B12R0.101 CC=CCC(=O)NCC(=O)OCC 188690a_100000741813_100121576822 [0,1,0,0,0,1|1,0,1]=4 1751 B12R0.101 CCC#CC(=O)COC(=O)CCC 1458a_100011827653_100000034017 [0,1,0,0,0,1|2,0,0]=4 1752 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [0,1,0,0,0,1|2,0,0]=4 1753 B12R0.101 CCC=CC(=O)NCC(=O)NCC 11a_100016988866_100000212282 [0,1,0,0,0,1|2,0,0]=4 1754 B12R0.101 CCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000212282 [0,1,0,0,0,1|2,0,0]=4 1755 B12R0.101 CCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000212282 [0,1,0,0,0,1|2,0,0]=4 1756 B12R0.101 CCCC(=O)NCC(=O)NCCF 11a_100000725713_100000211992 [0,1,0,0,0,1|2,0,0]=4 1757 B12R0.101 CCCC(=O)NCC(=O)NCCF 1626a_100000725713_100000211992 [0,1,0,0,0,1|2,0,0]=4 1758 B12R0.101 CCCC(=O)NCC(=O)NCCF 240690a_100000725713_100000211992 [0,1,0,0,0,1|2,0,0]=4 1759 B12R0.101 CCCC(=O)NCC(=O)NCCF 527a_100000725713_100000211992 [0,1,0,0,0,1|2,0,0]=4 1760 B12R0.101 CCCC(=O)NNC(=O)COCC 22a_100000189770_100000211967 [0,1,0,0,0,1|2,0,0]=4 1761 B12R0.101 CCCC(=O)NNC(=O)COCC 22a_100000216846_100000211992 [0,1,0,0,0,1|2,0,0]=4 1762 B12R0.101 CCCC(=O)OCC(=O)CCOC 1458a_100000749529_100000034017 [0,1,0,0,0,1|2,0,0]=4 1763 B12R0.101 CCCC(=O)OCC(=O)CCSC 1458a_100000174002_100000034017 [0,1,0,0,0,1|2,0,0]=4 1764 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,1,0,0,0,1|1,0,0]=3 1765 B12R0.101 CCCC(=O)OCC(=O)CSCC 1458a_100000230394_100000034017 [0,1,0,0,0,1|1,1,0]=4 1766 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,1,0,0,0,1|1,0,1]=4 1767 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,1,0,0,0,1|2,0,0]=4 1768 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,1,0,0,0,1|1,0,0]=3 1769 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,1,0,0,0,1|1,0,0]=3 1770 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,1,0,0,0,1|2,0,0]=4 1771 B12R0.101 CCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210183 [0,1,0,0,0,1|2,0,0]=4 1772 B12R0.101 CCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210183 [0,1,0,0,0,1|2,0,0]=4 1773 B12R0.101 CCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210183 [0,1,0,0,0,1|2,0,0]=4 1774 B12R0.101 CCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210183 [0,1,0,0,0,1|2,0,0]=4 1775 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,1,0,0,0,1|1,0,0]=3 1776 B12R0.101 CCCNC(=O)C=CC(=O)OCC 1626a_100020643023_100000210415 [0,1,0,0,0,1|1,0,1]=4 1777 B12R0.101 CCCNC(=O)C=CC(=O)OCC 240690a_100020643023_100000210415 [0,1,0,0,0,1|1,0,1]=4 1778 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,1,0,0,0,1|2,0,0]=4 1779 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [0,1,0,0,0,1|2,0,0]=4 1780 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [0,1,0,0,0,1|2,0,0]=4 1781 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [0,1,0,0,0,1|2,0,0]=4 1782 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [0,1,0,0,0,1|2,0,0]=4 1783 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [0,1,0,0,0,1|2,0,0]=4 1784 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [0,1,0,0,0,1|2,0,0]=4 1785 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,1,0,0,0,1|1,0,0]=3 1786 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,1,0,0,0,1|1,0,0]=3 1787 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,1,0,0,0,1|1,0,0]=3 1788 B12R0.101 CCCNC(=O)CNC(=O)CCC 11a_100000174927_100000211992 [0,1,0,0,0,1|2,0,0]=4 1789 B12R0.101 CCCNC(=O)CNC(=O)CCC 1626a_100000174927_100000211992 [0,1,0,0,0,1|2,0,0]=4 1790 B12R0.101 CCCNC(=O)CNC(=O)CCC 240690a_100000174927_100000211992 [0,1,0,0,0,1|2,0,0]=4 1791 B12R0.101 CCCNC(=O)CNC(=O)CCC 527a_100000174927_100000211992 [0,1,0,0,0,1|2,0,0]=4 1792 B12R0.101 CCCNC(=O)CNC(=O)NCC 2708a_100015525214_100000174927 [0,1,0,0,0,1|2,0,0]=4 1793 B12R0.101 CCCNC(=O)CNC(=O)NCC 273464a_100000174927_100015525214 [0,1,0,0,0,1|2,0,0]=4 1794 B12R0.101 CCCNC(=O)CNC(=O)NCC 273464a_100015525214_100000174927 [0,1,0,0,0,1|2,0,0]=4 1795 B12R0.101 CCCNC(=O)CNC(=O)NCC 512a_100000174927_100015525214 [0,1,0,0,0,1|2,0,0]=4 1796 B12R0.101 CCCNC(=O)CNC(=O)NCC 512a_100015525214_100000174927 [0,1,0,0,0,1|2,0,0]=4 1797 B12R0.101 CCCNC(=O)CNC(=O)OCC 11a_100020643023_100000190774 [0,1,0,0,0,1|1,0,0]=3 1798 B12R0.101 CCCNC(=O)CNC(=O)OCC 1626a_100020643023_100000190774 [0,1,0,0,0,1|1,0,0]=3 1799 B12R0.101 CCCNC(=O)CNC(=O)OCC 240690a_100020643023_100000190774 [0,1,0,0,0,1|1,0,0]=3 1800 B12R0.101 CCCNC(=O)CNC(=O)OCC 527a_100020643023_100000190774 [0,1,0,0,0,1|1,0,0]=3 1801 B12R0.101 CCCNC(=O)NCC(=O)NCC 2708a_100016988866_100020643023 [0,1,0,0,0,1|2,0,0]=4 1802 B12R0.101 CCCNC(=O)NCC(=O)NCC 2708a_100020643023_100016988866 [0,1,0,0,0,1|2,0,0]=4 1803 B12R0.101 CCCNC(=O)NCC(=O)NCC 273464a_100016988866_100020643023 [0,1,0,0,0,1|2,0,0]=4 1804 B12R0.101 CCCNC(=O)NCC(=O)NCC 273464a_100020643023_100016988866 [0,1,0,0,0,1|2,0,0]=4 1805 B12R0.101 CCCNC(=O)NCC(=O)NCC 512a_100016988866_100020643023 [0,1,0,0,0,1|2,0,0]=4 1806 B12R0.101 CCCNC(=O)NCC(=O)NCC 512a_100020643023_100016988866 [0,1,0,0,0,1|2,0,0]=4 1807 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [0,1,0,0,0,1|1,0,0]=3 1808 B12R0.101 CCCOC(=O)OCC(=O)CCO 1458a_100011216618_200000139673 [0,1,0,0,0,1|2,0,0]=4 1809 B12R0.101 CCCOC(=O)OCC(=O)COC 1458a_100000210968_200000139673 [0,1,0,0,0,1|2,0,0]=4 1810 B12R0.101 CCCOC(=O)OCC(=O)CSC 1458a_100000184570_200000139673 [0,1,0,0,0,1|2,0,0]=4 1811 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,1,0,0,0,1|1,0,1]=4 1812 B12R0.101 CCNC(=O)CCC(=O)CCCF 1458a_100000199579_100011934791 [0,1,0,0,0,1|2,0,0]=4 1813 B12R0.101 CCNC(=O)CCC(=O)CCCO 1458a_100000199579_100011215043 [0,1,0,0,0,1|2,0,0]=4 1814 B12R0.101 CCNC(=O)CCC(=O)CCOC 1458a_100000199579_100000233755 [0,1,0,0,0,1|2,0,0]=4 1815 B12R0.101 CCNC(=O)CCC(=O)CCSC 1458a_100000199579_100000751147 [0,1,0,0,0,1|2,0,0]=4 1816 B12R0.101 CCNC(=O)CCC(=O)NCCF 11a_100000724931_100000199579 [0,1,0,0,0,1|2,0,0]=4 1817 B12R0.101 CCNC(=O)CCC(=O)NCCF 1626a_100000724931_100000199579 [0,1,0,0,0,1|2,0,0]=4 1818 B12R0.101 CCNC(=O)CCC(=O)NCCF 240690a_100000724931_100000199579 [0,1,0,0,0,1|2,0,0]=4 1819 B12R0.101 CCNC(=O)CCC(=O)NCCO 240690a_100000210304_100000199579 [0,1,0,0,0,1|2,0,0]=4 1820 B12R0.101 CCNC(=O)CNC(=O)CCOC 11a_100016988866_100000749529 [0,1,0,0,0,1|2,0,0]=4 1821 B12R0.101 CCNC(=O)CNC(=O)CCOC 1626a_100016988866_100000749529 [0,1,0,0,0,1|2,0,0]=4 1822 B12R0.101 CCNC(=O)CNC(=O)CCOC 240690a_100016988866_100000749529 [0,1,0,0,0,1|2,0,0]=4 1823 B12R0.101 CCNC(=O)CNC(=O)CCOC 527a_100016988866_100000749529 [0,1,0,0,0,1|2,0,0]=4 1824 B12R0.101 CCNC(=O)CNC(=O)CCSC 11a_100016988866_100000174002 [0,1,0,0,0,1|2,0,0]=4 1825 B12R0.101 CCNC(=O)CNC(=O)CCSC 1626a_100016988866_100000174002 [0,1,0,0,0,1|2,0,0]=4 1826 B12R0.101 CCNC(=O)CNC(=O)CCSC 240690a_100016988866_100000174002 [0,1,0,0,0,1|2,0,0]=4 1827 B12R0.101 CCNC(=O)CNC(=O)CCSC 527a_100016988866_100000174002 [0,1,0,0,0,1|2,0,0]=4 1828 B12R0.101 CCNC(=O)CNC(=O)COCC 11a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 1829 B12R0.101 CCNC(=O)CNC(=O)COCC 1626a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 1830 B12R0.101 CCNC(=O)CNC(=O)COCC 240690a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 1831 B12R0.101 CCNC(=O)CNC(=O)COCC 527a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 1832 B12R0.101 CCNC(=O)CNC(=O)CSCC 11a_100016988866_100000230394 [0,1,0,0,0,1|1,1,0]=4 1833 B12R0.101 CCNC(=O)CNC(=O)CSCC 1626a_100016988866_100000230394 [0,1,0,0,0,1|1,1,0]=4 1834 B12R0.101 CCNC(=O)CNC(=O)CSCC 240690a_100016988866_100000230394 [0,1,0,0,0,1|1,1,0]=4 1835 B12R0.101 CCNC(=O)CNC(=O)CSCC 527a_100016988866_100000230394 [0,1,0,0,0,1|1,1,0]=4 1836 B12R0.101 CCNC(=O)CNC(=O)NCCF 2708a_100016988866_100000724931 [0,1,0,0,0,1|2,0,0]=4 1837 B12R0.101 CCNC(=O)CNC(=O)NCCF 273464a_100000724931_100016988866 [0,1,0,0,0,1|2,0,0]=4 1838 B12R0.101 CCNC(=O)CNC(=O)NCCF 273464a_100016988866_100000724931 [0,1,0,0,0,1|2,0,0]=4 1839 B12R0.101 CCNC(=O)CNC(=O)NCCF 512a_100016988866_100000724931 [0,1,0,0,0,1|2,0,0]=4 1840 B12R0.101 CCNC(=O)CNC(=O)NCCO 2708a_100016988866_100000210304 [0,1,0,0,0,1|2,0,0]=4 1841 B12R0.101 CCNC(=O)CNC(=O)NCCO 273464a_100000210304_100016988866 [0,1,0,0,0,1|2,0,0]=4 1842 B12R0.101 CCNC(=O)CNC(=O)NCCO 273464a_100016988866_100000210304 [0,1,0,0,0,1|2,0,0]=4 1843 B12R0.101 CCNC(=O)CNC(=O)NCCO 512a_100016988866_100000210304 [0,1,0,0,0,1|2,0,0]=4 1844 B12R0.101 CCNC(=O)NCC(=O)NCCF 2708a_100015525214_100000725713 [0,1,0,0,0,1|2,0,0]=4 1845 B12R0.101 CCNC(=O)NCC(=O)NCCF 273464a_100000725713_100015525214 [0,1,0,0,0,1|2,0,0]=4 1846 B12R0.101 CCNC(=O)NCC(=O)NCCF 273464a_100015525214_100000725713 [0,1,0,0,0,1|2,0,0]=4 1847 B12R0.101 CCNC(=O)NCC(=O)NCCF 512a_100015525214_100000725713 [0,1,0,0,0,1|2,0,0]=4 1848 B12R0.101 CCNC(=O)NNC(=O)COCC 273464a_100015525214_100000216846 [0,1,0,0,0,1|2,0,0]=4 1849 B12R0.101 CCNCC(=O)NCC(=O)OCC 2230a_100015525214_100011215850 [0,1,0,0,0,1|1,0,0]=3 1850 B12R0.101 CCNN=C(C)CCC(=O)OCC 4a_100000756455_100011212338 [0,1,0,0,0,1|2,0,0]=4 1851 B12R0.101 CCNNC(=O)CCC(=O)NCC 22a_100000756455_100000199579 [0,1,0,0,0,1|2,0,0]=4 1852 B12R0.101 CCNNC(=O)CNC(=O)OCC 22a_100000756455_100000190774 [0,1,0,0,0,1|1,0,0]=3 1853 B12R0.101 CCNNC(=O)NCC(=O)NCC 273464a_100016988866_100000756455 [0,1,0,0,0,1|2,0,0]=4 1854 B12R0.101 CCNNC(=O)NCC(=O)NCC 512a_100000756455_100016988866 [0,1,0,0,0,1|2,0,0]=4 1855 B12R0.101 CCNNC(=O)NCC(=O)NCC 512a_100016988866_100000756455 [0,1,0,0,0,1|2,0,0]=4 1856 B12R0.101 CCOC(=O)C=CC(=O)CCCF 1458a_100000210415_100011934791 [0,1,0,0,0,1|1,0,1]=4 1857 B12R0.101 CCOC(=O)C=CC(=O)CCCO 1458a_100000210415_100011215043 [0,1,0,0,0,1|1,0,1]=4 1858 B12R0.101 CCOC(=O)C=CC(=O)CCOC 1458a_100000210415_100000233755 [0,1,0,0,0,1|1,0,1]=4 1859 B12R0.101 CCOC(=O)C=CC(=O)CCSC 1458a_100000210415_100000751147 [0,1,0,0,0,1|1,0,1]=4 1860 B12R0.101 CCOC(=O)C=CC(=O)NCCF 1626a_100000724931_100000210415 [0,1,0,0,0,1|1,0,1]=4 1861 B12R0.101 CCOC(=O)C=CC(=O)NCCF 240690a_100000724931_100000210415 [0,1,0,0,0,1|1,0,1]=4 1862 B12R0.101 CCOC(=O)C=CC(=O)NCCO 240690a_100000210304_100000210415 [0,1,0,0,0,1|1,0,1]=4 1863 B12R0.101 CCOC(=O)CCC(=O)CCC#N 1458a_100000183558_100011215226 [0,1,0,0,0,1|1,0,1]=4 1864 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,1,0,0,0,1|1,0,0]=3 1865 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,1,0,0,0,1|1,0,0]=3 1866 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,1,0,0,0,1|1,0,0]=3 1867 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,1,0,0,0,1|1,0,0]=3 1868 B12R0.101 CCOC(=O)CCC(=O)NCC#N 1626a_100000734998_100000183558 [0,1,0,0,0,1|1,0,1]=4 1869 B12R0.101 CCOC(=O)CCC(=O)NCCF 11a_100000724931_100000183558 [0,1,0,0,0,1|1,0,0]=3 1870 B12R0.101 CCOC(=O)CCC(=O)NCCF 1626a_100000724931_100000183558 [0,1,0,0,0,1|1,0,0]=3 1871 B12R0.101 CCOC(=O)CCC(=O)NCCF 240690a_100000724931_100000183558 [0,1,0,0,0,1|1,0,0]=3 1872 B12R0.101 CCOC(=O)CCC(=O)NCCO 240690a_100000210304_100000183558 [0,1,0,0,0,1|1,0,0]=3 1873 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,1,0,0,0,1|1,0,1]=4 1874 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,1,0,0,0,1|1,0,1]=4 1875 B12R0.101 CCOC(=O)CNC(=O)CCOC 188690a_100000741813_100000749529 [0,1,0,0,0,1|1,0,0]=3 1876 B12R0.101 CCOC(=O)CNC(=O)CCSC 188690a_100000741813_100000174002 [0,1,0,0,0,1|1,0,0]=3 1877 B12R0.101 CCOC(=O)CNC(=O)CSCC 188690a_100000741813_100000230394 [0,1,0,0,0,1|0,1,0]=3 1878 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100000210202_100011215850 [0,1,0,0,0,1|0,1,0]=3 1879 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100011215850_100000210202 [0,1,0,0,0,1|0,1,0]=3 1880 B12R0.101 CCOC(=O)CNC(=O)CSCF 62a_100011215850_100015361967 [0,1,0,0,0,1|1,1,0]=4 1881 B12R0.101 CCOC(=O)CNC(=O)CSCF 62a_100015361967_100011215850 [0,1,0,0,0,1|1,1,0]=4 1882 B12R0.101 CCOC(=O)NCC(=O)CCC#N 1458a_100000190774_100011215226 [0,1,0,0,0,1|1,0,1]=4 1883 B12R0.101 CCOC(=O)NCC(=O)CCCF 1458a_100000190774_100011934791 [0,1,0,0,0,1|1,0,0]=3 1884 B12R0.101 CCOC(=O)NCC(=O)CCCO 1458a_100000190774_100011215043 [0,1,0,0,0,1|1,0,0]=3 1885 B12R0.101 CCOC(=O)NCC(=O)CCOC 1458a_100000190774_100000233755 [0,1,0,0,0,1|1,0,0]=3 1886 B12R0.101 CCOC(=O)NCC(=O)CCSC 1458a_100000190774_100000751147 [0,1,0,0,0,1|1,0,0]=3 1887 B12R0.101 CCOC(=O)NCC(=O)NCC#N 1626a_100000734998_100000190774 [0,1,0,0,0,1|1,0,1]=4 1888 B12R0.101 CCOC(=O)NCC(=O)NCC#N 527a_100000734998_100000190774 [0,1,0,0,0,1|1,0,1]=4 1889 B12R0.101 CCOC(=O)NCC(=O)NCCF 11a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 1890 B12R0.101 CCOC(=O)NCC(=O)NCCF 1626a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 1891 B12R0.101 CCOC(=O)NCC(=O)NCCF 240690a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 1892 B12R0.101 CCOC(=O)NCC(=O)NCCF 527a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 1893 B12R0.101 CCOC(=O)NCC(=O)NCCO 240690a_100000210304_100000190774 [0,1,0,0,0,1|1,0,0]=3 1894 B12R0.101 CCOC(=O)NCC(=O)NCCO 527a_100000210304_100000190774 [0,1,0,0,0,1|1,0,0]=3 1895 B12R0.101 CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000211967 [0,1,0,0,0,1|0,0,0]=2 1896 B12R0.101 CCOCC(=O)NCC(=O)OCC 34a_100121572206_100011215850 [0,1,0,0,0,1|0,0,0]=2 1897 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,1,0,0,0,1|1,0,1]=4 1898 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,1,0,0,0,1|1,0,1]=4 1899 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,1,0,0,0,1|2,0,0]=4 1900 B12R0.272 C=C(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100000748629 [0,1,0,0,0,1|1,0,1]=4 1901 B12R0.272 C=C(C)CC(=O)CNC(=O)OCC 1458a_100000190774_100000748629 [0,1,0,0,0,1|1,0,1]=4 1902 B12R0.272 CC#CC(=O)CCC(=O)OC(C)C 1458a_100000763181_100000760027 [0,1,0,0,0,1|1,0,1]=4 1903 B12R0.272 CC#CC(=O)COC(=O)OC(C)C 1458a_100000763181_100000003507 [0,1,0,0,0,1|1,0,1]=4 1904 B12R0.272 CC(C)OC(=O)CCC(=O)CCO 1458a_100011216618_100000760027 [0,1,0,0,0,1|2,0,0]=4 1905 B12R0.272 CC(C)OC(=O)OCC(=O)CCO 1458a_100011216618_100000003507 [0,1,0,0,0,1|2,0,0]=4 1906 B12R0.272 CC=CC(=O)CCC(=O)OC(C)C 1458a_100000210699_100000760027 [0,1,0,0,0,1|1,0,1]=4 1907 B12R0.272 CC=CC(=O)COC(=O)OC(C)C 1458a_100000210699_100000003507 [0,1,0,0,0,1|1,0,1]=4 1908 B12R0.272 CCCC(=O)CCC(=O)NC(C)C 1458a_100000211992_100000737564 [0,1,0,0,0,1|2,0,0]=4 1909 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [0,1,0,0,0,1|1,0,0]=3 1910 B12R0.272 CCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210303 [0,1,0,0,0,1|2,0,0]=4 1911 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,1,0,0,0,1|1,0,0]=3 1912 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000211992 [0,1,0,0,0,1|2,0,0]=4 1913 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000211992 [0,1,0,0,0,1|2,0,0]=4 1914 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000211992 [0,1,0,0,0,1|2,0,0]=4 1915 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000211992 [0,1,0,0,0,1|2,0,0]=4 1916 B12R0.272 CCCC(=O)OCC(=O)CC(C)C 1458a_100000210554_100000034017 [0,1,0,0,0,1|2,0,0]=4 1917 B12R0.272 CCCC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100000034017 [0,1,0,0,0,1|2,0,0]=4 1918 B12R0.272 CCNC(=O)CCC(=O)CC(C)C 1458a_100000199579_100000210624 [0,1,0,0,0,1|2,0,0]=4 1919 B12R0.272 CCNC(=O)CCC(=O)CC(C)O 1458a_100000199579_100011218427 [0,1,0,0,0,1|2,0,0]=4 1920 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 11a_100138425928_100000199579 [0,1,0,0,0,1|2,0,0]=4 1921 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000199579 [0,1,0,0,0,1|2,0,0]=4 1922 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000199579 [0,1,0,0,0,1|2,0,0]=4 1923 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100015525214_100000194594 [0,1,0,0,0,1|2,0,0]=4 1924 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100016988866_100000210554 [0,1,0,0,0,1|2,0,0]=4 1925 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 1626a_100016988866_100000210554 [0,1,0,0,0,1|2,0,0]=4 1926 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100015525214_100000194594 [0,1,0,0,0,1|2,0,0]=4 1927 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100016988866_100000210554 [0,1,0,0,0,1|2,0,0]=4 1928 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100015525214_100000194594 [0,1,0,0,0,1|2,0,0]=4 1929 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100016988866_100000210554 [0,1,0,0,0,1|2,0,0]=4 1930 B12R0.272 CCNC(=O)CNC(=O)C[C@@H](C)O 240690a_100016988866_100011933948 [0,1,0,0,0,1|2,0,0]=4 1931 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 2708a_100016988866_100138425928 [0,1,0,0,0,1|2,0,0]=4 1932 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 2708a_100138425928_100016988866 [0,1,0,0,0,1|2,0,0]=4 1933 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 273464a_100138425928_100016988866 [0,1,0,0,0,1|2,0,0]=4 1934 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 512a_100016988866_100138425928 [0,1,0,0,0,1|2,0,0]=4 1935 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 512a_100138425928_100016988866 [0,1,0,0,0,1|2,0,0]=4 1936 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 2708a_100000168517_100015525214 [0,1,0,0,0,1|2,0,0]=4 1937 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 2708a_100015525214_100000168517 [0,1,0,0,0,1|2,0,0]=4 1938 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 273464a_100000168517_100015525214 [0,1,0,0,0,1|2,0,0]=4 1939 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 273464a_100015525214_100000168517 [0,1,0,0,0,1|2,0,0]=4 1940 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 512a_100000168517_100015525214 [0,1,0,0,0,1|2,0,0]=4 1941 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 512a_100015525214_100000168517 [0,1,0,0,0,1|2,0,0]=4 1942 B12R0.272 CCOC(=O)C=CC(=O)CC(C)C 1458a_100000210415_100000210624 [0,1,0,0,0,1|1,0,1]=4 1943 B12R0.272 CCOC(=O)C=CC(=O)CC(C)O 1458a_100000210415_100011218427 [0,1,0,0,0,1|1,0,1]=4 1944 B12R0.272 CCOC(=O)C=CC(=O)NC(C)C 1626a_100138425928_100000210415 [0,1,0,0,0,1|1,0,1]=4 1945 B12R0.272 CCOC(=O)C=CC(=O)NC(C)C 240690a_100138425928_100000210415 [0,1,0,0,0,1|1,0,1]=4 1946 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [0,1,0,0,0,1|1,0,0]=3 1947 B12R0.272 CCOC(=O)CCC(=O)CC(C)O 1458a_100000183558_100011218427 [0,1,0,0,0,1|1,0,0]=3 1948 B12R0.272 CCOC(=O)CCC(=O)CC(F)F 1458a_100000183558_100011934356 [0,1,0,0,0,1|2,0,0]=4 1949 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 11a_100138425928_100000183558 [0,1,0,0,0,1|1,0,0]=3 1950 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000183558 [0,1,0,0,0,1|1,0,0]=3 1951 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000183558 [0,1,0,0,0,1|1,0,0]=3 1952 B12R0.272 CCOC(=O)CCC(C)OC(C)C 34a_100000212225_100000748298 [0,1,0,0,0,1|1,0,1]=4 1953 B12R0.272 CCOC(=O)CNC(=O)C=C(C)C 188690a_100000741813_100000211388 [0,1,0,0,0,1|1,0,1]=4 1954 B12R0.272 CCOC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100011215850 [0,1,0,0,0,1|1,0,1]=4 1955 B12R0.272 CCOC(=O)CNC(=O)CC(C)C 188690a_100000741813_100000210554 [0,1,0,0,0,1|1,0,0]=3 1956 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 188690a_100000741813_100000750896 [0,1,0,0,0,1|2,0,0]=4 1957 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 2230a_100102631434_100011215850 [0,1,0,0,0,1|2,0,0]=4 1958 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 269982a_100102631434_100011215850 [0,1,0,0,0,1|2,0,0]=4 1959 B12R0.272 CCOC(=O)CNC(=O)C[C@@H](C)O 188690a_100000741813_100011933948 [0,1,0,0,0,1|1,0,0]=3 1960 B12R0.272 CCOC(=O)CNC(=O)C[S+](C)C 188690a_100000741813_200159257847 [0,1,0,0,0,1|2,0,0]=4 1961 B12R0.272 CCOC(=O)NCC(=O)CC(C)C 1458a_100000190774_100000210624 [0,1,0,0,0,1|1,0,0]=3 1962 B12R0.272 CCOC(=O)NCC(=O)CC(C)O 1458a_100000190774_100011218427 [0,1,0,0,0,1|1,0,0]=3 1963 B12R0.272 CCOC(=O)NCC(=O)CC(F)F 1458a_100000190774_100011934356 [0,1,0,0,0,1|2,0,0]=4 1964 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 11a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 1965 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 1966 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 1967 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 527a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 1968 B12R0.272 COCC(=O)CCC(=O)OC(C)C 1458a_100000210968_100000760027 [0,1,0,0,0,1|2,0,0]=4 1969 B12R0.272 COCC(=O)COC(=O)OC(C)C 1458a_100000210968_100000003507 [0,1,0,0,0,1|2,0,0]=4 1970 B12R0.272 CSCC(=O)CCC(=O)OC(C)C 1458a_100000184570_100000760027 [0,1,0,0,0,1|2,0,0]=4 1971 B12R0.272 CSCC(=O)COC(=O)OC(C)C 1458a_100000184570_100000003507 [0,1,0,0,0,1|2,0,0]=4 1972 B12R0.2 C#CCCC(=O)CC(=O)OC(C)C 1458a_100000692101_100011215430 [0,2,0,0,0,0|1,0,1]=4 1973 B12R0.2 C=C(CC(=O)CC(C)C)OCOC 1458a_100000210554_100000042856 [0,2,0,0,0,0|2,0,0]=4 1974 B12R0.2 C=C(CC(=O)C[C@@H](C)O)OCOC 1458a_100011933948_100000042856 [0,2,0,0,0,0|2,0,0]=4 1975 B12R0.2 C=CCCC(=O)CC(=O)OC(C)C 1458a_100000749702_100011215430 [0,2,0,0,0,0|1,0,1]=4 1976 B12R0.2 C=CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000033060 [0,2,0,0,0,0|1,0,1]=4 1977 B12R0.2 C=CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000033060 [0,2,0,0,0,0|1,0,1]=4 1978 B12R0.2 CC(C)OC(=O)CC(=O)C#CCO 1458a_100000049017_100011215430 [0,2,0,0,0,0|1,0,1]=4 1979 B12R0.2 CC(C)OC(=O)CC(=O)CCC#N 1458a_100011934036_100011215430 [0,2,0,0,0,0|1,0,1]=4 1980 B12R0.2 CC=CCC(=O)CC(=O)OC(C)C 1458a_100121576822_100011215430 [0,2,0,0,0,0|1,0,1]=4 1981 B12R0.2 CCC#CC(=O)CC(=O)NC(C)C 1458a_100011827653_100000183996 [0,2,0,0,0,0|2,0,0]=4 1982 B12R0.2 CCC#CC(=O)CC(=O)OC(C)C 1458a_100011827653_100011215430 [0,2,0,0,0,0|1,0,0]=3 1983 B12R0.2 CCC=CC(=O)CC(=O)NC(C)C 1458a_100000212282_100000183996 [0,2,0,0,0,0|2,0,0]=4 1984 B12R0.2 CCC=CC(=O)CC(=O)OC(C)C 1458a_100000212282_100011215430 [0,2,0,0,0,0|1,0,0]=3 1985 B12R0.2 CCCCC(=O)CC(=O)NC(C)C 1458a_100000210183_100000183996 [0,2,0,0,0,0|2,0,0]=4 1986 B12R0.2 CCCCC(=O)CC(=O)OC(C)C 1458a_100000210183_100011215430 [0,2,0,0,0,0|1,0,0]=3 1987 B12R0.2 CCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183358 [0,2,0,0,0,0|2,0,0]=4 1988 B12R0.2 CCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183358 [0,2,0,0,0,0|2,0,0]=4 1989 B12R0.2 CCCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_200011215008 [0,2,0,0,0,0|1,0,1]=4 1990 B12R0.2 CCCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_200011215008 [0,2,0,0,0,0|1,0,1]=4 1991 B12R0.2 CCCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_200011215008 [0,2,0,0,0,0|1,0,1]=4 1992 B12R0.2 CCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200011215008 [0,2,0,0,0,0|1,0,0]=3 1993 B12R0.2 CCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_200011215008 [0,2,0,0,0,0|2,0,0]=4 1994 B12R0.2 CCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200011215008 [0,2,0,0,0,0|1,0,0]=3 1995 B12R0.2 CCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_200011215008 [0,2,0,0,0,0|2,0,0]=4 1996 B12R0.2 CCOCC(=O)CC(=O)NC(=O)C 1458a_100000211967_100000183797 [0,2,0,0,0,0|1,0,1]=4 1997 B12R0.2 CCOCC(=O)CC(=O)NC(C)C 1458a_100000211967_100000183996 [0,2,0,0,0,0|1,0,0]=3 1998 B12R0.2 CCOCC(=O)CC(=O)OC(C)C 1458a_100000211967_100011215430 [0,2,0,0,0,0|0,0,0]=2 1999 B12R0.2 CCSCC(=O)CC(=O)NC(C)C 1458a_100000230394_100000183996 [0,2,0,0,0,0|1,1,0]=4 2000 B12R0.2 CCSCC(=O)CC(=O)OC(C)C 1458a_100000230394_100011215430 [0,2,0,0,0,0|0,1,0]=3 2001 B12R0.2 COC=CC(=O)CC(=O)OC(C)C 1458a_100016268678_100011215430 [0,2,0,0,0,0|1,0,1]=4 2002 B12R0.2 COCCC(=O)CC(=O)NC(C)C 1458a_100000749529_100000183996 [0,2,0,0,0,0|2,0,0]=4 2003 B12R0.2 COCCC(=O)CC(=O)OC(C)C 1458a_100000749529_100011215430 [0,2,0,0,0,0|1,0,0]=3 2004 B12R0.2 CSCCC(=O)CC(=O)NC(C)C 1458a_100000174002_100000183996 [0,2,0,0,0,0|2,0,0]=4 2005 B12R0.2 CSCCC(=O)CC(=O)OC(C)C 1458a_100000174002_100011215430 [0,2,0,0,0,0|1,0,0]=3 2006 B12R0.3 CC(=CC(=O)CC(=O)OC(C)C)C 1458a_100000211388_100011215430 [0,2,0,0,0,0|1,0,1]=4 2007 B12R0.3 CC(=CC(=O)CC(=O)OC(C)C)Cl 1458a_200042562850_100011215430 [0,2,0,0,0,0|1,0,1]=4 2008 B12R0.3 CC(=CC(=O)CC(=O)OC(C)C)I 1458a_100025716642_100011215430 [0,2,0,0,0,0|1,0,1]=4 2009 B12R0.3 CC(C)CC(=O)CC(=O)NC(C)C 1458a_100000210554_100000183996 [0,2,0,0,0,0|2,0,0]=4 2010 B12R0.3 CC(C)CC(=O)CC(=O)OC(C)C 1458a_100000210554_100011215430 [0,2,0,0,0,0|1,0,0]=3 2011 B12R0.3 CC(C)NC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183996 [0,2,0,0,0,0|2,0,0]=4 2012 B12R0.3 CC(C)OC(=O)CC(=O)CN(C)C 1458a_100000750896_100011215430 [0,2,0,0,0,0|2,0,0]=4 2013 B12R0.3 CC(C)OC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011215430 [0,2,0,0,0,0|1,0,0]=3 2014 B12R0.3 CC(C)OC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100011215430 [0,2,0,0,0,0|2,0,0]=4 2015 B12R0.18 CCOC(=O)C[C@@H](CCl)OC(C)C 7a_100000688340_100000210206 [0,2,0,0,0,0|1,0,1]=4 2016 B12R0.20 CCCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747444 [0,2,0,0,0,0|2,0,0]=4 2017 B12R0.20 CCCC(=O)CC(=O)N(C)C(C)C 1458a_100000211992_100000230190 [0,2,0,0,0,0|2,0,0]=4 2018 B12R0.20 CCCC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000747444 [0,2,0,0,0,0|2,0,0]=4 2019 B12R0.20 CCNC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000183381 [0,2,0,0,0,0|2,0,0]=4 2020 B12R0.20 CCNC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000183381 [0,2,0,0,0,0|2,0,0]=4 2021 B12R0.20 CCOC(=O)CC(=O)C(=O)N(C)C 1458a_100011218876_100000188475 [0,2,0,0,0,0|2,0,0]=4 2022 B12R0.20 CCOC(=O)CC(=O)C(C)C(=O)C 1458a_100000070787_100010090504 [0,2,0,0,0,0|1,0,1]=4 2023 B12R0.20 CCOC(=O)CC(=O)C(C)C(=O)C 1458a_100000243816_100000179758 [0,2,0,0,0,0|1,0,1]=4 2024 B12R0.20 CCOC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000188475 [0,2,0,0,0,0|1,0,0]=3 2025 B12R0.20 CCOC(=O)CC(=O)C(C)N(C)C 269982a_100102631434_100010090504 [0,2,0,0,0,0|2,0,0]=4 2026 B12R0.20 CCOC(=O)CC(=O)N(C)C(C)C 240690a_200000211004_100000243816 [0,2,0,0,0,0|1,0,0]=3 2027 B12R0.20 CCOC(=O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000188475 [0,2,0,0,0,0|2,0,0]=4 2028 B12R0.20 CCOC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000188475 [0,2,0,0,0,0|1,0,0]=3 2029 B12R0.68 C#CC(C)NC(=O)CC(=O)OCC 240690a_100000707721_100000243816 [0,2,0,0,0,0|1,0,0]=3 2030 B12R0.68 C#C[C@@H](C)OC(C)CC(=O)OCC 7a_100009815206_100009817359 [0,2,0,0,0,0|1,0,1]=4 2031 B12R0.68 C=CC(C)CC(=O)CC(=O)CCC 1458a_100011934298_100000747444 [0,2,0,0,0,0|2,0,0]=4 2032 B12R0.68 C=CC(C)CC(=O)CC(=O)NCC 1458a_100011934298_100000183381 [0,2,0,0,0,0|2,0,0]=4 2033 B12R0.68 C=CC(C)CC(=O)CC(=O)OCC 1458a_100011934298_100000188475 [0,2,0,0,0,0|1,0,0]=3 2034 B12R0.68 CCCC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000747444 [0,2,0,0,0,0|2,0,0]=4 2035 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [0,2,0,0,0,0|2,0,0]=4 2036 B12R0.68 CCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747444 [0,2,0,0,0,0|2,0,0]=4 2037 B12R0.68 CCCC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000747444 [0,2,0,0,0,0|2,0,0]=4 2038 B12R0.68 CCCC(=O)CC(=O)NC(C)CC 1458a_100000211992_100000182745 [0,2,0,0,0,0|2,0,0]=4 2039 B12R0.68 CCNC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000183381 [0,2,0,0,0,0|2,0,0]=4 2040 B12R0.68 CCNC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000183381 [0,2,0,0,0,0|2,0,0]=4 2041 B12R0.68 CCNC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000183381 [0,2,0,0,0,0|2,0,0]=4 2042 B12R0.68 CCNC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000183381 [0,2,0,0,0,0|2,0,0]=4 2043 B12R0.68 CCOC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000188475 [0,2,0,0,0,0|1,0,0]=3 2044 B12R0.68 CCOC(=O)CC(=O)CC(=O)CC 1458a_100000243816_100000747405 [0,2,0,0,0,0|1,0,0]=3 2045 B12R0.68 CCOC(=O)CC(=O)CC(=O)NC 1458a_100000243816_100000183359 [0,2,0,0,0,0|1,0,1]=4 2046 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000188475 [0,2,0,0,0,0|1,0,1]=4 2047 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000243816_100000747449 [0,2,0,0,0,0|1,0,1]=4 2048 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000243816_100000748023 [0,2,0,0,0,0|1,0,0]=3 2049 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000188475 [0,2,0,0,0,0|1,0,0]=3 2050 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100000243816_100011218378 [0,2,0,0,0,0|1,0,0]=3 2051 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000188475 [0,2,0,0,0,0|1,0,0]=3 2052 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000188475 [0,2,0,0,0,0|1,0,0]=3 2053 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 269982a_100000225621_100000210311 [0,2,0,0,0,0|1,0,0]=3 2054 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CC 1458a_100000243816_100009816398 [0,2,0,0,0,0|1,0,0]=3 2055 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CO 1458a_100000243816_100000059175 [0,2,0,0,0,0|1,0,0]=3 2056 B12R0.68 CCOC(=O)CC(=O)NC(C)CC 240690a_100000209981_100000243816 [0,2,0,0,0,0|1,0,0]=3 2057 B12R0.68 CCOC(=O)CC(=O)N[C@H](C)CF 240690a_100102880703_100000243816 [0,2,0,0,0,0|1,0,0]=3 2058 B12R0.68 CCOC(=O)CC(=O)N[C@H](C)CO 240690a_100000737577_100000243816 [0,2,0,0,0,0|1,0,0]=3 2059 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [0,2,0,0,0,0|1,0,1]=4 2060 B12R0.68 CCOC(=O)CC(C)OC(C)CF 7a_100016041109_100009817359 [0,2,0,0,0,0|1,0,1]=4 2061 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)C#N 7a_100009816390_100000703298 [0,2,0,0,0,0|1,0,1]=4 2062 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [0,2,0,0,0,0|1,0,1]=4 2063 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CO 7a_100009816390_100012180447 [0,2,0,0,0,0|1,0,1]=4 2064 B12R0.68 CCOC(=O)NC(=O)CC(=O)CC 1458a_100000210414_100000010344 [0,2,0,0,0,0|2,0,0]=4 2065 B12R0.68 CCOC(=O)NC(=O)CN(C)CC 269982a_100000225621_100000010344 [0,2,0,0,0,0|2,0,0]=4 2066 B12R0.78 CC#CC(=O)CC(=O)OC(C)(C)C 1458a_100000763181_100000183872 [0,2,0,0,0,0|1,0,1]=4 2067 B12R0.78 CC(C)(C)OC(=O)CC(=O)CCF 1458a_100000033093_100011217306 [0,2,0,0,0,0|2,0,0]=4 2068 B12R0.78 CC(C)(C)OC(=O)CC(=O)CCO 1458a_100000033093_100000211926 [0,2,0,0,0,0|2,0,0]=4 2069 B12R0.78 CC(C)(C)OC(=O)CC(=O)CCO 1458a_100011216618_100000183872 [0,2,0,0,0,0|2,0,0]=4 2070 B12R0.78 CC(C)(C)OC(=O)CC(=O)CS[13CH3] 62a_100000074303_200025704644 [0,2,0,0,0,0|2,0,0]=4 2071 B12R0.78 CC(C)(C)OC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000074303 [0,2,0,0,0,0|2,0,0]=4 2072 B12R0.78 CC=CC(=O)CC(=O)OC(C)(C)C 1458a_100000210699_100000183872 [0,2,0,0,0,0|1,0,1]=4 2073 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000747444 [0,2,0,0,0,0|2,0,0]=4 2074 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000747444 [0,2,0,0,0,0|2,0,0]=4 2075 B12R0.78 CCCC(=O)CC(=O)NC(C)(C)C 1458a_100000211992_100000182746 [0,2,0,0,0,0|2,0,0]=4 2076 B12R0.78 CCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000210303 [0,2,0,0,0,0|1,0,0]=3 2077 B12R0.78 CCCC(=O)CC(=O)OC(C)(C)C 1458a_100000211992_100000183872 [0,2,0,0,0,0|1,0,0]=3 2078 B12R0.78 CCCC(=O)CC(=O)O[Si](C)(C)C 1458a_100000211992_200009813336 [0,2,0,0,0,0|1,1,0]=4 2079 B12R0.78 CCNC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000183381 [0,2,0,0,0,0|2,0,0]=4 2080 B12R0.78 CCNC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000183381 [0,2,0,0,0,0|2,0,0]=4 2081 B12R0.78 CCNC(=O)CC(=O)OC(C)(C)C 11a_100015525214_100000033093 [0,2,0,0,0,0|1,0,0]=3 2082 B12R0.78 CCNC(=O)CC(=O)OC(C)(C)C 269946c_100015525214_100000033093 [0,2,0,0,0,0|1,0,0]=3 2083 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000188475 [0,2,0,0,0,0|1,0,0]=3 2084 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000188475 [0,2,0,0,0,0|1,0,0]=3 2085 B12R0.78 CCOC(=O)CC(=O)CC(F)(F)F 1458a_100000245130_100000188475 [0,2,0,0,0,0|2,0,0]=4 2086 B12R0.78 CCOC(=O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000188475 [0,2,0,0,0,0|2,0,0]=4 2087 B12R0.78 CCOC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000188475 [0,2,0,0,0,0|2,0,0]=4 2088 B12R0.78 CCOC(=O)CC(=O)C[Si](C)(C)C 1458a_100000243816_100000233785 [0,2,0,0,0,0|1,1,0]=4 2089 B12R0.78 CCOC(=O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000188475 [0,2,0,0,0,0|1,1,0]=4 2090 B12R0.78 CCOC(=O)CC(=O)NC(C)(C)C 240690a_100000715429_100000243816 [0,2,0,0,0,0|1,0,0]=3 2091 B12R0.78 CCOC(=O)CC(C)OC(C)(C)C 7a_100015890283_100009817359 [0,2,0,0,0,0|1,0,1]=4 2092 B12R0.78 CCO[C@@H](C)CC(=O)OC(C)(C)C 7a_100000138086_100000210202 [0,2,0,0,0,0|1,0,1]=4 2093 B12R0.78 CNNC(=O)CC(=O)OC(C)(C)C 22a_100016993582_100000033093 [0,2,0,0,0,0|2,0,0]=4 2094 B12R0.78 COCC(=O)CC(=O)OC(C)(C)C 1458a_100000210968_100000183872 [0,2,0,0,0,0|2,0,0]=4 2095 B12R0.78 CSCC(=O)CC(=O)OC(C)(C)C 1458a_100000184570_100000183872 [0,2,0,0,0,0|2,0,0]=4 2096 B12R0.78 CSCC(=O)CC(=O)OC(C)(C)C 62a_100000074303_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B12R0.78 CSCC(=O)CC(=O)OC(C)(C)C 62a_200000210301_100000074303 [0,2,0,0,0,0|2,0,0]=4 2098 B12R0.191 C=C(C)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100000748629 [0,2,0,0,0,0|1,0,1]=4 2099 B12R0.191 CCCC(=O)C(C)C(=O)NC(C)C 1458a_100000211992_100000195394 [0,2,0,0,0,0|2,0,0]=4 2100 B12R0.191 CCNC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000230173 [0,2,0,0,0,0|2,0,0]=4 2101 B12R0.191 CCNC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000230173 [0,2,0,0,0,0|2,0,0]=4 2102 B12R0.191 CCOC(=O)C(C)C(=O)C=C(C)C 1458a_100000211388_100011216346 [0,2,0,0,0,0|1,0,1]=4 2103 B12R0.191 CCOC(=O)C(C)C(=O)C=C(C)Cl 1458a_200042562850_100011216346 [0,2,0,0,0,0|1,0,1]=4 2104 B12R0.191 CCOC(=O)C(C)C(=O)C=C(C)I 1458a_100025716642_100011216346 [0,2,0,0,0,0|1,0,1]=4 2105 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100011216346 [0,2,0,0,0,0|1,0,0]=3 2106 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100132301724_100000210624 [0,2,0,0,0,0|1,0,0]=3 2107 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)O 1458a_100132301724_100011218427 [0,2,0,0,0,0|1,0,0]=3 2108 B12R0.191 CCOC(=O)C(C)C(=O)CC(F)F 1458a_100132301724_100011934356 [0,2,0,0,0,0|2,0,0]=4 2109 B12R0.191 CCOC(=O)C(C)C(=O)CN(C)C 1458a_100000750896_100011216346 [0,2,0,0,0,0|2,0,0]=4 2110 B12R0.191 CCOC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011216346 [0,2,0,0,0,0|1,0,0]=3 2111 B12R0.191 CCOC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100011216346 [0,2,0,0,0,0|2,0,0]=4 2112 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 11a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 2113 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 1626a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 2114 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 240690a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 2115 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 527a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 2116 B12R0.191 CCOC(=O)C(F)C(=O)C=C(C)C 1458a_100000211388_100000760018 [0,2,0,0,0,0|1,0,1]=4 2117 B12R0.191 CCOC(=O)C(F)C(=O)C=C(C)Cl 1458a_200042562850_100000760018 [0,2,0,0,0,0|1,0,1]=4 2118 B12R0.191 CCOC(=O)C(F)C(=O)C=C(C)I 1458a_100025716642_100000760018 [0,2,0,0,0,0|1,0,1]=4 2119 B12R0.191 CCOC(=O)C(F)C(=O)CC(C)C 1458a_100000210554_100000760018 [0,2,0,0,0,0|1,0,0]=3 2120 B12R0.191 CCOC(=O)C(F)C(=O)CN(C)C 1458a_100000750896_100000760018 [0,2,0,0,0,0|2,0,0]=4 2121 B12R0.191 CCOC(=O)C(F)C(=O)C[C@@H](C)O 1458a_100011933948_100000760018 [0,2,0,0,0,0|1,0,0]=3 2122 B12R0.191 CCOC(=O)C(F)C(=O)C[S+](C)C 1458a_200159257847_100000760018 [0,2,0,0,0,0|2,0,0]=4 2123 B12R0.563 C/C=C(\C)/C(=O)CC(=O)OC(C)C 1458a_100020587367_100011215430 [0,2,0,0,0,0|1,0,1]=4 2124 B12R0.563 CC(C)OC(=O)CC(=O)C(O)CO 1458a_100011215603_100011215430 [0,2,0,0,0,0|2,0,0]=4 2125 B12R0.563 CCC(C)C(=O)CC(=O)NC(C)C 1458a_100011192722_100000183996 [0,2,0,0,0,0|2,0,0]=4 2126 B12R0.563 CCC(C)C(=O)CC(=O)OC(C)C 1458a_100011192722_100011215430 [0,2,0,0,0,0|1,0,0]=3 2127 B12R0.563 CCC(O)C(=O)CC(=O)NC(C)C 1458a_100011196387_100000183996 [0,2,0,0,0,0|2,0,0]=4 2128 B12R0.563 CCC(O)C(=O)CC(=O)OC(C)C 1458a_100011196387_100011215430 [0,2,0,0,0,0|1,0,0]=3 2129 B12R0.563 CCN(C)C(=O)CC(=O)CC(C)C 1458a_100000210554_100011894763 [0,2,0,0,0,0|2,0,0]=4 2130 B12R0.563 CCN(C)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011894763 [0,2,0,0,0,0|2,0,0]=4 2131 B12R0.563 CNC(=O)C(=O)CC(=O)OC(C)C 1458a_100011218921_100011215430 [0,2,0,0,0,0|2,0,0]=4 2132 B12R0.563 COC(C)C(=O)CC(=O)OC(C)C 1458a_100000743197_100011215430 [0,2,0,0,0,0|2,0,0]=4 2133 B12R0.563 CSC(C)C(=O)CC(=O)OC(C)C 1458a_100000149566_100011215430 [0,2,0,0,0,0|2,0,0]=4 2134 B12R0.744 CCOC(=O)CC(C)(C)OC(C)C 7a_100000765344_100000210206 [0,2,0,0,0,0|1,0,1]=4 2135 B12R0.744 CCOC(=O)CS(=O)(=O)NC(C)C 270084a_100138425928_100000738689 [0,2,0,0,0,0|2,0,0]=4 2136 B12R0.744 CCOC(=O)CS(=O)(=O)NC(C)C 274078a_100138425928_100000738689 [0,2,0,0,0,0|2,0,0]=4 2137 B12R0.103 C#CCCC(=O)CC(=O)OCCC 1458a_100000692101_200011215008 [0,2,0,0,0,0|1,0,1]=4 2138 B12R0.103 C=C(CC(=O)C#CCC)OCOC 1458a_100011827653_100000042856 [0,2,0,0,0,0|2,0,0]=4 2139 B12R0.103 C=C(CC(=O)C=CCC)OCOC 1458a_100000212282_100000042856 [0,2,0,0,0,0|2,0,0]=4 2140 B12R0.103 C=C(CC(=O)CCCC)OCOC 1458a_100000210183_100000042856 [0,2,0,0,0,0|2,0,0]=4 2141 B12R0.103 C=C(CC(=O)CCOC)OCOC 1458a_100000749529_100000042856 [0,2,0,0,0,0|2,0,0]=4 2142 B12R0.103 C=C(CC(=O)CCSC)OCOC 1458a_100000174002_100000042856 [0,2,0,0,0,0|2,0,0]=4 2143 B12R0.103 C=C(CC(=O)COCC)OCOC 1458a_100000211967_100000042856 [0,2,0,0,0,0|1,0,0]=3 2144 B12R0.103 C=C(CC(=O)CSCC)OCOC 1458a_100000230394_100000042856 [0,2,0,0,0,0|1,1,0]=4 2145 B12R0.103 C=CCCC(=O)CC(=O)OCCC 1458a_100000749702_200011215008 [0,2,0,0,0,0|1,0,1]=4 2146 B12R0.103 C=CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183597 [0,2,0,0,0,0|1,0,1]=4 2147 B12R0.103 C=CCOC(=O)CC(=O)C#CCC 1458a_100011827653_100000033060 [0,2,0,0,0,0|1,0,1]=4 2148 B12R0.103 C=CCOC(=O)CC(=O)C=CCC 1458a_100000212282_100000033060 [0,2,0,0,0,0|1,0,1]=4 2149 B12R0.103 C=CCOC(=O)CC(=O)CCCC 1458a_100000210183_100000033060 [0,2,0,0,0,0|1,0,1]=4 2150 B12R0.103 C=CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000033060 [0,2,0,0,0,0|1,0,1]=4 2151 B12R0.103 C=CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000033060 [0,2,0,0,0,0|1,0,1]=4 2152 B12R0.103 C=CCOC(=O)CC(=O)COCC 1458a_100000211967_100000033060 [0,2,0,0,0,0|0,0,1]=3 2153 B12R0.103 C=CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000033060 [0,2,0,0,0,0|0,1,1]=4 2154 B12R0.103 CC=CCC(=O)CC(=O)OCCC 1458a_100121576822_200011215008 [0,2,0,0,0,0|1,0,1]=4 2155 B12R0.103 CCC#CC(=O)CC(=O)NCCC 1458a_100011827653_100000183358 [0,2,0,0,0,0|2,0,0]=4 2156 B12R0.103 CCC#CC(=O)CC(=O)OCCC 1458a_100011827653_200011215008 [0,2,0,0,0,0|1,0,0]=3 2157 B12R0.103 CCC=CC(=O)CC(=O)NCCC 1458a_100000212282_100000183358 [0,2,0,0,0,0|2,0,0]=4 2158 B12R0.103 CCC=CC(=O)CC(=O)OCCC 1458a_100000212282_200011215008 [0,2,0,0,0,0|1,0,0]=3 2159 B12R0.103 CCCCC(=O)CC(=O)NCCC 1458a_100000210183_100000183358 [0,2,0,0,0,0|2,0,0]=4 2160 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,2,0,0,0,0|1,0,0]=3 2161 B12R0.103 CCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183358 [0,2,0,0,0,0|2,0,0]=4 2162 B12R0.103 CCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183358 [0,2,0,0,0,0|2,0,0]=4 2163 B12R0.103 CCCNC(=O)CC(=O)COCC 1458a_100000211967_100000183358 [0,2,0,0,0,0|1,0,0]=3 2164 B12R0.103 CCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183358 [0,2,0,0,0,0|1,1,0]=4 2165 B12R0.103 CCCOC(=O)CC(=NNCC)C 4a_100000756455_200000037925 [0,2,0,0,0,0|2,0,0]=4 2166 B12R0.103 CCCOC(=O)CC(=O)C#CCO 1458a_100000049017_200011215008 [0,2,0,0,0,0|1,0,1]=4 2167 B12R0.103 CCCOC(=O)CC(=O)C=COC 1458a_100016268678_200011215008 [0,2,0,0,0,0|1,0,1]=4 2168 B12R0.103 CCCOC(=O)CC(=O)CCC#N 1458a_100011934036_200011215008 [0,2,0,0,0,0|1,0,1]=4 2169 B12R0.103 CCCOC(=O)CC(=O)CCOC 1458a_100000749529_200011215008 [0,2,0,0,0,0|1,0,0]=3 2170 B12R0.103 CCCOC(=O)CC(=O)CCSC 1458a_100000174002_200011215008 [0,2,0,0,0,0|1,0,0]=3 2171 B12R0.103 CCCOC(=O)CC(=O)COCC 1458a_100000211967_200011215008 [0,2,0,0,0,0|0,0,0]=2 2172 B12R0.103 CCCOC(=O)CC(=O)CSCC 1458a_100000230394_200011215008 [0,2,0,0,0,0|0,1,0]=3 2173 B12R0.103 CCOCC(=O)CC(=O)NCC#N 1458a_100000211967_100000736037 [0,2,0,0,0,0|1,0,1]=4 2174 B12R0.134 C/C=C(\C)/C(=O)CC(=O)OCCC 1458a_100020587367_200011215008 [0,2,0,0,0,0|1,0,1]=4 2175 B12R0.134 C=C(CC(=O)C(C)CC)OCOC 1458a_100011192722_100000042856 [0,2,0,0,0,0|2,0,0]=4 2176 B12R0.134 C=C(CC(=O)C(O)CC)OCOC 1458a_100011196387_100000042856 [0,2,0,0,0,0|2,0,0]=4 2177 B12R0.134 C=CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000033060 [0,2,0,0,0,0|1,0,1]=4 2178 B12R0.134 C=CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000033060 [0,2,0,0,0,0|1,0,1]=4 2179 B12R0.134 CCC#CC(=O)CC(=O)N(C)CC 1458a_100011827653_100011894763 [0,2,0,0,0,0|2,0,0]=4 2180 B12R0.134 CCC=CC(=O)CC(=O)N(C)CC 1458a_100000212282_100011894763 [0,2,0,0,0,0|2,0,0]=4 2181 B12R0.134 CCCCC(=O)CC(=O)N(C)CC 1458a_100000210183_100011894763 [0,2,0,0,0,0|2,0,0]=4 2182 B12R0.134 CCCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183358 [0,2,0,0,0,0|2,0,0]=4 2183 B12R0.134 CCCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183358 [0,2,0,0,0,0|2,0,0]=4 2184 B12R0.134 CCCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_200011215008 [0,2,0,0,0,0|2,0,0]=4 2185 B12R0.134 CCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_200011215008 [0,2,0,0,0,0|1,0,0]=3 2186 B12R0.134 CCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_200011215008 [0,2,0,0,0,0|2,0,0]=4 2187 B12R0.134 CCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_200011215008 [0,2,0,0,0,0|2,0,0]=4 2188 B12R0.134 CCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_200011215008 [0,2,0,0,0,0|1,0,0]=3 2189 B12R0.134 CCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_200011215008 [0,2,0,0,0,0|2,0,0]=4 2190 B12R0.134 CCN(C)C(=O)CC(=O)CCOC 1458a_100000749529_100011894763 [0,2,0,0,0,0|2,0,0]=4 2191 B12R0.134 CCN(C)C(=O)CC(=O)CCSC 1458a_100000174002_100011894763 [0,2,0,0,0,0|2,0,0]=4 2192 B12R0.134 CCOCC(=O)CC(=O)N(C)CC 1458a_100000211967_100011894763 [0,2,0,0,0,0|1,0,0]=3 2193 B12R0.134 CCOCC(=O)CC(=O)N(C)OC 1458a_100000211967_100000764215 [0,2,0,0,0,0|2,0,0]=4 2194 B12R0.134 CCSCC(=O)CC(=O)N(C)CC 1458a_100000230394_100011894763 [0,2,0,0,0,0|1,1,0]=4 2195 B12R0.239 C#CCCCC(=O)CC(=O)CCC 1458a_100000690238_100000747444 [0,2,0,0,0,0|2,0,0]=4 2196 B12R0.239 C#CCCCC(=O)CC(=O)NCC 1458a_100000690238_100000183381 [0,2,0,0,0,0|2,0,0]=4 2197 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,2,0,0,0,0|1,0,0]=3 2198 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,2,0,0,0,0|1,0,0]=3 2199 B12R0.239 C#CCCNC(=O)CC(=O)OCC 240690a_100000755551_100000243816 [0,2,0,0,0,0|1,0,0]=3 2200 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000688953 [0,2,0,0,0,0|1,0,1]=4 2201 B12R0.239 C#CCOCC(=O)CC(=O)CCC 1458a_100011251226_100000747444 [0,2,0,0,0,0|1,0,1]=4 2202 B12R0.239 C#CCOCC(=O)CC(=O)NCC 1458a_100011251226_100000183381 [0,2,0,0,0,0|1,0,1]=4 2203 B12R0.239 C#CCOCC(=O)CC(=O)OCC 1458a_100011251226_100000188475 [0,2,0,0,0,0|0,0,1]=3 2204 B12R0.239 C#CCSCC(=O)CC(=O)OCC 62a_100000038162_100000210311 [0,2,0,0,0,0|0,1,1]=4 2205 B12R0.239 C/C=C/C=CC(=O)CC(=O)OCC 1458a_100000185730_100000188475 [0,2,0,0,0,0|1,0,1]=4 2206 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 7a_100009816390_100102629194 [0,2,0,0,0,0|1,0,1]=4 2207 B12R0.239 C=C(CCC)CC(=O)CCOCC 1458a_100000138376_100011215890 [0,2,0,0,0,0|2,0,0]=4 2208 B12R0.239 C=CCCCC(=O)CC(=O)CCC 1458a_100000766728_100000747444 [0,2,0,0,0,0|2,0,0]=4 2209 B12R0.239 C=CCCCC(=O)CC(=O)NCC 1458a_100000766728_100000183381 [0,2,0,0,0,0|2,0,0]=4 2210 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,2,0,0,0,0|1,0,0]=3 2211 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,2,0,0,0,0|1,0,0]=3 2212 B12R0.239 C=CCCNC(=O)CC(=O)OCC 240690a_100015191253_100000243816 [0,2,0,0,0,0|1,0,0]=3 2213 B12R0.239 C=CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000754431 [0,2,0,0,0,0|1,0,1]=4 2214 B12R0.239 C=CCNNC(=O)CC(=O)OCC 22a_100020588587_100000243816 [0,2,0,0,0,0|1,0,1]=4 2215 B12R0.239 C=CCSCC(=O)CC(=O)OCC 1458a_100000230395_100000188475 [0,2,0,0,0,0|0,1,1]=4 2216 B12R0.239 C=CCSCC(=O)CC(=O)OCC 62a_100000210311_100000210623 [0,2,0,0,0,0|0,1,1]=4 2217 B12R0.239 C=CCSCC(=O)CC(=O)OCC 62a_100000210623_100000210311 [0,2,0,0,0,0|0,1,1]=4 2218 B12R0.239 C=COC(=O)CC(=O)C=COCC 1458a_100016266692_100000036128 [0,2,0,0,0,0|0,0,2]=4 2219 B12R0.239 C=COC(=O)CC(=O)CCOCC 1458a_100000749530_100000036128 [0,2,0,0,0,0|0,0,2]=4 2220 B12R0.239 C=COC(=O)CC(=O)COCCC 1458a_100000745993_100000036128 [0,2,0,0,0,0|0,0,2]=4 2221 B12R0.239 C=COC(=O)CC(=O)COCCO 1458a_100000708028_100000036128 [0,2,0,0,0,0|0,0,2]=4 2222 B12R0.239 C=COCCC(=O)CC(=O)OCC 1458a_100000243816_100000039644 [0,2,0,0,0,0|0,0,2]=4 2223 B12R0.239 CC#CC(=O)CC(=O)OCCCC 1458a_100000763181_100000211628 [0,2,0,0,0,0|1,0,1]=4 2224 B12R0.239 CC#CC(=O)CC(=O)OCCOC 1458a_100000763181_200000040189 [0,2,0,0,0,0|1,0,1]=4 2225 B12R0.239 CC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000748600 [0,2,0,0,0,0|1,0,1]=4 2226 B12R0.239 CC/C=C/CC(=O)CC(=O)CCC 1458a_100016274230_100000747444 [0,2,0,0,0,0|2,0,0]=4 2227 B12R0.239 CC/C=C/CC(=O)CC(=O)NCC 1458a_100016274230_100000183381 [0,2,0,0,0,0|2,0,0]=4 2228 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,2,0,0,0,0|1,0,0]=3 2229 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,2,0,0,0,0|1,0,0]=3 2230 B12R0.239 CC=CC(=O)CC(=O)OCCCC 1458a_100000210699_100000211628 [0,2,0,0,0,0|1,0,1]=4 2231 B12R0.239 CC=CC(=O)CC(=O)OCCOC 1458a_100000210699_200000040189 [0,2,0,0,0,0|1,0,1]=4 2232 B12R0.239 CC=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000070051 [0,2,0,0,0,0|1,0,1]=4 2233 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,2,0,0,0,0|1,0,0]=3 2234 B12R0.239 CCCC#CC(=O)CC(=O)CCC 1458a_200011218047_100000747444 [0,2,0,0,0,0|2,0,0]=4 2235 B12R0.239 CCCC#CC(=O)CC(=O)NCC 1458a_200011218047_100000183381 [0,2,0,0,0,0|2,0,0]=4 2236 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,2,0,0,0,0|1,0,0]=3 2237 B12R0.239 CCCC(=O)CC(=O)C=CCOC 1458a_100016285016_100000747444 [0,2,0,0,0,0|2,0,0]=4 2238 B12R0.239 CCCC(=O)CC(=O)C=COCC 1458a_100016266692_100000747444 [0,2,0,0,0,0|1,0,0]=3 2239 B12R0.239 CCCC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747444 [0,2,0,0,0,0|2,0,0]=4 2240 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,2,0,0,0,0|2,0,0]=4 2241 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,2,0,0,0,0|2,0,0]=4 2242 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,2,0,0,0,0|2,0,0]=4 2243 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,2,0,0,0,0|1,0,0]=3 2244 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,2,0,0,0,0|1,1,0]=4 2245 B12R0.239 CCCC(=O)CC(=O)COCCO 1458a_100000708028_100000747444 [0,2,0,0,0,0|1,0,0]=3 2246 B12R0.239 CCCC(=O)CC(=O)NCCOC 1458a_100000211992_100000183275 [0,2,0,0,0,0|2,0,0]=4 2247 B12R0.239 CCCC(=O)CC(=O)OCCOC 1458a_100000211992_200000040189 [0,2,0,0,0,0|1,0,0]=3 2248 B12R0.239 CCCC=CC(=O)CC(=O)CCC 1458a_100000212230_100000747444 [0,2,0,0,0,0|2,0,0]=4 2249 B12R0.239 CCCC=CC(=O)CC(=O)NCC 1458a_100000212230_100000183381 [0,2,0,0,0,0|2,0,0]=4 2250 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,2,0,0,0,0|1,0,0]=3 2251 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|2,0,0]=4 2252 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|2,0,0]=4 2253 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|2,0,0]=4 2254 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|1,0,0]=3 2255 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|1,0,0]=3 2256 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,2,0,0,0,0|2,0,0]=4 2257 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,2,0,0,0,0|1,0,0]=3 2258 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|1,0,0]=3 2259 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [0,2,0,0,0,0|2,0,0]=4 2260 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,2,0,0,0,0|2,0,0]=4 2261 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [0,2,0,0,0,0|2,0,0]=4 2262 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,2,0,0,0,0|1,0,1]=4 2263 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,2,0,0,0,0|1,0,1]=4 2264 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,2,0,0,0,0|1,0,0]=3 2265 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,2,0,0,0,0|1,0,1]=4 2266 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,2,0,0,0,0|1,0,0]=3 2267 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,2,0,0,0,0|1,0,0]=3 2268 B12R0.239 CCCOCC(=O)CC(=O)NCO 1458a_100000745993_100000185155 [0,2,0,0,0,0|2,0,0]=4 2269 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|0,0,0]=2 2270 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,2,0,0,0,0|0,0,2]=4 2271 B12R0.239 CCCS(=O)CC(=O)CCOCC 1458a_100011387404_100011215890 [0,2,0,0,0,0|2,0,0]=4 2272 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,2,0,0,0,0|1,1,0]=4 2273 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,2,0,0,0,0|1,1,0]=4 2274 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,2,0,0,0,0|0,1,0]=3 2275 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,2,0,0,0,0|0,1,0]=3 2276 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,2,0,0,0,0|0,1,0]=3 2277 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,2,0,0,0,0|1,1,0]=4 2278 B12R0.239 CCNC(=O)CC(=O)C=CCOC 1458a_100016285016_100000183381 [0,2,0,0,0,0|2,0,0]=4 2279 B12R0.239 CCNC(=O)CC(=O)C=COCC 1458a_100016266692_100000183381 [0,2,0,0,0,0|1,0,0]=3 2280 B12R0.239 CCNC(=O)CC(=O)CCCC#N 1458a_100000075515_100000183381 [0,2,0,0,0,0|2,0,0]=4 2281 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,2,0,0,0,0|2,0,0]=4 2282 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,2,0,0,0,0|2,0,0]=4 2283 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,2,0,0,0,0|2,0,0]=4 2284 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,2,0,0,0,0|1,0,0]=3 2285 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,2,0,0,0,0|1,1,0]=4 2286 B12R0.239 CCNC(=O)CC(=O)COCCO 1458a_100000708028_100000183381 [0,2,0,0,0,0|1,0,0]=3 2287 B12R0.239 CCOC(=O)C=C(C)COCCBr 34a_100000211926_100135422193 [0,2,0,0,0,0|1,0,1]=4 2288 B12R0.239 CCOC(=O)C=C(C)COCCN 34a_100000210304_100135422193 [0,2,0,0,0,0|1,0,1]=4 2289 B12R0.239 CCOC(=O)CC(=O)C=CCOC 1458a_100016285016_100000188475 [0,2,0,0,0,0|1,0,0]=3 2290 B12R0.239 CCOC(=O)CC(=O)CC#CCO 1458a_100000243816_200000047223 [0,2,0,0,0,0|1,0,1]=4 2291 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,2,0,0,0,0|1,0,0]=3 2292 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,2,0,0,0,0|1,0,0]=3 2293 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,2,0,0,0,0|1,0,0]=3 2294 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,2,0,0,0,0|1,0,0]=3 2295 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,2,0,0,0,0|1,0,0]=3 2296 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,2,0,0,0,0|1,0,0]=3 2297 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,2,0,0,0,0|1,0,0]=3 2298 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,2,0,0,0,0|1,0,0]=3 2299 B12R0.239 CCOC(=O)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000188475 [0,2,0,0,0,0|2,0,0]=4 2300 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,2,0,0,0,0|0,1,0]=3 2301 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,2,0,0,0,0|0,1,0]=3 2302 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,2,0,0,0,0|0,0,0]=2 2303 B12R0.239 CCOC(=O)CC(=O)CSCC#N 1458a_100000150266_100000188475 [0,2,0,0,0,0|0,1,1]=4 2304 B12R0.239 CCOC(=O)CC(=O)CSCC#N 62a_100000210311_100011215382 [0,2,0,0,0,0|0,1,1]=4 2305 B12R0.239 CCOC(=O)CC(=O)CSCC#N 62a_100011215382_100000210311 [0,2,0,0,0,0|0,1,1]=4 2306 B12R0.239 CCOC(=O)CC(=O)CSCC=O 62a_100000210311_200015260668 [0,2,0,0,0,0|0,1,1]=4 2307 B12R0.239 CCOC(=O)CC(=O)CSCC=O 62a_200015260668_100000210311 [0,2,0,0,0,0|0,1,1]=4 2308 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,2,0,0,0,0|0,1,0]=3 2309 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,2,0,0,0,0|0,1,0]=3 2310 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,2,0,0,0,0|0,1,0]=3 2311 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,2,0,0,0,0|0,1,0]=3 2312 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,2,0,0,0,0|0,1,0]=3 2313 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,2,0,0,0,0|0,1,0]=3 2314 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,2,0,0,0,0|0,1,0]=3 2315 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,2,0,0,0,0|0,1,0]=3 2316 B12R0.239 CCOC(=O)CC(=O)NCCC#N 240690a_100000720768_100000243816 [0,2,0,0,0,0|1,0,0]=3 2317 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,2,0,0,0,0|1,0,0]=3 2318 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,2,0,0,0,0|1,0,0]=3 2319 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,2,0,0,0,0|1,0,0]=3 2320 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,2,0,0,0,0|1,0,0]=3 2321 B12R0.239 CCOC(=O)CC(=O)NNCCO 22a_100000210001_100000243816 [0,2,0,0,0,0|1,0,0]=3 2322 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,2,0,0,0,0|1,0,1]=4 2323 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 7a_100009816390_100000184422 [0,2,0,0,0,0|1,0,1]=4 2324 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,2,0,0,0,0|1,0,1]=4 2325 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,2,0,0,0,0|1,0,1]=4 2326 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,2,0,0,0,0|1,0,1]=4 2327 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,2,0,0,0,0|1,0,1]=4 2328 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,2,0,0,0,0|0,0,2]=4 2329 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,2,0,0,0,0|0,0,2]=4 2330 B12R0.239 CCOC(=O)NC(=O)CSCCF 62a_100011217306_100000010344 [0,2,0,0,0,0|1,1,0]=4 2331 B12R0.239 CCOC(=O)NC(=O)CSCCO 62a_100000211926_100000010344 [0,2,0,0,0,0|1,1,0]=4 2332 B12R0.239 CCOC(=O)NC(=O)CSCOC 62a_100000766300_100000010344 [0,2,0,0,0,0|1,1,0]=4 2333 B12R0.239 CCOC(=O)NC(=O)CSCSC 62a_100011218213_100000010344 [0,2,0,0,0,0|1,1,0]=4 2334 B12R0.239 CCOC=CC(=O)CC(=O)NCO 1458a_100016266692_100000185155 [0,2,0,0,0,0|2,0,0]=4 2335 B12R0.239 CCOC=CC(=O)CC(=O)OCC 1458a_100016266692_100000188475 [0,2,0,0,0,0|0,0,0]=2 2336 B12R0.239 CCOCCC(=O)CC(=O)NCO 1458a_100000749530_100000185155 [0,2,0,0,0,0|2,0,0]=4 2337 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,2,0,0,0,0|0,0,0]=2 2338 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,2,0,0,0,0|0,0,0]=2 2339 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,2,0,0,0,0|2,0,0]=4 2340 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,2,0,0,0,0|1,0,1]=4 2341 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,2,0,0,0,0|1,0,1]=4 2342 B12R0.239 COCCOC(=O)CC(=O)CCO 1458a_100011216618_200000040189 [0,2,0,0,0,0|2,0,0]=4 2343 B12R0.239 COCCOC(=O)CC(=O)COC 1458a_100000210968_200000040189 [0,2,0,0,0,0|2,0,0]=4 2344 B12R0.239 COCCOC(=O)CC(=O)CSC 1458a_100000184570_200000040189 [0,2,0,0,0,0|2,0,0]=4 2345 B12R0.239 O=C(COCCO)CC(=O)NCO 1458a_100000708028_100000185155 [0,2,0,0,0,0|2,0,0]=4 2346 B12R0.283 C=C(C)CCC(=O)CC(=O)CCC 1458a_200000688413_100000747444 [0,2,0,0,0,0|2,0,0]=4 2347 B12R0.283 C=C(C)CCC(=O)CC(=O)NCC 1458a_200000688413_100000183381 [0,2,0,0,0,0|2,0,0]=4 2348 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_100000243816_100000730704 [0,2,0,0,0,0|1,0,0]=3 2349 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_200000688413_100000188475 [0,2,0,0,0,0|1,0,0]=3 2350 B12R0.283 C=C(C)CNC(=O)CC(=O)OCC 240690a_100000765925_100000243816 [0,2,0,0,0,0|1,0,0]=3 2351 B12R0.283 C=C(C)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000748629 [0,2,0,0,0,0|1,0,1]=4 2352 B12R0.283 C=COC(=O)CC(=O)COC(C)C 1458a_100000745533_100000036128 [0,2,0,0,0,0|0,0,2]=4 2353 B12R0.283 CC(C)OCC(=O)CC(=O)NCO 1458a_100000745533_100000185155 [0,2,0,0,0,0|2,0,0]=4 2354 B12R0.283 CCCC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000747444 [0,2,0,0,0,0|2,0,0]=4 2355 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,2,0,0,0,0|2,0,0]=4 2356 B12R0.283 CCCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747444 [0,2,0,0,0,0|2,0,0]=4 2357 B12R0.283 CCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747444 [0,2,0,0,0,0|1,0,1]=4 2358 B12R0.283 CCCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747444 [0,2,0,0,0,0|1,0,0]=3 2359 B12R0.283 CCCC(=O)CC(=O)COC(F)F 1458a_200000719455_100000747444 [0,2,0,0,0,0|2,0,0]=4 2360 B12R0.283 CCCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747444 [0,2,0,0,0,0|1,1,0]=4 2361 B12R0.283 CCCC(=O)CC(=O)NCC(C)C 1458a_100000211992_100000183291 [0,2,0,0,0,0|2,0,0]=4 2362 B12R0.283 CCNC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000183381 [0,2,0,0,0,0|2,0,0]=4 2363 B12R0.283 CCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183381 [0,2,0,0,0,0|2,0,0]=4 2364 B12R0.283 CCNC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000183381 [0,2,0,0,0,0|2,0,0]=4 2365 B12R0.283 CCNC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000183381 [0,2,0,0,0,0|1,0,1]=4 2366 B12R0.283 CCNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183381 [0,2,0,0,0,0|1,0,0]=3 2367 B12R0.283 CCNC(=O)CC(=O)COC(F)F 1458a_200000719455_100000183381 [0,2,0,0,0,0|2,0,0]=4 2368 B12R0.283 CCNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000183381 [0,2,0,0,0,0|1,1,0]=4 2369 B12R0.283 CCOC(=O)C=C(C)COC(C)C 34a_100000212225_100135422193 [0,2,0,0,0,0|1,0,1]=4 2370 B12R0.283 CCOC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000188475 [0,2,0,0,0,0|1,0,0]=3 2371 B12R0.283 CCOC(=O)CC(=O)CC=C(C)C 1458a_100000243816_100000761012 [0,2,0,0,0,0|1,0,1]=4 2372 B12R0.283 CCOC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000188475 [0,2,0,0,0,0|1,0,1]=4 2373 B12R0.283 CCOC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000188475 [0,2,0,0,0,0|1,0,1]=4 2374 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [0,2,0,0,0,0|1,0,0]=3 2375 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [0,2,0,0,0,0|1,0,0]=3 2376 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [0,2,0,0,0,0|1,0,0]=3 2377 B12R0.283 CCOC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000188475 [0,2,0,0,0,0|2,0,0]=4 2378 B12R0.283 CCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000188475 [0,2,0,0,0,0|1,0,0]=3 2379 B12R0.283 CCOC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000188475 [0,2,0,0,0,0|1,0,1]=4 2380 B12R0.283 CCOC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000188475 [0,2,0,0,0,0|0,0,1]=3 2381 B12R0.283 CCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000188475 [0,2,0,0,0,0|0,0,0]=2 2382 B12R0.283 CCOC(=O)CC(=O)COC(F)F 1458a_200000719455_100000188475 [0,2,0,0,0,0|1,0,0]=3 2383 B12R0.283 CCOC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000188475 [0,2,0,0,0,0|0,1,1]=4 2384 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000188475 [0,2,0,0,0,0|0,1,0]=3 2385 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210311 [0,2,0,0,0,0|0,1,0]=3 2386 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210311_100000210206 [0,2,0,0,0,0|0,1,0]=3 2387 B12R0.283 CCOC(=O)CC(=O)CSC(F)F 1458a_114828291038_100000188475 [0,2,0,0,0,0|1,1,0]=4 2388 B12R0.283 CCOC(=O)CC(=O)NCC(=O)N 240690a_100000711301_100000243816 [0,2,0,0,0,0|1,0,1]=4 2389 B12R0.283 CCOC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000243816 [0,2,0,0,0,0|1,0,0]=3 2390 B12R0.283 CCOC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000243816 [0,2,0,0,0,0|1,0,0]=3 2391 B12R0.283 CCOC(=O)CC(=O)NCC(F)F 240690a_100000765723_100000243816 [0,2,0,0,0,0|1,0,0]=3 2392 B12R0.283 CCOC(=O)CC(=O)NNC(=O)C 22a_100000189765_100000243816 [0,2,0,0,0,0|1,0,1]=4 2393 B12R0.283 CCOC(=O)CC(=O)NNC(C)C 22a_100000741168_100000243816 [0,2,0,0,0,0|1,0,0]=3 2394 B12R0.283 CCOC(=O)CN(C)COC(C)C 2230a_100000220588_100000709892 [0,2,0,0,0,0|2,0,0]=4 2395 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,2,0,0,0,0|1,0,1]=4 2396 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [0,2,0,0,0,0|1,0,1]=4 2397 B12R0.283 CCOC(=O)C[C@@H](C)OCC(F)F 7a_100009816390_100011934356 [0,2,0,0,0,0|1,0,1]=4 2398 B12R0.283 CCOC(=O)C[C@@H](C)OC[C@@H](C)O 7a_100009816390_100009817552 [0,2,0,0,0,0|1,0,1]=4 2399 B12R0.283 CCOC(=O)C[C@H](O)COC(C)C 34a_100000212225_100000688340 [0,2,0,0,0,0|0,0,2]=4 2400 B12R0.283 CCOC(=O)NC(=O)CSC(C)C 62a_100000210206_100000010344 [0,2,0,0,0,0|1,1,0]=4 2401 B12R0.353 C#CCCC(=O)C(C)C(=O)OCC 1458a_100000692101_100011216346 [0,2,0,0,0,0|1,0,1]=4 2402 B12R0.353 C#CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000753159 [0,2,0,0,0,0|1,0,1]=4 2403 B12R0.353 C#CCCC(=O)C(F)C(=O)OCC 1458a_100000692101_100000760018 [0,2,0,0,0,0|1,0,1]=4 2404 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 11a_100000212058_100132301724 [0,2,0,0,0,0|1,0,1]=4 2405 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 1626a_100000212058_100132301724 [0,2,0,0,0,0|1,0,1]=4 2406 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 240690a_100000212058_100132301724 [0,2,0,0,0,0|1,0,1]=4 2407 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 527a_100000212058_100132301724 [0,2,0,0,0,0|1,0,1]=4 2408 B12R0.353 C/C=C/CC(=O)C(C)C(=O)OCC 1458a_100132301724_100102629194 [0,2,0,0,0,0|1,0,1]=4 2409 B12R0.353 C=CCCC(=O)C(C)C(=O)OCC 1458a_100000749702_100011216346 [0,2,0,0,0,0|1,0,1]=4 2410 B12R0.353 C=CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000754431 [0,2,0,0,0,0|1,0,1]=4 2411 B12R0.353 C=CCCC(=O)C(F)C(=O)OCC 1458a_100000749702_100000760018 [0,2,0,0,0,0|1,0,1]=4 2412 B12R0.353 C=CCNC(=O)C(C)C(=O)OCC 1626a_100020586998_100132301724 [0,2,0,0,0,0|1,0,1]=4 2413 B12R0.353 C=CCNC(=O)C(C)C(=O)OCC 240690a_100020586998_100132301724 [0,2,0,0,0,0|1,0,1]=4 2414 B12R0.353 C=CCNC(=O)C(C)C(=O)OCC 527a_100020586998_100132301724 [0,2,0,0,0,0|1,0,1]=4 2415 B12R0.353 CC#CC(=O)C(C)C(=O)OCCC 1458a_100000763181_100000760410 [0,2,0,0,0,0|1,0,1]=4 2416 B12R0.353 CC#CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000748600 [0,2,0,0,0,0|1,0,1]=4 2417 B12R0.353 CC=CC(=O)C(C)C(=O)OCCC 1458a_100000210699_100000760410 [0,2,0,0,0,0|1,0,1]=4 2418 B12R0.353 CC=CCC(=O)C(C)C(=O)OCC 1458a_100121576822_100011216346 [0,2,0,0,0,0|1,0,1]=4 2419 B12R0.353 CC=CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000070051 [0,2,0,0,0,0|1,0,1]=4 2420 B12R0.353 CC=CCC(=O)C(F)C(=O)OCC 1458a_100121576822_100000760018 [0,2,0,0,0,0|1,0,1]=4 2421 B12R0.353 CCC#CC(=O)C(C)C(=O)NCC 1458a_100011827653_100000230173 [0,2,0,0,0,0|2,0,0]=4 2422 B12R0.353 CCC#CC(=O)C(C)C(=O)OCC 1458a_100011827653_100011216346 [0,2,0,0,0,0|1,0,0]=3 2423 B12R0.353 CCC#CC(=O)C(F)C(=O)OCC 1458a_100011827653_100000760018 [0,2,0,0,0,0|1,0,0]=3 2424 B12R0.353 CCC=CC(=O)C(C)C(=O)NCC 1458a_100000212282_100000230173 [0,2,0,0,0,0|2,0,0]=4 2425 B12R0.353 CCC=CC(=O)C(C)C(=O)OCC 1458a_100000212282_100011216346 [0,2,0,0,0,0|1,0,0]=3 2426 B12R0.353 CCC=CC(=O)C(F)C(=O)OCC 1458a_100000212282_100000760018 [0,2,0,0,0,0|1,0,0]=3 2427 B12R0.353 CCCCC(=O)C(C)C(=O)NCC 1458a_100000210183_100000230173 [0,2,0,0,0,0|2,0,0]=4 2428 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100000210183_100011216346 [0,2,0,0,0,0|1,0,0]=3 2429 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210211 [0,2,0,0,0,0|1,0,0]=3 2430 B12R0.353 CCCCC(=O)C(F)C(=O)OCC 1458a_100000210183_100000760018 [0,2,0,0,0,0|1,0,0]=3 2431 B12R0.353 CCCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000230305 [0,2,0,0,0,0|2,0,0]=4 2432 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 11a_100020643023_100132301724 [0,2,0,0,0,0|1,0,0]=3 2433 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 1626a_100020643023_100132301724 [0,2,0,0,0,0|1,0,0]=3 2434 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 240690a_100020643023_100132301724 [0,2,0,0,0,0|1,0,0]=3 2435 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 527a_100020643023_100132301724 [0,2,0,0,0,0|1,0,0]=3 2436 B12R0.353 CCCOC(=O)C(C)C(=O)CCC 1458a_100000211992_100000760410 [0,2,0,0,0,0|1,0,0]=3 2437 B12R0.353 CCCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100000760410 [0,2,0,0,0,0|2,0,0]=4 2438 B12R0.353 CCCOC(=O)C(C)C(=O)COC 1458a_100000210968_100000760410 [0,2,0,0,0,0|2,0,0]=4 2439 B12R0.353 CCCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100000760410 [0,2,0,0,0,0|2,0,0]=4 2440 B12R0.353 CCNC(=O)C(C)C(=O)CCOC 1458a_100000749529_100000230173 [0,2,0,0,0,0|2,0,0]=4 2441 B12R0.353 CCNC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000230173 [0,2,0,0,0,0|2,0,0]=4 2442 B12R0.353 CCNC(=O)C(C)C(=O)COCC 1458a_100000211967_100000230173 [0,2,0,0,0,0|1,0,0]=3 2443 B12R0.353 CCNC(=O)C(C)C(=O)CSCC 1458a_100000230394_100000230173 [0,2,0,0,0,0|1,1,0]=4 2444 B12R0.353 CCNN=C(C)C(C)C(=O)OCC 4a_100000756455_100011215780 [0,2,0,0,0,0|2,0,0]=4 2445 B12R0.353 CCNN=C(C)C(F)C(=O)OCC 4a_100000756455_100011197482 [0,2,0,0,0,0|2,0,0]=4 2446 B12R0.353 CCNNC(=O)C(C)C(=O)OCC 22a_100000756455_100132301724 [0,2,0,0,0,0|1,0,0]=3 2447 B12R0.353 CCOC(=O)C(C)C(=O)C#CCO 1458a_100000049017_100011216346 [0,2,0,0,0,0|1,0,1]=4 2448 B12R0.353 CCOC(=O)C(C)C(=O)C=COC 1458a_100016268678_100011216346 [0,2,0,0,0,0|1,0,1]=4 2449 B12R0.353 CCOC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100011216346 [0,2,0,0,0,0|1,0,1]=4 2450 B12R0.353 CCOC(=O)C(C)C(=O)CCC#N 1458a_100132301724_100011215226 [0,2,0,0,0,0|1,0,1]=4 2451 B12R0.353 CCOC(=O)C(C)C(=O)CCCF 1458a_100132301724_100011934791 [0,2,0,0,0,0|1,0,0]=3 2452 B12R0.353 CCOC(=O)C(C)C(=O)CCCO 1458a_100132301724_100011215043 [0,2,0,0,0,0|1,0,0]=3 2453 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100000749529_100011216346 [0,2,0,0,0,0|1,0,0]=3 2454 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100132301724_100000233755 [0,2,0,0,0,0|1,0,0]=3 2455 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100000174002_100011216346 [0,2,0,0,0,0|1,0,0]=3 2456 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100132301724_100000751147 [0,2,0,0,0,0|1,0,0]=3 2457 B12R0.353 CCOC(=O)C(C)C(=O)CSCC 1458a_100000230394_100011216346 [0,2,0,0,0,0|0,1,0]=3 2458 B12R0.353 CCOC(=O)C(C)C(=O)NCC#N 1626a_100000734998_100132301724 [0,2,0,0,0,0|1,0,1]=4 2459 B12R0.353 CCOC(=O)C(C)C(=O)NCC#N 527a_100000734998_100132301724 [0,2,0,0,0,0|1,0,1]=4 2460 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 11a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 2461 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 1626a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 2462 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 240690a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 2463 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 527a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 2464 B12R0.353 CCOC(=O)C(C)C(=O)NCCO 240690a_100000210304_100132301724 [0,2,0,0,0,0|1,0,0]=3 2465 B12R0.353 CCOC(=O)C(C)C(=O)NCCO 527a_100000210304_100132301724 [0,2,0,0,0,0|1,0,0]=3 2466 B12R0.353 CCOC(=O)C(F)C(=O)C#CCO 1458a_100000049017_100000760018 [0,2,0,0,0,0|1,0,1]=4 2467 B12R0.353 CCOC(=O)C(F)C(=O)C=COC 1458a_100016268678_100000760018 [0,2,0,0,0,0|1,0,1]=4 2468 B12R0.353 CCOC(=O)C(F)C(=O)CCC#N 1458a_100011934036_100000760018 [0,2,0,0,0,0|1,0,1]=4 2469 B12R0.353 CCOC(=O)C(F)C(=O)CCOC 1458a_100000749529_100000760018 [0,2,0,0,0,0|1,0,0]=3 2470 B12R0.353 CCOC(=O)C(F)C(=O)CCSC 1458a_100000174002_100000760018 [0,2,0,0,0,0|1,0,0]=3 2471 B12R0.353 CCOC(=O)C(F)C(=O)CSCC 1458a_100000230394_100000760018 [0,2,0,0,0,0|0,1,0]=3 2472 B12R0.353 CCOCC(=O)C(C)C(=O)OCC 1458a_100000211967_100011216346 [0,2,0,0,0,0|0,0,0]=2 2473 B12R0.353 CCOCC(=O)C(F)C(=O)OCC 1458a_100000211967_100000760018 [0,2,0,0,0,0|0,0,0]=2 2474 B12R0.453 CCOCC(=O)C[Si](C)(C)OCC 1458a_100000211967_200000065227 [0,2,0,0,0,0|1,1,0]=4 2475 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [0,2,0,0,0,0|1,0,1]=4 2476 B12R0.607 CCNN=C(CC)CC(=O)OCC 4a_100000756455_100000758052 [0,2,0,0,0,0|2,0,0]=4 2477 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCF 7a_100000688340_100011217306 [0,2,0,0,0,0|1,0,1]=4 2478 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCO 7a_100000688340_100000211926 [0,2,0,0,0,0|1,0,1]=4 2479 B12R0.607 CCOCN(CC)CC(=O)OCC 269982a_100000220607_100000739092 [0,2,0,0,0,0|2,0,0]=4 2480 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 270084a_100020643023_100000738689 [0,2,0,0,0,0|2,0,0]=4 2481 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 274078a_100020643023_100000738689 [0,2,0,0,0,0|2,0,0]=4 2482 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [0,2,0,0,0,0|1,0,1]=4 2483 B12R0.661 CCOC(=O)CC(C)(C)OCCF 7a_100000765344_100011217306 [0,2,0,0,0,0|1,0,1]=4 2484 B12R0.661 CCOC(=O)CC(C)(C)OCCO 7a_100000765344_100000211926 [0,2,0,0,0,0|1,0,1]=4 2485 B12R0.661 CCOC(=O)CS(=O)(=O)NCCF 270084a_100000724931_100000738689 [0,2,0,0,0,0|2,0,0]=4 2486 B12R0.661 CCOC(=O)CS(=O)(=O)NCCF 274078a_100000724931_100000738689 [0,2,0,0,0,0|2,0,0]=4 2487 B12R0.661 CCOC(=O)CS(=O)(=O)NCCO 270084a_100000210304_100000738689 [0,2,0,0,0,0|2,0,0]=4 2488 B12R0.661 CCOC(=O)CS(=O)(=O)NCCO 274078a_100000210304_100000738689 [0,2,0,0,0,0|2,0,0]=4 2489 B12R0.8 CC#CC(=O)C(CC)C(=O)OCC 1458a_100000763181_100000212269 [0,2,0,0,0,0|1,0,1]=4 2490 B12R0.8 CC#CC(=O)C(SC)C(=O)OCC 1458a_100000763181_100009893047 [0,2,0,0,0,0|1,0,1]=4 2491 B12R0.8 CC=CC(=O)C(CC)C(=O)OCC 1458a_100000210699_100000212269 [0,2,0,0,0,0|1,0,1]=4 2492 B12R0.8 CC=CC(=O)C(SC)C(=O)OCC 1458a_100000210699_100009893047 [0,2,0,0,0,0|1,0,1]=4 2493 B12R0.8 CCCC(=O)C(CC)C(=O)OCC 1458a_100000211992_100000212269 [0,2,0,0,0,0|1,0,0]=3 2494 B12R0.8 CCCC(=O)C(SC)C(=O)OCC 1458a_100000211992_100009893047 [0,2,0,0,0,0|1,0,0]=3 2495 B12R0.8 CCOC(=O)C(CC)C(=O)CCO 1458a_100011216618_100000212269 [0,2,0,0,0,0|2,0,0]=4 2496 B12R0.8 CCOC(=O)C(CC)C(=O)COC 1458a_100000210968_100000212269 [0,2,0,0,0,0|2,0,0]=4 2497 B12R0.8 CCOC(=O)C(CC)C(=O)CSC 1458a_100000184570_100000212269 [0,2,0,0,0,0|2,0,0]=4 2498 B12R0.8 CCOC(=O)C(NC)C(=O)OCC 34a_100102657272_100000243710 [0,2,0,0,0,0|0,0,0]=2 2499 B12R0.8 CCOC(=O)C(OC)C(=O)OCC 34a_100138415774_100000243710 [0,2,0,0,0,0|0,0,0]=2 2500 B12R0.8 CCOC(=O)C(SC)C(=O)CCO 1458a_100011216618_100009893047 [0,2,0,0,0,0|2,0,0]=4 2501 B12R0.8 CCOC(=O)C(SC)C(=O)COC 1458a_100000210968_100009893047 [0,2,0,0,0,0|2,0,0]=4 2502 B12R0.8 CCOC(=O)C(SC)C(=O)CSC 1458a_100000184570_100009893047 [0,2,0,0,0,0|2,0,0]=4 2503 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_100000243710_200000210301 [0,2,0,0,0,0|0,0,0]=2 2504 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_200000210301_100000243710 [0,2,0,0,0,0|0,0,0]=2 2505 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_100000243710_200025704644 [0,2,0,0,0,0|0,0,0]=2 2506 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_200025704644_100000243710 [0,2,0,0,0,0|0,0,0]=2 2507 B12R0.196 C/C=C(\C)/C(=O)C(C)C(=O)OCC 1458a_100020587367_100011216346 [0,2,0,0,0,0|1,0,1]=4 2508 B12R0.196 C/C=C(\C)/C(=O)C(F)C(=O)OCC 1458a_100020587367_100000760018 [0,2,0,0,0,0|1,0,1]=4 2509 B12R0.196 CCCC(=O)C(C)C(=O)N(C)CC 1458a_100000211992_200012002205 [0,2,0,0,0,0|2,0,0]=4 2510 B12R0.196 CCNC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100000230173 [0,2,0,0,0,0|2,0,0]=4 2511 B12R0.196 CCNC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100000230173 [0,2,0,0,0,0|2,0,0]=4 2512 B12R0.196 CCOC(=O)C(C)C(=O)C(=O)NC 1458a_100011218921_100011216346 [0,2,0,0,0,0|2,0,0]=4 2513 B12R0.196 CCOC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100011216346 [0,2,0,0,0,0|1,0,0]=3 2514 B12R0.196 CCOC(=O)C(C)C(=O)C(C)CC 1458a_100132301724_100000758301 [0,2,0,0,0,0|1,0,0]=3 2515 B12R0.196 CCOC(=O)C(C)C(=O)C(C)OC 1458a_100000743197_100011216346 [0,2,0,0,0,0|2,0,0]=4 2516 B12R0.196 CCOC(=O)C(C)C(=O)C(C)SC 1458a_100000149566_100011216346 [0,2,0,0,0,0|2,0,0]=4 2517 B12R0.196 CCOC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100011216346 [0,2,0,0,0,0|1,0,0]=3 2518 B12R0.196 CCOC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100011216346 [0,2,0,0,0,0|2,0,0]=4 2519 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 11a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 2520 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 1626a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 2521 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 240690a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 2522 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 527a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 2523 B12R0.196 CCOC(=O)C(F)C(=O)C(=O)NC 1458a_100011218921_100000760018 [0,2,0,0,0,0|2,0,0]=4 2524 B12R0.196 CCOC(=O)C(F)C(=O)C(C)CC 1458a_100011192722_100000760018 [0,2,0,0,0,0|1,0,0]=3 2525 B12R0.196 CCOC(=O)C(F)C(=O)C(C)OC 1458a_100000743197_100000760018 [0,2,0,0,0,0|2,0,0]=4 2526 B12R0.196 CCOC(=O)C(F)C(=O)C(C)SC 1458a_100000149566_100000760018 [0,2,0,0,0,0|2,0,0]=4 2527 B12R0.196 CCOC(=O)C(F)C(=O)C(O)CC 1458a_100011196387_100000760018 [0,2,0,0,0,0|1,0,0]=3 2528 B12R0.196 CCOC(=O)C(F)C(=O)C(O)CO 1458a_100011215603_100000760018 [0,2,0,0,0,0|2,0,0]=4 2529 B12R0.731 CCCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000210303 [0,2,0,0,0,0|1,0,0]=3 2530 B12R0.731 CCCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000210303 [0,2,0,0,0,0|1,0,0]=3 2531 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 11a_100015525214_100000694683 [0,2,0,0,0,0|1,0,0]=3 2532 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 240690a_100015525214_100000694683 [0,2,0,0,0,0|1,0,0]=3 2533 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 527a_100015525214_100000694683 [0,2,0,0,0,0|1,0,0]=3 2534 B12R0.731 CCNC(=O)C(C)(O)C(=O)OCC 240690a_100015525214_200009913003 [0,2,0,0,0,0|1,0,0]=3 2535 B12R0.731 CCOC(=O)C(C)(C)C(=O)CCF 1458a_100000694683_100011217306 [0,2,0,0,0,0|2,0,0]=4 2536 B12R0.731 CCOC(=O)C(C)(C)C(=O)CCO 1458a_100000694683_100000211926 [0,2,0,0,0,0|2,0,0]=4 2537 B12R0.731 CCOC(=O)C(C)(C)C(=O)NNC 22a_100016993582_100000694683 [0,2,0,0,0,0|2,0,0]=4 2538 B12R0.731 CCOC(=O)C(C)(C)C(C)OCC 7a_100011668300_100000210202 [0,2,0,0,0,0|1,0,1]=4 2539 B12R0.731 CCOC(=O)C(C)(O)C(=O)CCF 1458a_200009913003_100011217306 [0,2,0,0,0,0|2,0,0]=4 2540 B12R0.731 CCOC(=O)C(C)(O)C(=O)CCO 1458a_200009913003_100000211926 [0,2,0,0,0,0|2,0,0]=4 2541 B12R0.731 CCOC(=O)C(C)(O)C(=O)NNC 22a_100016993582_200009913003 [0,2,0,0,0,0|2,0,0]=4 2542 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 11a_100000221057_100015343762 [0,2,0,0,0,0|2,0,0]=4 2543 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 1626a_100000221057_100015343762 [0,2,0,0,0,0|2,0,0]=4 2544 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 240690a_100000221057_100015343762 [0,2,0,0,0,0|2,0,0]=4 2545 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 527a_100000221057_100103153847 [0,2,0,0,0,0|2,0,0]=4 2546 B12R0.22 CCCC(CC(=O)OCC)OCC 7a_100011216533_100000210202 [0,2,0,0,0,0|1,0,1]=4 2547 B12R0.22 CCCN(CC=O)CC(=O)OCC 2230a_100000221057_200015260668 [0,2,0,0,0,0|2,0,0]=4 2548 B12R0.22 CCCN(CC=O)CC(=O)OCC 269982a_100000221057_200015260668 [0,2,0,0,0,0|2,0,0]=4 2549 B12R0.22 CCOC(=O)/C=C(/CNC)\OCC 2230a_106832991635_200020608044 [0,2,0,0,0,0|1,0,1]=4 2550 B12R0.22 CCOC(=O)/C=C(/CNC)\OCC 34a_100102657272_200020608044 [0,2,0,0,0,0|1,0,1]=4 2551 B12R0.22 CCOC(=O)/C=C(/COC)\OCC 34a_100138415774_200020608044 [0,2,0,0,0,0|0,0,2]=4 2552 B12R0.22 CCOC(=O)/C=C(/CSC)\OCC 62a_200000210301_200020608044 [0,2,0,0,0,0|0,1,1]=4 2553 B12R0.22 CCOC(=O)/C=C(/CS[13CH3])\OCC 62a_200025704644_200020608044 [0,2,0,0,0,0|0,1,1]=4 2554 B12R0.22 CCOC(=O)/C=C(\CNC)/OCC 2230a_106832991635_100015292811 [0,2,0,0,0,0|1,0,1]=4 2555 B12R0.22 CCOC(=O)/C=C(\CNC)/OCC 34a_100102657272_100015292811 [0,2,0,0,0,0|1,0,1]=4 2556 B12R0.22 CCOC(=O)/C=C(\COC)/OCC 34a_100138415774_100015292811 [0,2,0,0,0,0|0,0,2]=4 2557 B12R0.22 CCOC(=O)/C=C(\CSC)/OCC 62a_200000210301_100015292811 [0,2,0,0,0,0|0,1,1]=4 2558 B12R0.22 CCOC(=O)/C=C(\CS[13CH3])/OCC 62a_200025704644_100015292811 [0,2,0,0,0,0|0,1,1]=4 2559 B12R0.71 CCCC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000747444 [0,2,0,0,0,0|2,0,0]=4 2560 B12R0.71 CCCC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000747444 [0,2,0,0,0,0|2,0,0]=4 2561 B12R0.71 CCCC(=O)CC(=O)N(CC)CC 1458a_100000211992_100000211521 [0,2,0,0,0,0|2,0,0]=4 2562 B12R0.71 CCNC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000183381 [0,2,0,0,0,0|2,0,0]=4 2563 B12R0.71 CCNC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000183381 [0,2,0,0,0,0|2,0,0]=4 2564 B12R0.71 CCOC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000188475 [0,2,0,0,0,0|1,0,0]=3 2565 B12R0.71 CCOC(=O)CC(=O)C(CC)CC 1458a_100000243816_100000210505 [0,2,0,0,0,0|1,0,0]=3 2566 B12R0.71 CCOC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000188475 [0,2,0,0,0,0|1,0,0]=3 2567 B12R0.71 CCOC(=O)CC(=O)C(OC)OC 1458a_100000046285_100000188475 [0,2,0,0,0,0|2,0,0]=4 2568 B12R0.71 CCOC(=O)CC(=O)N(CC)CC 240690a_100000724800_100000243816 [0,2,0,0,0,0|1,0,0]=3 2569 B12R0.313 CCCC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000747444 [0,2,0,0,0,0|2,0,0]=4 2570 B12R0.313 CCCC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000747444 [0,2,0,0,0,0|2,0,0]=4 2571 B12R0.313 CCCC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000747444 [0,2,0,0,0,0|2,0,0]=4 2572 B12R0.313 CCNC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000183381 [0,2,0,0,0,0|2,0,0]=4 2573 B12R0.313 CCNC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000183381 [0,2,0,0,0,0|2,0,0]=4 2574 B12R0.313 CCNC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000183381 [0,2,0,0,0,0|2,0,0]=4 2575 B12R0.313 CCOC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000188475 [0,2,0,0,0,0|1,0,0]=3 2576 B12R0.313 CCOC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000188475 [0,2,0,0,0,0|2,0,0]=4 2577 B12R0.313 CCOC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000188475 [0,2,0,0,0,0|2,0,0]=4 2578 B12R0.313 CCOC(=O)CC(=O)C(C)(C)OC 1458a_100000753492_100000188475 [0,2,0,0,0,0|2,0,0]=4 2579 B12R0.313 CCOC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000188475 [0,2,0,0,0,0|1,0,0]=3 2580 B12R0.313 CCOC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000188475 [0,2,0,0,0,0|1,0,0]=3 2581 B12R0.570 CCC(C)C(=O)CC(=O)N(C)CC 1458a_100011192722_100011894763 [0,2,0,0,0,0|2,0,0]=4 2582 B12R0.570 CCC(O)C(=O)CC(=O)N(C)CC 1458a_100011196387_100011894763 [0,2,0,0,0,0|2,0,0]=4 2583 B12R0.746 CCOC(=O)CS(=O)(=O)N(C)CC 270084a_100000225621_100000738689 [0,2,0,0,0,0|2,0,0]=4 2584 B12R0.746 CCOC(=O)CS(=O)(=O)N(C)CC 274078a_100000225621_100000738689 [0,2,0,0,0,0|2,0,0]=4 2585 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|2,0,0]=4 2586 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,1]=4 2587 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|1,0,1]=4 2588 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [1,0,0,1,0,0|1,0,1]=4 2589 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|1,0,1]=4 2590 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|1,0,1]=4 2591 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [1,0,0,1,0,0|1,0,1]=4 2592 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [1,0,0,1,0,0|1,0,1]=4 2593 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [1,0,0,1,0,0|1,0,1]=4 2594 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [1,0,0,1,0,0|1,0,1]=4 2595 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|2,0,0]=4 2596 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|2,0,0]=4 2597 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|2,0,0]=4 2598 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|1,0,1]=4 2599 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|1,0,1]=4 2600 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,1,0,0|2,0,0]=4 2601 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [1,0,0,1,0,0|2,0,0]=4 2602 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [1,0,0,1,0,0|2,0,0]=4 2603 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [1,0,0,1,0,0|2,0,0]=4 2604 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|1,0,1]=4 2605 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [1,0,0,1,0,0|2,0,0]=4 2606 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|1,0,1]=4 2607 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [1,0,0,1,0,0|0,0,2]=4 2608 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [1,0,0,1,0,0|1,0,0]=3 2609 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [1,0,0,1,0,0|1,0,0]=3 2610 B10R1.134 CCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747405 [1,0,0,1,0,0|2,0,0]=4 2611 B10R1.134 CNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183359 [1,0,0,1,0,0|2,0,0]=4 2612 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [1,0,0,1,0,0|1,0,0]=3 2613 B10R1.134 COC(=O)CC(=O)C1CO1 1458a_100000701028_100000747449 [1,0,0,1,0,0|2,0,0]=4 2614 B10R1.134 O=C(CO)CC(=O)C1CC1 1458a_100000210174_100000746382 [1,0,0,1,0,0|2,0,0]=4 2615 B10R1.149 C#CC(=O)C1CCOC1=O 1458a_100000211873_100000211211 [1,0,0,1,0,0|0,0,2]=4 2616 B10R1.149 C=CC(=O)C1CCOC1=O 1458a_100000185746_100000211211 [1,0,0,1,0,0|0,0,2]=4 2617 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [1,0,0,1,0,0|1,0,0]=3 2618 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [1,0,0,1,0,0|0,0,0]=2 2619 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [1,0,0,1,0,0|2,0,0]=4 2620 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [1,0,0,1,0,0|2,0,0]=4 2621 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [1,0,0,1,0,0|2,0,0]=4 2622 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [1,0,0,1,0,0|1,0,0]=3 2623 B12R1.17 CC=CC(=O)N1CCOC(=O)C1 11a_100000131268_100000210699 [0,0,0,1,0,1|1,0,1]=4 2624 B12R1.17 CC=CC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210699 [0,0,0,1,0,1|1,0,1]=4 2625 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,0,0,1,0,1|2,0,0]=4 2626 B12R1.17 CCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 2627 B12R1.17 CCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 2628 B12R1.17 CCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 2629 B12R1.17 CCCC(=O)N1CCNC(=O)C1 527a_100000184651_100000211992 [0,0,0,1,0,1|2,0,0]=4 2630 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,0,0,1,0,1|1,0,0]=3 2631 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,0,0,1,0,1|1,0,0]=3 2632 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,0,0,1,0,1|1,0,0]=3 2633 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,0,0,1,0,1|2,0,0]=4 2634 B12R1.17 CCNC(=O)C1CCNC(=O)C1 11a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 2635 B12R1.17 CCNC(=O)C1CCNC(=O)C1 240690a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 2636 B12R1.17 CCNC(=O)C1CCNC(=O)C1 527a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 2637 B12R1.17 CCNC(=O)N1CCNC(=O)C1 2708a_100015525214_100000184651 [0,0,0,1,0,1|2,0,0]=4 2638 B12R1.17 CCNC(=O)N1CCNC(=O)C1 273464a_100015525214_100000184651 [0,0,0,1,0,1|2,0,0]=4 2639 B12R1.17 CCNC(=O)N1CCOC(=O)C1 2708a_100015525214_100000131268 [0,0,0,1,0,1|1,0,0]=3 2640 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 240690a_100015525214_100000705292 [0,0,0,1,0,1|2,0,0]=4 2641 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 527a_100015525214_100000705292 [0,0,0,1,0,1|2,0,0]=4 2642 B12R1.17 COCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210968 [0,0,0,1,0,1|2,0,0]=4 2643 B12R1.17 COCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210968 [0,0,0,1,0,1|2,0,0]=4 2644 B12R1.17 COCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210968 [0,0,0,1,0,1|2,0,0]=4 2645 B12R1.17 CSCC(=O)N1CCOC(=O)C1 11a_100000131268_100000184570 [0,0,0,1,0,1|2,0,0]=4 2646 B12R1.17 CSCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000184570 [0,0,0,1,0,1|2,0,0]=4 2647 B12R1.17 CSCC(=O)N1CCOC(=O)C1 527a_100000131268_100000184570 [0,0,0,1,0,1|2,0,0]=4 2648 B12R1.17 O=C1CN(CCO1)C(=O)CCO 240690a_100000131268_100011216618 [0,0,0,1,0,1|2,0,0]=4 2649 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,0,0,1,0,1|1,0,1]=4 2650 B12R1.178 CCOC(=O)C1CC(C1)OCC 7a_100000093532_100000210202 [0,0,0,1,0,1|1,0,1]=4 2651 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [0,0,0,1,0,1|2,0,0]=4 2652 B12R1.318 CCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210303 [0,0,0,1,0,1|1,0,0]=3 2653 B12R1.318 CCCC(=O)NC1CCNC1=O 11a_100016995588_100000211992 [0,0,0,1,0,1|2,0,0]=4 2654 B12R1.318 CCCC(=O)NC1CCNC1=O 1626a_100016995588_100000211992 [0,0,0,1,0,1|2,0,0]=4 2655 B12R1.318 CCCC(=O)NC1CCNC1=O 240690a_100016995588_100000211992 [0,0,0,1,0,1|2,0,0]=4 2656 B12R1.318 CCCC(=O)NC1CCNC1=O 527a_100016995588_100000211992 [0,0,0,1,0,1|2,0,0]=4 2657 B12R1.318 CCCC(=O)NC1CCSC1=O 11a_100000184058_100000211992 [0,0,0,1,0,1|1,1,0]=4 2658 B12R1.318 CCCC(=O)NC1CCSC1=O 1626a_100000184058_100000211992 [0,0,0,1,0,1|1,1,0]=4 2659 B12R1.318 CCCC(=O)NC1CCSC1=O 240690a_100000184058_100000211992 [0,0,0,1,0,1|1,1,0]=4 2660 B12R1.318 CCCC(=O)NC1CCSC1=O 527a_100000184058_100000211992 [0,0,0,1,0,1|1,1,0]=4 2661 B12R1.318 CCNC(=O)CN1CCCC1=O 11a_100015525214_100000189602 [0,0,0,1,0,1|2,0,0]=4 2662 B12R1.318 CCNC(=O)CN1CCCC1=O 240690a_100015525214_100000189602 [0,0,0,1,0,1|2,0,0]=4 2663 B12R1.318 CCNC(=O)CN1CCCC1=O 527a_100015525214_100000189602 [0,0,0,1,0,1|2,0,0]=4 2664 B12R1.318 CCNC(=O)CN1CCOC1=O 11a_100015525214_100011227918 [0,0,0,1,0,1|1,0,0]=3 2665 B12R1.318 CCNC(=O)CN1CCOC1=O 240690a_100015525214_100011227918 [0,0,0,1,0,1|1,0,0]=3 2666 B12R1.318 CCNC(=O)CN1CCOC1=O 527a_100015525214_100011227918 [0,0,0,1,0,1|1,0,0]=3 2667 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100015525214_100016995588 [0,0,0,1,0,1|2,0,0]=4 2668 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100016995588_100015525214 [0,0,0,1,0,1|2,0,0]=4 2669 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100015525214_100016995588 [0,0,0,1,0,1|2,0,0]=4 2670 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100016995588_100015525214 [0,0,0,1,0,1|2,0,0]=4 2671 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100015525214_100016995588 [0,0,0,1,0,1|2,0,0]=4 2672 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100016995588_100015525214 [0,0,0,1,0,1|2,0,0]=4 2673 B12R1.318 CCNC(=O)NC1CCSC1=O 2708a_100015525214_100000184058 [0,0,0,1,0,1|1,1,0]=4 2674 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100000184058_100015525214 [0,0,0,1,0,1|1,1,0]=4 2675 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100015525214_100000184058 [0,0,0,1,0,1|1,1,0]=4 2676 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100000184058_100015525214 [0,0,0,1,0,1|1,1,0]=4 2677 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100015525214_100000184058 [0,0,0,1,0,1|1,1,0]=4 2678 B12R1.318 CNNC(=O)CN1CCOC1=O 22a_100016993582_100011227918 [0,0,0,1,0,1|2,0,0]=4 2679 B12R1.318 O=C(CCF)CN1CCOC1=O 1458a_100011227918_100011217306 [0,0,0,1,0,1|2,0,0]=4 2680 B12R1.318 O=C(CCO)CN1CCOC1=O 1458a_100011227918_100000211926 [0,0,0,1,0,1|2,0,0]=4 2681 B12R1.686 CCCC(=O)COC(=O)C1CC1 1458a_100000211992_100000140896 [0,0,0,1,0,1|2,0,0]=4 2682 B12R1.686 CCCC(=O)OCC(=O)C1CC1 1458a_100000210395_100000034017 [0,0,0,1,0,1|2,0,0]=4 2683 B12R1.686 CCNC(=O)CNC(=O)C1CC1 11a_100016988866_100000210395 [0,0,0,1,0,1|2,0,0]=4 2684 B12R1.686 CCNC(=O)CNC(=O)C1CC1 1626a_100016988866_100000210395 [0,0,0,1,0,1|2,0,0]=4 2685 B12R1.686 CCNC(=O)CNC(=O)C1CC1 240690a_100016988866_100000210395 [0,0,0,1,0,1|2,0,0]=4 2686 B12R1.686 CCNC(=O)CNC(=O)C1CC1 527a_100016988866_100000210395 [0,0,0,1,0,1|2,0,0]=4 2687 B12R1.686 CCOC(=O)CNC(=O)C1CC1 188690a_100000741813_100000210395 [0,0,0,1,0,1|1,0,0]=3 2688 B12R1.686 CCOC(=O)CNC(=O)C1CO1 188690a_100000741813_100000701028 [0,0,0,1,0,1|2,0,0]=4 2689 B12R1.144 CC(=CC(=O)C1CCOC1=O)C 1458a_100000211388_100000211211 [0,1,0,1,0,0|1,0,1]=4 2690 B12R1.144 CC(=CC(=O)C1CCOC1=O)Cl 1458a_200042562850_100000211211 [0,1,0,1,0,0|1,0,1]=4 2691 B12R1.144 CC(=CC(=O)C1CCOC1=O)I 1458a_100025716642_100000211211 [0,1,0,1,0,0|1,0,1]=4 2692 B12R1.144 CC(C)CC(=O)C1CCCC1=O 1458a_100000210554_100000211823 [0,1,0,1,0,0|2,0,0]=4 2693 B12R1.144 CC(C)CC(=O)C1CCOC1=O 1458a_100000210554_100000211211 [0,1,0,1,0,0|1,0,0]=3 2694 B12R1.144 CN(C)CC(=O)C1CCOC1=O 1458a_100000750896_100000211211 [0,1,0,1,0,0|2,0,0]=4 2695 B12R1.144 C[C@@H](O)CC(=O)C1CCCC1=O 1458a_100011933948_100000211823 [0,1,0,1,0,0|2,0,0]=4 2696 B12R1.144 C[C@@H](O)CC(=O)C1CCOC1=O 1458a_100011933948_100000211211 [0,1,0,1,0,0|1,0,0]=3 2697 B12R1.144 C[S+](C)CC(=O)C1CCOC1=O 1458a_200159257847_100000211211 [0,1,0,1,0,0|2,0,0]=4 2698 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [0,1,0,1,0,0|2,0,0]=4 2699 B12R1.521 CCCC(=O)CC(=O)NC1CC1 1458a_100000211992_100000182950 [0,1,0,1,0,0|2,0,0]=4 2700 B12R1.521 CCNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000183381 [0,1,0,1,0,0|2,0,0]=4 2701 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000243816_100000742324 [0,1,0,1,0,0|1,0,0]=3 2702 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000188475 [0,1,0,1,0,0|1,0,0]=3 2703 B12R1.521 CCOC(=O)CC(=O)CC1CO1 1458a_100000243816_100011216344 [0,1,0,1,0,0|1,0,0]=3 2704 B12R1.521 CCOC(=O)CC(=O)CC1CS1 1458a_100000243816_100000031435 [0,1,0,1,0,0|1,0,0]=3 2705 B12R1.521 CCOC(=O)CC(=O)C[C@@H]1CO1 1458a_100000243816_100000745022 [0,1,0,1,0,0|1,0,0]=3 2706 B12R1.521 CCOC(=O)CC(=O)NC1CC1 240690a_100000212008_100000243816 [0,1,0,1,0,0|1,0,0]=3 2707 B12R1.1811 CC(C)CC(=O)CC(=O)C1CC1 1458a_100000210554_100000746382 [0,1,0,1,0,0|2,0,0]=4 2708 B12R1.1811 CC(C)NC(=O)CC(=O)C1CC1 1458a_100000210395_100000183996 [0,1,0,1,0,0|2,0,0]=4 2709 B12R1.1811 CC(C)OC(=O)CC(=O)C1CC1 1458a_100000210395_100011215430 [0,1,0,1,0,0|1,0,0]=3 2710 B12R1.1811 CC(C)OC(=O)CC(=O)C1CO1 1458a_100000701028_100011215430 [0,1,0,1,0,0|2,0,0]=4 2711 B12R1.1811 C[C@@H](O)CC(=O)CC(=O)C1CC1 1458a_100011933948_100000746382 [0,1,0,1,0,0|2,0,0]=4 2712 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [0,1,0,1,0,0|2,0,0]=4 2713 B12R1.3418 CCCC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000747444 [0,1,0,1,0,0|2,0,0]=4 2714 B12R1.3418 CCNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000183381 [0,1,0,1,0,0|2,0,0]=4 2715 B12R1.3418 CCNC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000183381 [0,1,0,1,0,0|2,0,0]=4 2716 B12R1.3418 CCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000188475 [0,1,0,1,0,0|1,0,0]=3 2717 B12R1.3418 CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000188475 [0,1,0,1,0,0|1,0,0]=3 2718 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 2719 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 2720 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 2721 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [0,1,0,1,0,0|1,0,1]=4 2722 B12R1.53 CCOCC(=O)CC1OCCO1 1458a_100000211967_100000755774 [0,1,0,1,0,0|0,0,2]=4 2723 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|2,0,0]=4 2724 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210303 [0,1,0,1,0,0|2,0,0]=4 2725 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000211992_100000687798 [0,1,0,1,0,0|2,0,0]=4 2726 B12R1.308 CCCC(=O)C1COCCC1=O 1458a_100000211992_100012180262 [0,1,0,1,0,0|2,0,0]=4 2727 B12R1.308 CCNC(=O)C1CCCNC1=O 11a_100015525214_100000087122 [0,1,0,1,0,0|2,0,0]=4 2728 B12R1.308 CCNC(=O)C1CCCNC1=O 240690a_100015525214_100000087122 [0,1,0,1,0,0|2,0,0]=4 2729 B12R1.308 CCNC(=O)C1CCCNC1=O 527a_100015525214_100000087122 [0,1,0,1,0,0|2,0,0]=4 2730 B12R1.460 C#CCCC(=O)C1CCOC1=O 1458a_100000692101_100000211211 [0,1,0,1,0,0|1,0,1]=4 2731 B12R1.460 C=CCCC(=O)C1CCOC1=O 1458a_100000749702_100000211211 [0,1,0,1,0,0|1,0,1]=4 2732 B12R1.460 CC=CCC(=O)C1CCOC1=O 1458a_100121576822_100000211211 [0,1,0,1,0,0|1,0,1]=4 2733 B12R1.460 CCC#CC(=O)C1CCCC1=O 1458a_100011827653_100000211823 [0,1,0,1,0,0|2,0,0]=4 2734 B12R1.460 CCC#CC(=O)C1CCOC1=O 1458a_100011827653_100000211211 [0,1,0,1,0,0|1,0,0]=3 2735 B12R1.460 CCC=CC(=O)C1CCCC1=O 1458a_100000212282_100000211823 [0,1,0,1,0,0|2,0,0]=4 2736 B12R1.460 CCC=CC(=O)C1CCOC1=O 1458a_100000212282_100000211211 [0,1,0,1,0,0|1,0,0]=3 2737 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [0,1,0,1,0,0|2,0,0]=4 2738 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [0,1,0,1,0,0|1,0,0]=3 2739 B12R1.460 CCNN=C(C)C1CCOC1=O 4a_100000756455_100000211971 [0,1,0,1,0,0|2,0,0]=4 2740 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [0,1,0,1,0,0|1,0,0]=3 2741 B12R1.460 CCOCC(=O)C1CCOC1=O 1458a_100000211967_100000211211 [0,1,0,1,0,0|0,0,0]=2 2742 B12R1.460 CCSCC(=O)C1CCCC1=O 1458a_100000230394_100000211823 [0,1,0,1,0,0|1,1,0]=4 2743 B12R1.460 CCSCC(=O)C1CCOC1=O 1458a_100000230394_100000211211 [0,1,0,1,0,0|0,1,0]=3 2744 B12R1.460 COC=CC(=O)C1CCOC1=O 1458a_100016268678_100000211211 [0,1,0,1,0,0|1,0,1]=4 2745 B12R1.460 COCCC(=O)C1CCCC1=O 1458a_100000749529_100000211823 [0,1,0,1,0,0|2,0,0]=4 2746 B12R1.460 COCCC(=O)C1CCOC1=O 1458a_100000749529_100000211211 [0,1,0,1,0,0|1,0,0]=3 2747 B12R1.460 CSCCC(=O)C1CCCC1=O 1458a_100000174002_100000211823 [0,1,0,1,0,0|2,0,0]=4 2748 B12R1.460 CSCCC(=O)C1CCOC1=O 1458a_100000174002_100000211211 [0,1,0,1,0,0|1,0,0]=3 2749 B12R1.460 N#CCCC(=O)C1CCOC1=O 1458a_100011934036_100000211211 [0,1,0,1,0,0|1,0,1]=4 2750 B12R1.460 O=C(C#CCO)C1CCOC1=O 1458a_100000049017_100000211211 [0,1,0,1,0,0|1,0,1]=4 2751 B12R1.519 C=COC(=O)CC(=O)C1CCO1 1458a_100000089072_100000036128 [0,1,0,1,0,0|0,0,2]=4 2752 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747444 [0,1,0,1,0,0|2,0,0]=4 2753 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000211992_100000686122 [0,1,0,1,0,0|2,0,0]=4 2754 B12R1.519 CCCC(=O)CC(=O)C1CCO1 1458a_100000089072_100000747444 [0,1,0,1,0,0|1,0,0]=3 2755 B12R1.519 CCCC(=O)CC(=O)C1COC1 1458a_100000758290_100000747444 [0,1,0,1,0,0|2,0,0]=4 2756 B12R1.519 CCCC(=O)CC(=O)N1CCC1 1458a_100000211992_100000185095 [0,1,0,1,0,0|2,0,0]=4 2757 B12R1.519 CCNC(=O)CC(=O)C1CCC1 1458a_100000209988_100000183381 [0,1,0,1,0,0|2,0,0]=4 2758 B12R1.519 CCNC(=O)CC(=O)C1CCO1 1458a_100000089072_100000183381 [0,1,0,1,0,0|1,0,0]=3 2759 B12R1.519 CCNC(=O)CC(=O)C1COC1 1458a_100000758290_100000183381 [0,1,0,1,0,0|2,0,0]=4 2760 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000188475 [0,1,0,1,0,0|1,0,0]=3 2761 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000243816_100000749161 [0,1,0,1,0,0|1,0,0]=3 2762 B12R1.519 CCOC(=O)CC(=O)C1CCO1 1458a_100000089072_100000188475 [0,1,0,1,0,0|0,0,0]=2 2763 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000243816_100000687716 [0,1,0,1,0,0|1,0,0]=3 2764 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000758290_100000188475 [0,1,0,1,0,0|1,0,0]=3 2765 B12R1.519 CCOC(=O)CC(=O)N1CCC1 240690a_100000754969_100000243816 [0,1,0,1,0,0|1,0,0]=3 2766 B12R1.519 O=C(CC(=O)C1CCO1)NCO 1458a_100000089072_100000185155 [0,1,0,1,0,0|2,0,0]=4 2767 B12R1.841 C=C(CC(=O)C1CC1)OCOC 1458a_100000210395_100000042856 [0,1,0,1,0,0|2,0,0]=4 2768 B12R1.841 C=CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000033060 [0,1,0,1,0,0|1,0,1]=4 2769 B12R1.841 CCC#CC(=O)CC(=O)C1CC1 1458a_100011827653_100000746382 [0,1,0,1,0,0|2,0,0]=4 2770 B12R1.841 CCC=CC(=O)CC(=O)C1CC1 1458a_100000212282_100000746382 [0,1,0,1,0,0|2,0,0]=4 2771 B12R1.841 CCCCC(=O)CC(=O)C1CC1 1458a_100000210183_100000746382 [0,1,0,1,0,0|2,0,0]=4 2772 B12R1.841 CCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183358 [0,1,0,1,0,0|2,0,0]=4 2773 B12R1.841 CCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200011215008 [0,1,0,1,0,0|1,0,0]=3 2774 B12R1.841 CCCOC(=O)CC(=O)C1CO1 1458a_100000701028_200011215008 [0,1,0,1,0,0|2,0,0]=4 2775 B12R1.841 CCOCC(=O)CC(=O)C1CC1 1458a_100000211967_100000746382 [0,1,0,1,0,0|1,0,0]=3 2776 B12R1.841 CCSCC(=O)CC(=O)C1CC1 1458a_100000230394_100000746382 [0,1,0,1,0,0|1,1,0]=4 2777 B12R1.841 COCCC(=O)CC(=O)C1CC1 1458a_100000749529_100000746382 [0,1,0,1,0,0|2,0,0]=4 2778 B12R1.841 CSCCC(=O)CC(=O)C1CC1 1458a_100000174002_100000746382 [0,1,0,1,0,0|2,0,0]=4 2779 B12R1.1446 CCNC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000230173 [0,1,0,1,0,0|2,0,0]=4 2780 B12R1.1446 CCOC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100011216346 [0,1,0,1,0,0|1,0,0]=3 2781 B12R1.1446 CCOC(=O)C(C)C(=O)C1CO1 1458a_100000701028_100011216346 [0,1,0,1,0,0|2,0,0]=4 2782 B12R1.1446 CCOC(=O)C(F)C(=O)C1CC1 1458a_100000210395_100000760018 [0,1,0,1,0,0|1,0,0]=3 2783 B12R1.1446 CCOC(=O)C(F)C(=O)C1CO1 1458a_100000701028_100000760018 [0,1,0,1,0,0|2,0,0]=4 2784 B12R1.468 C/C=C(\C)/C(=O)C1CCOC1=O 1458a_100020587367_100000211211 [0,1,0,1,0,0|1,0,1]=4 2785 B12R1.468 CCC(C)C(=O)C1CCCC1=O 1458a_100011192722_100000211823 [0,1,0,1,0,0|2,0,0]=4 2786 B12R1.468 CCC(C)C(=O)C1CCOC1=O 1458a_100011192722_100000211211 [0,1,0,1,0,0|1,0,0]=3 2787 B12R1.468 CCC(O)C(=O)C1CCCC1=O 1458a_100011196387_100000211823 [0,1,0,1,0,0|2,0,0]=4 2788 B12R1.468 CCC(O)C(=O)C1CCOC1=O 1458a_100011196387_100000211211 [0,1,0,1,0,0|1,0,0]=3 2789 B12R1.468 CNC(=O)C(=O)C1CCOC1=O 1458a_100011218921_100000211211 [0,1,0,1,0,0|2,0,0]=4 2790 B12R1.468 COC(C)C(=O)C1CCOC1=O 1458a_100000743197_100000211211 [0,1,0,1,0,0|2,0,0]=4 2791 B12R1.468 CSC(C)C(=O)C1CCOC1=O 1458a_100000149566_100000211211 [0,1,0,1,0,0|2,0,0]=4 2792 B12R1.468 O=C1OCCC1C(=O)C(O)CO 1458a_100011215603_100000211211 [0,1,0,1,0,0|2,0,0]=4 2793 B12R1.520 CCCC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000747444 [0,1,0,1,0,0|2,0,0]=4 2794 B12R1.520 CCCC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000747444 [0,1,0,1,0,0|2,0,0]=4 2795 B12R1.520 CCCC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000747444 [0,1,0,1,0,0|2,0,0]=4 2796 B12R1.520 CCNC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000183381 [0,1,0,1,0,0|2,0,0]=4 2797 B12R1.520 CCNC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000183381 [0,1,0,1,0,0|2,0,0]=4 2798 B12R1.520 CCNC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000183381 [0,1,0,1,0,0|2,0,0]=4 2799 B12R1.520 CCOC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000188475 [0,1,0,1,0,0|1,0,0]=3 2800 B12R1.520 CCOC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000188475 [0,1,0,1,0,0|1,0,0]=3 2801 B12R1.520 CCOC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000188475 [0,1,0,1,0,0|1,0,0]=3 2802 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000137746_100000210303 [0,1,0,1,0,0|2,0,0]=4 2803 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000211992_100000755940 [0,1,0,1,0,0|2,0,0]=4 2804 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 11a_100015525214_100000137746 [0,1,0,1,0,0|2,0,0]=4 2805 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 240690a_100015525214_100000137746 [0,1,0,1,0,0|2,0,0]=4 2806 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 527a_100015525214_100000137746 [0,1,0,1,0,0|2,0,0]=4 2807 B12R1.1687 CCC(C)C(=O)CC(=O)C1CC1 1458a_100011192722_100000746382 [0,1,0,1,0,0|2,0,0]=4 2808 B12R1.1687 CCC(O)C(=O)CC(=O)C1CC1 1458a_100011196387_100000746382 [0,1,0,1,0,0|2,0,0]=4 2809 B12R1.1687 CCN(C)C(=O)CC(=O)C1CC1 1458a_100000210395_100011894763 [0,1,0,1,0,0|2,0,0]=4 2810 B12R2.2372 O=C1CCCC1C(=O)C2CC2 1458a_100000210395_100000211823 [0,0,0,2,0,0|2,0,0]=4 2811 B12R2.2372 O=C1OCCC1C(=O)C2CC2 1458a_100000210395_100000211211 [0,0,0,2,0,0|1,0,0]=3 2812 B12R2.2372 O=C1OCCC1C(=O)C2CO2 1458a_100000701028_100000211211 [0,0,0,2,0,0|2,0,0]=4 2813 B12R2.7420 O=C(CC(=O)C1CC1)C2CC2 1458a_100000210395_100000746382 [0,0,0,2,0,0|2,0,0]=4 2814 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,0,0,0,1,0|2,0,0]=4 2815 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,0,0,0,1,0|2,0,0]=4 2816 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,0,0,0,1,0|1,0,0]=3 2817 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [1,0,0,0,1,0|2,0,0]=4 2818 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [1,0,0,0,1,0|2,0,0]=4 2819 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [1,0,0,0,1,0|2,0,0]=4 2820 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [1,0,0,0,1,0|2,0,0]=4 2821 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [1,0,0,0,1,0|2,0,0]=4 2822 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [1,0,0,0,1,0|2,0,0]=4 2823 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,0,0,0,1,0|1,0,0]=3 2824 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,0,0,0,1,0|1,0,0]=3 2825 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,0,0,0,1,0|1,0,0]=3 2826 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,0,0,0,1,0|1,0,0]=3 2827 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,0,0,0,1,0|1,0,0]=3 2828 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,0,0,0,1,0|1,0,0]=3 2829 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,0,0,0,1,0|1,0,1]=4 2830 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,0,0,0,1,0|1,0,1]=4 2831 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,0,0,0,1,0|1,0,1]=4 2832 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,0,0,0,1,0|1,0,1]=4 2833 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,0,0,0,1,0|1,0,1]=4 2834 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,0,0,0,1,0|1,0,1]=4 2835 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,0,0,0,1,0|1,0,1]=4 2836 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,0,0,0,1,0|2,0,0]=4 2837 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,0,0,0,1,0|2,0,0]=4 2838 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,0,0,0,1,0|2,0,0]=4 2839 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,0,0,0,1,0|2,0,0]=4 2840 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,0,0,0,1,0|2,0,0]=4 2841 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,0,0,0,1,0|2,0,0]=4 2842 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000036128_100000188475 [0,0,0,0,0,2|0,0,2]=4 2843 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000188475_100000036128 [0,0,0,0,0,2|0,0,2]=4 2844 B12R0.285 CC#CC(=O)CCCC(=O)OCC 1458a_100000763181_100011215271 [0,0,0,0,0,2|1,0,1]=4 2845 B12R0.285 CC#CC(=O)CCNC(=O)OCC 1458a_100000763181_200011445536 [0,0,0,0,0,2|1,0,1]=4 2846 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,0,0,0,0,2|1,0,1]=4 2847 B12R0.285 CC=CC(=O)CCNC(=O)OCC 1458a_100000210699_200011445536 [0,0,0,0,0,2|1,0,1]=4 2848 B12R0.285 CC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000210699 [0,0,0,0,0,2|1,0,1]=4 2849 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,0,0,0,0,2|2,0,0]=4 2850 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,0,0,0,0,2|1,0,0]=3 2851 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,0,0,0,0,2|1,0,0]=3 2852 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,0,0,0,0,2|1,0,0]=3 2853 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,0,0,0,0,2|2,0,0]=4 2854 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,0,0,0,0,2|2,0,0]=4 2855 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,0,0,0,0,2|2,0,0]=4 2856 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,0,0,0,0,2|2,0,0]=4 2857 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,0,0,0,0,2|1,0,0]=3 2858 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,0,0,0,0,2|1,0,0]=3 2859 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,0,0,0,0,2|2,0,0]=4 2860 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,0,0,0,0,2|2,0,0]=4 2861 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,0,0,0,0,2|2,0,0]=4 2862 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,0,0,0,0,2|2,0,0]=4 2863 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,0,0,0,0,2|1,0,0]=3 2864 B12R0.285 CCCC(=O)NN=CC(=O)OCC 4a_100000189770_100000742314 [0,0,0,0,0,2|1,0,1]=4 2865 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,0,0,0,0,2|2,0,0]=4 2866 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,0,0,0,0,2|2,0,0]=4 2867 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,0,0,0,0,2|2,0,0]=4 2868 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,0,0,0,0,2|1,0,0]=3 2869 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,0,0,0,0,2|1,0,0]=3 2870 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,0,0,0,0,2|1,0,0]=3 2871 B12R0.285 CCNC(=O)CCNC(=O)NCC 2708a_100015525214_100025743525 [0,0,0,0,0,2|2,0,0]=4 2872 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100015525214_100025743525 [0,0,0,0,0,2|2,0,0]=4 2873 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100025743525_100015525214 [0,0,0,0,0,2|2,0,0]=4 2874 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100015525214_100025743525 [0,0,0,0,0,2|2,0,0]=4 2875 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100025743525_100015525214 [0,0,0,0,0,2|2,0,0]=4 2876 B12R0.285 CCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000183381 [0,0,0,0,0,2|2,0,0]=4 2877 B12R0.285 CCNC(=O)CNCC(=O)OCC 2230a_100016988866_100000188475 [0,0,0,0,0,2|1,0,0]=3 2878 B12R0.285 CCNC(=O)CSCC(=O)NCC 62a_100000183381_100000183381 [0,0,0,0,0,2|2,0,0]=4 2879 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000183381_100000188475 [0,0,0,0,0,2|1,0,0]=3 2880 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183381 [0,0,0,0,0,2|1,0,0]=3 2881 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,0,0,0,0,2|2,0,0]=4 2882 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,0,0,0,0,2|2,0,0]=4 2883 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,0,0,0,0,2|2,0,0]=4 2884 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,0,0,0,0,2|2,0,0]=4 2885 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,0,0,0,0,2|2,0,0]=4 2886 B12R0.285 CCOC(=O)CCCC(=O)NNC 22a_100016993582_100000210991 [0,0,0,0,0,2|2,0,0]=4 2887 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,0,0,0,0,2|2,0,0]=4 2888 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,0,0,0,0,2|2,0,0]=4 2889 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000185155_100000188475 [0,0,0,0,0,2|2,0,0]=4 2890 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000188475_100000185155 [0,0,0,0,0,2|2,0,0]=4 2891 B12R0.285 CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000188475 [0,0,0,0,0,2|0,0,0]=2 2892 B12R0.285 CCOC(=O)NCCC(=O)CCO 1458a_100011216618_200011445536 [0,0,0,0,0,2|2,0,0]=4 2893 B12R0.285 CCOC(=O)NCCC(=O)COC 1458a_100000210968_200011445536 [0,0,0,0,0,2|2,0,0]=4 2894 B12R0.285 CCOC(=O)NCCC(=O)CSC 1458a_100000184570_200011445536 [0,0,0,0,0,2|2,0,0]=4