0 B10R0.2 C#CCC(=O)CC(=C)CCC 1458a_100000138376_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.2 C#CCC(=O)CC(=O)CCC 1458a_100011220946_100000747444 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.2 C#CCC(=O)CC(=O)NCC 1458a_100011220946_100000183381 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 C#CCC(=O)CC(=O)NCO 1458a_100011220946_100000185155 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.2 C#CCC(=O)CC(=O)OC=C 1458a_100011220946_100000036128 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,0,0,0,0,0|0,0,2]=2 7 B10R0.2 C#CCC(=O)CS(=O)CCC 1458a_100011387404_100000184674 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.2 C=C(CCC)CC(=O)CC#N 1458a_100000138376_100011214920 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,0,0,0,0,0|2,0,0]=2 13 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,0,0,0,0,0|2,0,0]=2 17 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,0,0,0,0,0|2,0,0]=2 18 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [0,0,0,0,0,0|1,0,2]=3 22 B10R0.2 C=CCC(=O)CC(=O)NCO 1458a_100000210193_100000185155 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.2 C=CCC(=O)CC(=O)OC=C 1458a_100000210193_100000036128 [0,0,0,0,0,0|0,0,4]=4 24 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,0,0,0,0,0|0,0,2]=2 25 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,0,0,0,0,0|0,0,2]=2 26 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.2 C=COC(=O)CC(=O)C#CC 1458a_100000763181_100000036128 [0,0,0,0,0,0|0,0,4]=4 31 B10R0.2 C=COC(=O)CC(=O)C=CC 1458a_100000210699_100000036128 [0,0,0,0,0,0|0,0,4]=4 32 B10R0.2 C=COC(=O)CC(=O)CC#N 1458a_100051588842_100000036128 [0,0,0,0,0,0|1,0,3]=4 33 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,0,0,0,0,0|0,0,2]=2 34 B10R0.2 C=COC(=O)CC(=O)CCO 1458a_100011216618_100000036128 [0,0,0,0,0,0|1,0,2]=3 35 B10R0.2 C=COC(=O)CC(=O)COC 1458a_100000210968_100000036128 [0,0,0,0,0,0|1,0,2]=3 36 B10R0.2 C=COC(=O)CC(=O)CSC 1458a_100000184570_100000036128 [0,0,0,0,0,0|1,0,2]=3 37 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,0,0,0,0,0|1,0,1]=2 40 B10R0.2 CC#CC(=O)CC(=O)NCC 1458a_100000763181_100000183381 [0,0,0,0,0,0|1,0,2]=3 41 B10R0.2 CC#CC(=O)CC(=O)NCO 1458a_100000763181_100000185155 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,0,0,0,0,0|0,0,2]=2 43 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,0,0,0,0,0|1,0,1]=2 45 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,0,0,0,0,0|1,0,2]=3 46 B10R0.2 CC=CC(=O)CC(=O)NCO 1458a_100000210699_100000185155 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,0,0,0,0,0|0,0,2]=2 48 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.2 CCCC(=CC(=O)CCF)C 1458a_100020676950_100011217306 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.2 CCCC(=CC(=O)CCO)C 1458a_100020676950_100000211926 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,0,0,0,0,0|2,0,1]=3 52 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,0,0,0,0,0|2,0,1]=3 53 B10R0.2 CCCC(=CC(=O)NNC)C 22a_100016993582_100020676950 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,0,0,0,0,0|2,0,1]=3 55 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,0,0,0,0,0|2,0,1]=3 56 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,0,0,0,0,0|2,0,1]=3 57 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,0,0,0,0,0|2,0,1]=3 58 B10R0.2 CCCC(=O)CC(=O)CC#N 1458a_100051588842_100000747444 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,0,0,0,0,0|1,0,0]=1 60 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,0,0,0,0,0|2,0,0]=2 61 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,0,0,0,0,0|2,0,0]=2 62 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,0,0,0,0,0|2,0,0]=2 63 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,0,0,0,0,0|1,0,0]=1 64 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,0,0,0,0,0|2,0,0]=2 65 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,0,0,0,0,0|0,0,0]=0 66 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,0,0,0,0,0|0,0,0]=0 67 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,0,0,0,0,0|2,0,1]=3 68 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,0,0,0,0,0|2,0,1]=3 69 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,0,0,0,0,0|1,1,1]=3 70 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,0,0,0,0,0|3,0,0]=3 71 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,0,0,0,0,0|3,0,0]=3 72 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,0,0,0,0,0|4,0,0]=4 73 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,0,0,0,0,0|4,0,0]=4 74 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,0,0,0,0,0|2,0,0]=2 75 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,0,0,0,0,0|2,0,1]=3 85 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,0,0,0,0,0|2,0,1]=3 86 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,0,0,0,0,0|2,0,1]=3 87 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,0,0,0,0,0|3,0,0]=3 94 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,0,0,0,0,0|3,0,0]=3 95 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,0,0,0,0,0|3,0,0]=3 96 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,0,0,0,0,0|3,0,0]=3 97 B10R0.2 CCCN(C)CC(=O)NCO 2230a_100000747261_100000185155 [0,0,0,0,0,0|4,0,0]=4 98 B10R0.2 CCCN(C)CC(=O)NCO 269982a_100000747261_100000185155 [0,0,0,0,0,0|4,0,0]=4 99 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,0,0,0,0,0|2,0,0]=2 100 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,0,0,0,0,0|2,0,0]=2 101 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,0,0,0,0,0|2,0,0]=2 102 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,0,0,0,0,0|2,0,0]=2 103 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,0,0,0,0,0|2,0,0]=2 104 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,0,0,0,0,0|2,0,0]=2 105 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,0,0,0,0,0|2,0,0]=2 106 B10R0.2 CCCS(=O)CC(=O)CC#N 1458a_100011387404_100011214920 [0,0,0,0,0,0|3,0,1]=4 107 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,0,0,0,0,0|3,0,0]=3 108 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,0,0,0,0,0|3,0,0]=3 109 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,0,0,0,0,0|2,0,0]=2 110 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,0,0,0,0,0|2,0,0]=2 111 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,0,0,0,0,0|2,0,0]=2 112 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,0,0,0,0,0|3,0,0]=3 113 B10R0.2 CCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183381 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.2 CCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183381 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.2 CCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183381 [0,0,0,0,0,0|2,0,2]=4 116 B10R0.2 CCNC(=O)CC(=O)CC#N 1458a_100051588842_100000183381 [0,0,0,0,0,0|2,0,1]=3 117 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,0,0,0,0,0|2,0,0]=2 118 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,0,0,0,0,0|2,0,0]=2 119 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,0,0,0,0,0|2,0,0]=2 120 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,0,0,0,0,0|1,0,0]=1 121 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,0,0,0,0,0|2,1,1]=4 122 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,0,0,0,0,0|2,1,1]=4 123 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,0,0,0,0,0|2,1,1]=4 124 B10R0.2 CCNC(=O)CN(C)CCF 2230a_100000741943_100011217306 [0,0,0,0,0,0|4,0,0]=4 125 B10R0.2 CCNC(=O)CN(C)CCF 269982a_100000741943_100011217306 [0,0,0,0,0,0|4,0,0]=4 126 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,0,0,0,0,0|4,0,0]=4 127 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,0,0,0,0,0|4,0,0]=4 129 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,0,0,0,0,0|4,0,0]=4 130 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,0,0,0,0,0|4,0,0]=4 131 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,0,0,0,0,0|4,0,0]=4 132 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,0,0,0,0,0|4,0,0]=4 133 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,0,0,0,0,0|4,0,0]=4 134 B10R0.2 CCNC(=O)NC(=O)CNC 2230a_106832991635_100000183762 [0,0,0,0,0,0|3,0,0]=3 135 B10R0.2 CCNC(=O)NC(=O)CNC 7a_106832991635_100000183762 [0,0,0,0,0,0|3,0,0]=3 136 B10R0.2 CCNC(=O)NC(=O)CSC 62a_200000210301_100000183762 [0,0,0,0,0,0|3,0,0]=3 137 B10R0.2 CCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183762 [0,0,0,0,0,0|3,0,0]=3 138 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,0,0,0,0,0|2,0,1]=3 139 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,0,0,0,0,0|2,0,1]=3 140 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,0,0,0,0,0|2,0,1]=3 141 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,0,0,0,0,0|2,0,1]=3 142 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,0,0,0,0,0|2,0,1]=3 143 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,0,0,0,0,0|2,0,1]=3 144 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,0,0,0,0,0|2,0,1]=3 145 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,0,0,0,0,0|2,0,1]=3 146 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,0,0,0,0,0|2,0,1]=3 147 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,0,0,0,0,0|1,0,2]=3 148 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,0,0,0,0,0|1,0,2]=3 149 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,0,0,0,0,0|1,0,2]=3 150 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,0,0,0,0,0|1,0,1]=2 151 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,0,0,0,0,0|1,0,1]=2 152 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,0,0,0,0,0|1,0,0]=1 153 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,0,0,0,0,0|1,0,0]=1 154 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,0,0,0,0,0|1,0,0]=1 155 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,0,0,0,0,0|1,0,0]=1 156 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,0,0,0,0,0|1,0,0]=1 157 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,0,0,0,0,0|1,0,0]=1 158 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,0,0,0,0,0|1,0,0]=1 159 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,0,0,0,0,0|1,0,0]=1 160 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,0,0,0,0,0|1,0,0]=1 161 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,0,0,0,0,0|2,0,0]=2 162 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,0,0,0,0,0|2,0,1]=3 163 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,0,0,0,0,0|2,0,1]=3 164 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,0,0,0,0,0|3,0,0]=3 170 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,0,0,0,0,0|3,0,0]=3 171 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,0,0,0,0,0|3,0,0]=3 172 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,0,0,0,0,0|3,0,0]=3 173 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,0,0,0,0,0|3,0,0]=3 174 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,0,0,0,0,0|3,0,0]=3 175 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,0,0,0,0,0|2,0,1]=3 176 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,0,0,0,0,0|1,0,2]=3 178 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,0,0,0,0,0|1,0,2]=3 179 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,0,0,0,0,0|1,0,2]=3 180 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,0,0,0,0,0|1,0,2]=3 181 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,0,0,0,0,0|1,0,2]=3 182 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,0,0,0,0,0|1,0,2]=3 183 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,0,0,0,0,0|1,0,2]=3 184 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,0,0,0,0,0|2,0,0]=2 185 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,0,0,0,0,0|2,0,0]=2 186 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,0,0,0,0,0|2,0,0]=2 187 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,0,0,0,0,0|2,1,1]=4 190 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,0,0,0,0,0|2,1,1]=4 191 B10R0.2 COCC(=O)CC(=O)NCO 1458a_100000210968_100000185155 [0,0,0,0,0,0|3,0,0]=3 192 B10R0.2 CSCC(=O)CC(=O)NCO 1458a_100000184570_100000185155 [0,0,0,0,0,0|3,0,0]=3 193 B10R0.2 N#CCC(=O)CC(=O)NCO 1458a_100051588842_100000185155 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.2 O=C(CCO)CC(=O)NCO 1458a_100011216618_100000185155 [0,0,0,0,0,0|3,0,0]=3 195 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [1,0,0,0,0,0|1,0,2]=4 196 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [1,0,0,0,0,0|1,0,2]=4 197 B9R0.5 C#CCC(=O)C=COCC 1458a_100016266692_100000184674 [1,0,0,0,0,0|0,0,3]=4 198 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [1,0,0,0,0,0|0,0,3]=4 199 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [1,0,0,0,0,0|0,0,3]=4 200 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [1,0,0,0,0,0|1,0,2]=4 201 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [1,0,0,0,0,0|1,0,2]=4 202 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [1,0,0,0,0,0|1,0,2]=4 203 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,0,0,0,0,0|1,0,2]=4 204 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [1,0,0,0,0,0|1,0,2]=4 205 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [1,0,0,0,0,0|1,0,2]=4 206 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [1,0,0,0,0,0|0,0,3]=4 207 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [1,0,0,0,0,0|0,0,3]=4 208 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [1,0,0,0,0,0|0,0,3]=4 209 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,0,0,0,0,0|1,0,2]=4 210 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,0,0,0,0,0|1,0,2]=4 211 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,0,0,0,0,0|1,0,2]=4 212 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,0,0,0,0,0|1,0,2]=4 213 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [1,0,0,0,0,0|1,0,2]=4 214 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,0,0,0,0,0|1,0,2]=4 215 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,0,0,0,0,0|1,0,2]=4 216 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,0,0,0,0,0|0,0,3]=4 217 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [1,0,0,0,0,0|1,0,2]=4 218 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|1,0,2]=4 219 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,0,0,0,0,0|0,0,3]=4 220 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|1,0,0]=2 222 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,0,0,0,0,0|2,0,0]=3 223 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,0,0,0,0,0|2,0,0]=3 224 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,0,0,0,0,0|1,0,1]=3 225 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,0,0,0,0,0|1,0,1]=3 226 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,0,0,0,0,0|1,0,1]=3 227 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [1,0,0,0,0,0|2,0,1]=4 228 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [1,0,0,0,0,0|2,0,1]=4 229 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|1,0,0]=2 230 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,0,0,0,0,0|2,0,0]=3 231 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,0,0,0,0,0|2,0,0]=3 232 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,0,0,0,0,0|2,0,0]=3 233 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [1,0,0,0,0,0|3,0,0]=4 234 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [1,0,0,0,0,0|3,0,0]=4 235 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [1,0,0,0,0,0|1,0,2]=4 236 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|1,0,2]=4 237 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,0,0,0,0|0,0,3]=4 238 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|1,0,1]=3 239 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [1,0,0,0,0,0|3,0,0]=4 243 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,0,0,0,0|1,0,2]=4 244 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,0,0,0,0,0|1,0,2]=4 245 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,0,0,0,0,0|2,0,1]=4 246 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,0,0,0,0,0|0,0,1]=2 247 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [1,0,0,0,0,0|2,0,1]=4 248 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|2,0,1]=4 249 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|2,0,1]=4 250 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|2,0,1]=4 251 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|2,0,1]=4 252 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|2,0,1]=4 253 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|2,0,1]=4 254 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|0,0,1]=2 255 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|0,0,1]=2 256 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|0,1,1]=3 257 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|0,1,1]=3 258 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|3,0,0]=4 259 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|3,0,0]=4 260 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|3,0,0]=4 261 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|3,0,0]=4 262 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|3,0,0]=4 263 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|3,0,0]=4 264 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|3,0,0]=4 265 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|3,0,0]=4 266 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|3,0,0]=4 267 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|3,0,0]=4 268 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|1,0,1]=3 270 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,0,0,0,0|1,1,1]=4 271 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,0,0,0,0,0|1,0,2]=4 272 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,0,0,0,0,0|1,0,2]=4 273 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|1,0,1]=3 274 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,0,0,0,0,0|2,0,1]=4 275 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,0,0,0,0,0|2,0,1]=4 276 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|1,0,1]=3 277 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|1,0,1]=3 278 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [1,0,0,0,0,0|2,0,1]=4 279 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|1,0,1]=3 280 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|1,0,1]=3 281 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|2,0,1]=4 282 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|2,0,1]=4 283 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|2,0,1]=4 284 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|2,0,1]=4 285 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|2,0,1]=4 286 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|2,0,1]=4 287 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|2,0,1]=4 292 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|2,0,1]=4 293 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|2,0,1]=4 294 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|1,0,1]=3 295 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|1,0,1]=3 296 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|1,0,1]=3 297 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,0,0,0,0|1,0,2]=4 299 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,0,0,0,0|1,0,2]=4 300 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,0,0,0,0|1,0,2]=4 301 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 302 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 303 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 304 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|2,0,1]=4 305 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,1]=4 306 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,1]=4 307 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,1]=4 308 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,1]=4 309 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,1]=4 310 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,1]=4 311 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,0,0,0,0,0|2,0,1]=4 312 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,0,0,0,0,0|2,0,1]=4 313 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|2,0,0]=3 314 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,0,0,0,0|3,0,0]=4 315 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 316 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,0,0,0,0,0|3,0,0]=4 317 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 318 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|2,0,0]=3 319 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|3,0,0]=4 320 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|3,0,0]=4 321 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 322 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 323 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|2,0,0]=3 324 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 325 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,0,0,0,0,0|3,0,0]=4 326 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,0,0,0,0,0|3,0,0]=4 327 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|1,0,0]=2 328 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|2,0,0]=3 329 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|2,0,0]=3 330 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|2,0,0]=3 331 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|3,0,0]=4 332 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|3,0,0]=4 333 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 334 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 335 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 336 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|2,0,0]=3 337 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|2,0,0]=3 338 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,0,0,0,0,0|3,0,0]=4 339 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,0,0,0,0,0|3,0,0]=4 340 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,0,0,0,0,0|3,0,0]=4 341 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|1,0,0]=2 342 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|1,0,0]=2 343 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,0,0,0,0,0|1,0,2]=4 344 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [1,0,0,0,0,0|2,0,1]=4 345 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [1,0,0,0,0,0|2,0,1]=4 346 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [1,0,0,0,0,0|1,0,1]=3 347 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [1,0,0,0,0,0|1,0,1]=3 348 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|2,0,1]=4 349 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|2,0,1]=4 350 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|2,0,1]=4 351 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|2,0,1]=4 353 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|2,0,1]=4 354 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|1,0,1]=3 355 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|1,0,1]=3 356 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|1,0,1]=3 357 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|1,1,1]=4 358 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|1,1,1]=4 359 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|1,1,1]=4 360 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|1,1,1]=4 361 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|1,1,1]=4 362 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,0,0,0,0,0|3,0,0]=4 363 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,0,0,0,0,0|3,0,0]=4 364 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,0,0,0,0,0|3,0,0]=4 365 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,0,0,0,0,0|3,0,0]=4 366 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,0,0,0,0,0|3,0,0]=4 367 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,0,0,0,0,0|3,0,0]=4 368 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,0,0,0,0,0|3,0,0]=4 369 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 370 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,0,0,0,0,0|3,0,0]=4 371 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,0,0,0,0,0|3,0,0]=4 372 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,0,0,0,0,0|3,0,0]=4 373 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,0,0,0,0,0|3,0,0]=4 374 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,0,0,0,0,0|3,0,0]=4 375 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 376 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,0,0,0,0,0|3,0,0]=4 377 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,0,0,0,0,0|3,0,0]=4 378 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,0,0,0,0,0|3,0,0]=4 379 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,0,0,0,0,0|3,0,0]=4 380 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|2,0,1]=4 381 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|2,0,1]=4 382 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|1,0,1]=3 383 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,0,0,0,0,0|2,0,1]=4 384 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,0,0,0,0,0|1,0,1]=3 385 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,0,0,0,0,0|1,0,1]=3 386 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,0,0,0,0,0|1,0,1]=3 387 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,0,0,0,0,0|1,0,1]=3 388 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,0,0,0,0,0|1,0,1]=3 389 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,0,0,0,0,0|1,0,1]=3 390 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,0,0,0,0,0|1,0,1]=3 391 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,0,0,0,0,0|1,0,1]=3 392 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|1,0,1]=3 393 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|1,0,1]=3 394 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|1,0,1]=3 395 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|1,0,1]=3 396 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|1,0,1]=3 397 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|1,0,1]=3 398 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|1,0,1]=3 399 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|1,0,1]=3 400 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|1,0,1]=3 401 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|1,0,1]=3 402 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|1,0,1]=3 403 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|1,0,1]=3 404 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,0,0,0,0,0|2,0,1]=4 405 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,0,0,0,0,0|2,0,1]=4 406 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,0,0,0,0,0|2,0,0]=3 407 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|2,0,0]=3 408 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|2,0,0]=3 409 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 410 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,0,0,0,0,0|2,0,0]=3 411 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [1,0,0,0,0,0|2,0,1]=4 412 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [1,0,0,0,0,0|2,0,1]=4 413 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,0,0,0,0,0|2,0,1]=4 414 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,0,0,0,0,0|2,0,1]=4 415 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,0,0,0,0,0|2,0,0]=3 416 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,0,0,0,0,0|2,0,0]=3 417 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|2,0,0]=3 418 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 419 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,0,0,0,0,0|2,0,0]=3 420 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,0,0,0,0,0|2,0,0]=3 421 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,0,0,0,0,0|2,0,0]=3 422 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,0,0,0,0,0|2,0,0]=3 423 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|2,0,1]=4 424 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|2,0,1]=4 428 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.5 CCOC=CC(=O)CC#N 1458a_100016266692_100011214920 [1,0,0,0,0,0|1,0,2]=4 430 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [1,0,0,0,0,0|1,0,1]=3 431 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [1,0,0,0,0,0|1,0,1]=3 432 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [1,0,0,0,0,0|2,0,1]=4 433 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [1,0,0,0,0,0|1,0,2]=4 434 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [1,0,0,0,0,0|1,0,2]=4 435 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|1,0,1]=3 436 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|1,0,1]=3 437 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|1,0,1]=3 438 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|1,0,1]=3 439 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|1,0,1]=3 440 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,0,0,0,0,0|2,0,1]=4 441 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|1,0,1]=3 442 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|1,1,1]=4 443 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|1,1,1]=4 444 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|1,1,1]=4 445 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|1,1,1]=4 446 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|1,1,1]=4 447 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [1,0,0,0,0,0|0,0,2]=3 448 B9R0.34 C#CC(=O)CC(=O)NCC 1458a_100000211873_100000183381 [1,0,0,0,0,0|1,0,2]=4 449 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [1,0,0,0,0,0|0,0,2]=3 450 B9R0.34 C#CCC(=O)CC(=O)CC 1458a_100011220946_100000747405 [1,0,0,0,0,0|0,0,2]=3 451 B9R0.34 C#CCC(=O)CC(=O)NC 1458a_100011220946_100000183359 [1,0,0,0,0,0|1,0,2]=4 452 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [1,0,0,0,0,0|0,0,2]=3 453 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [1,0,0,0,0,0|0,0,2]=3 454 B9R0.34 C=C(C#N)CC(=O)CCC 1458a_100000211992_100000694840 [1,0,0,0,0,0|2,0,1]=4 455 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,0,0,0,0,0|1,0,0]=2 456 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [1,0,0,0,0,0|2,0,0]=3 457 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [1,0,0,0,0,0|2,0,0]=3 458 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [1,0,0,0,0,0|2,0,0]=3 459 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [1,0,0,0,0,0|2,0,0]=3 460 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [1,0,0,0,0,0|0,0,2]=3 461 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [1,0,0,0,0,0|1,0,2]=4 462 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [1,0,0,0,0,0|0,0,2]=3 463 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [1,0,0,0,0,0|0,0,2]=3 464 B9R0.34 C=CCC(=O)CC(=O)NC 1458a_100000210193_100000183359 [1,0,0,0,0,0|1,0,2]=4 465 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [1,0,0,0,0,0|0,0,2]=3 466 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [1,0,0,0,0,0|0,0,2]=3 467 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [1,0,0,0,0,0|0,0,2]=3 468 B9R0.34 C=COC(=O)CC(=O)CO 1458a_100000210174_100000036128 [1,0,0,0,0,0|1,0,2]=4 469 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [1,0,0,0,0,0|0,0,2]=3 470 B9R0.34 CC#CC(=O)CC(=O)NC 1458a_100000763181_100000183359 [1,0,0,0,0,0|1,0,2]=4 471 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [1,0,0,0,0,0|0,0,2]=3 472 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [1,0,0,0,0,0|0,0,2]=3 473 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [1,0,0,0,0,0|1,0,2]=4 474 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [1,0,0,0,0,0|0,0,2]=3 475 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [1,0,0,0,0,0|2,0,1]=4 476 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [1,0,0,0,0,0|2,0,1]=4 477 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [1,0,0,0,0,0|1,0,2]=4 478 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [1,0,0,0,0,0|1,0,2]=4 479 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [1,0,0,0,0,0|1,0,2]=4 480 B9R0.34 CCC(=O)CC(=O)CC#N 1458a_100051588842_100000747405 [1,0,0,0,0,0|1,0,1]=3 481 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [1,0,0,0,0,0|1,0,0]=2 482 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [1,0,0,0,0,0|1,0,0]=2 483 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [1,0,0,0,0,0|1,0,0]=2 484 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [1,0,0,0,0,0|2,0,0]=3 485 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [1,0,0,0,0,0|3,0,0]=4 486 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,0,0,0,0,0|2,0,1]=4 487 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,0,0,0,0,0|2,0,1]=4 488 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,0,0,0,0,0|2,0,1]=4 489 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,0,0,0,0,0|2,0,1]=4 491 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,0,0,0,0,0|1,0,2]=4 492 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,0,0,0,0,0|1,0,2]=4 493 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,0,0,0,0,0|1,0,2]=4 494 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,0,0,0,0,0|1,0,2]=4 495 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,0,0,0,0,0|1,0,2]=4 496 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,0,0,0,0,0|1,0,1]=3 497 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [1,0,0,0,0,0|2,0,1]=4 498 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [1,0,0,0,0,0|2,0,1]=4 499 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [1,0,0,0,0,0|2,0,1]=4 500 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [1,0,0,0,0,0|2,0,1]=4 501 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,0,0,0,0,0|1,0,1]=3 502 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,0,0,0,0,0|0,0,0]=1 503 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,0,0,0,0,0|0,0,0]=1 504 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,0,0,0,0,0|1,0,0]=2 505 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,0,0,0,0,0|1,0,0]=2 506 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,0,0,0,0,0|0,0,0]=1 507 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,0,0,0,0,0|0,0,0]=1 508 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,0,0,0,0,0|1,0,1]=3 509 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,0,0,0,0,0|1,0,1]=3 510 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,0,0,0,0,0|0,0,2]=3 511 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,0,0,0,0,0|0,0,2]=3 512 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,0,0,0,0,0|2,0,0]=3 513 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,0,0,0,0,0|2,0,0]=3 514 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,0,0,0,0,0|2,0,0]=3 515 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,0,0,0,0,0|1,0,1]=3 516 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,0,0,0,0,0|2,0,1]=4 517 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,0,0,0,0,0|2,0,1]=4 518 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,0,0,0,0,0|2,0,1]=4 519 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,0,0,0,0,0|2,0,1]=4 520 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,0,0,0,0,0|2,0,1]=4 521 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [1,0,0,0,0,0|1,0,1]=3 522 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [1,0,0,0,0,0|1,0,1]=3 523 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [1,0,0,0,0,0|2,0,1]=4 524 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,0,0,0,0,0|2,0,1]=4 525 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [1,0,0,0,0,0|2,0,1]=4 526 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [1,0,0,0,0,0|2,0,1]=4 527 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [1,0,0,0,0,0|2,0,1]=4 528 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [1,0,0,0,0,0|2,0,1]=4 529 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [1,0,0,0,0,0|2,0,1]=4 530 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [1,0,0,0,0,0|2,0,1]=4 531 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [1,0,0,0,0,0|2,0,1]=4 532 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [1,0,0,0,0,0|2,0,1]=4 533 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [1,0,0,0,0,0|2,0,0]=3 534 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [1,0,0,0,0,0|3,0,0]=4 535 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [1,0,0,0,0,0|3,0,0]=4 536 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [1,0,0,0,0,0|3,0,0]=4 537 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [1,0,0,0,0,0|2,0,0]=3 538 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [1,0,0,0,0,0|2,0,0]=3 539 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [1,0,0,0,0,0|2,0,0]=3 540 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,0,0,0,0,0|1,0,0]=2 541 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [1,0,0,0,0,0|2,0,0]=3 542 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [1,0,0,0,0,0|2,0,0]=3 543 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [1,0,0,0,0,0|2,0,0]=3 544 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [1,0,0,0,0,0|2,0,0]=3 545 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [1,0,0,0,0,0|2,0,0]=3 546 B9R0.34 CCN(C)CC(=O)CCF 1458a_100116209913_100011217306 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.34 CCN(C)CC(=O)CCO 1458a_100116209913_100000211926 [1,0,0,0,0,0|3,0,0]=4 548 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [1,0,0,0,0,0|2,0,1]=4 549 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [1,0,0,0,0,0|2,0,1]=4 550 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,0,0,0,0,0|1,0,0]=2 551 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [1,0,0,0,0,0|2,0,0]=3 552 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [1,0,0,0,0,0|1,0,0]=2 553 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,0,0,0,0,0|2,0,1]=4 554 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,0,0,0,0,0|2,0,1]=4 555 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,0,0,0,0,0|2,0,1]=4 556 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,0,0,0,0,0|1,0,2]=4 557 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,0,0,0,0,0|3,0,0]=4 558 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,0,0,0,0,0|3,0,0]=4 559 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,0,0,0,0,0|3,0,0]=4 560 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,0,0,0,0,0|3,0,0]=4 561 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,0,0,0,0,0|3,0,0]=4 562 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,0,0,0,0,0|3,0,0]=4 563 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [1,0,0,0,0,0|2,0,1]=4 564 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,0,0,0,0,0|0,0,0]=1 565 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,0,0,0,0,0|0,0,0]=1 566 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,0,0,0,0,0|1,0,0]=2 567 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,0,0,0,0,0|1,0,0]=2 568 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,0,0,0,0,0|1,0,0]=2 569 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,0,0,0,0,0|2,0,1]=4 570 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,0,0,0,0,0|2,0,1]=4 571 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,0,0,0,0,0|2,0,1]=4 572 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,0,0,0,0,0|2,0,1]=4 573 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,0,0,0,0,0|2,0,1]=4 574 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,0,0,0,0,0|2,0,1]=4 575 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,0,0,0,0,0|2,0,0]=3 576 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,0,0,0,0,0|2,0,0]=3 577 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,0,0,0,0,0|2,0,0]=3 578 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,0,0,0,0,0|2,0,0]=3 579 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,0,0,0,0,0|2,0,0]=3 580 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,0,0,0,0,0|2,0,0]=3 581 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,0,0,0,0,0|2,0,0]=3 582 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,0,0,0,0,0|2,0,1]=4 583 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,0,0,0,0,0|2,0,1]=4 584 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [1,0,0,0,0,0|2,0,1]=4 585 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [1,0,0,0,0,0|1,1,1]=4 586 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [1,0,0,0,0,0|2,0,1]=4 587 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [1,0,0,0,0,0|2,0,1]=4 588 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,0,0,0,0,0|2,0,1]=4 589 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,0,0,0,0,0|2,0,1]=4 590 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,0,0,0,0,0|2,0,1]=4 591 B9R0.34 CNC(=O)CC(=O)CC#N 1458a_100051588842_100000183359 [1,0,0,0,0,0|2,0,1]=4 592 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [1,0,0,0,0,0|2,0,0]=3 593 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [1,0,0,0,0,0|2,0,0]=3 594 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [1,0,0,0,0,0|2,0,0]=3 595 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [1,0,0,0,0,0|1,0,2]=4 596 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [1,0,0,0,0,0|1,0,2]=4 597 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [1,0,0,0,0,0|2,0,0]=3 598 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [1,0,0,0,0,0|1,0,2]=4 599 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [1,0,0,0,0,0|1,0,2]=4 600 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [1,0,0,0,0,0|1,0,2]=4 601 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [1,0,0,0,0,0|1,0,1]=3 602 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [1,0,0,0,0,0|1,0,1]=3 603 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [1,0,0,0,0,0|1,0,0]=2 604 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [1,0,0,0,0,0|1,0,0]=2 605 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [1,0,0,0,0,0|1,0,0]=2 606 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [1,0,0,0,0,0|1,0,0]=2 607 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [1,0,0,0,0,0|1,0,0]=2 608 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [1,0,0,0,0,0|1,0,0]=2 609 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [1,0,0,0,0,0|1,0,0]=2 610 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [1,0,0,0,0,0|1,0,0]=2 611 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [1,0,0,0,0,0|3,0,0]=4 612 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [1,0,0,0,0,0|3,0,0]=4 613 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [1,0,0,0,0,0|3,0,0]=4 614 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [1,0,0,0,0,0|3,0,0]=4 615 B9R0.34 COC(=O)CN(C)CSC 2230a_100000198492_100011218213 [1,0,0,0,0,0|3,0,0]=4 616 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [1,0,0,0,0,0|1,0,2]=4 617 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [1,0,0,0,0,0|1,0,2]=4 618 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [1,0,0,0,0,0|1,0,2]=4 619 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [1,0,0,0,0,0|1,0,2]=4 620 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [1,0,0,0,0,0|2,0,0]=3 621 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [1,0,0,0,0,0|2,0,0]=3 622 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [1,0,0,0,0,0|1,0,0]=2 623 B9R0.34 COCN(C)CC(=O)OC 2230a_100000198492_100000766300 [1,0,0,0,0,0|3,0,0]=4 624 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [1,0,0,0,0,0|1,0,2]=4 625 B9R0.34 O=C(CO)CC(=O)NCO 1458a_100000210174_100000185155 [1,0,0,0,0,0|3,0,0]=4 626 B11R0.1 C#CCC(=O)CC(=O)NC(C)C 1458a_100011220946_100000183996 [0,1,0,0,0,0|1,0,2]=4 627 B11R0.1 C#CCC(=O)CC(=O)OC(C)C 1458a_100011220946_100011215430 [0,1,0,0,0,0|0,0,2]=3 628 B11R0.1 C=C(C)CC(=O)CC(=C)CCC 1458a_100000138376_100000748629 [0,1,0,0,0,0|2,0,1]=4 629 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,1,0,0,0,0|0,0,1]=2 630 B11R0.1 C=C(C)CC(=O)CS(=O)CCC 1458a_100011387404_100000748629 [0,1,0,0,0,0|2,0,1]=4 631 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000220588_100000748629 [0,1,0,0,0,0|2,0,1]=4 632 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000225649_100000188475 [0,1,0,0,0,0|2,0,1]=4 633 B11R0.1 C=C(C)CN(C)CC(=O)OCC 269982a_100000225649_100000188475 [0,1,0,0,0,0|2,0,1]=4 634 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,0|2,0,0]=3 635 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,1,0,0,0,0|2,0,0]=3 636 B11R0.1 C=C(CCC)CC(=O)CC(F)F 1458a_100000138376_100011934356 [0,1,0,0,0,0|3,0,0]=4 637 B11R0.1 C=C(CCC)CC(=O)NC(C)C 11a_100138425928_100000138376 [0,1,0,0,0,0|2,0,0]=3 638 B11R0.1 C=C(CCC)CC(=O)NC(C)C 240690a_100138425928_100000138376 [0,1,0,0,0,0|2,0,0]=3 639 B11R0.1 C=C(CCC)CC(=O)NC(C)C 527a_100138425928_100000138376 [0,1,0,0,0,0|2,0,0]=3 640 B11R0.1 C=C(F)CC(=O)CC(=O)OCC 1458a_100000243816_100009893438 [0,1,0,0,0,0|0,0,2]=3 641 B11R0.1 C=CCC(=O)CC(=O)NC(C)C 1458a_100000210193_100000183996 [0,1,0,0,0,0|1,0,2]=4 642 B11R0.1 C=CCC(=O)CC(=O)OC(C)C 1458a_100000210193_100011215430 [0,1,0,0,0,0|0,0,2]=3 643 B11R0.1 C=COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000036128 [0,1,0,0,0,0|0,0,2]=3 644 B11R0.1 C=COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000036128 [0,1,0,0,0,0|1,0,2]=4 645 B11R0.1 C=COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000036128 [0,1,0,0,0,0|0,0,2]=3 646 B11R0.1 C=COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000036128 [0,1,0,0,0,0|1,0,2]=4 647 B11R0.1 CC#CC(=O)CC(=O)NC(C)C 1458a_100000763181_100000183996 [0,1,0,0,0,0|1,0,2]=4 648 B11R0.1 CC#CC(=O)CC(=O)OC(C)C 1458a_100000763181_100011215430 [0,1,0,0,0,0|0,0,2]=3 649 B11R0.1 CC(=O)NC(=O)CC(=O)CCO 1458a_100011216618_100000183797 [0,1,0,0,0,0|2,0,1]=4 650 B11R0.1 CC(C)CC(=O)CC(=O)NCO 1458a_100000210554_100000185155 [0,1,0,0,0,0|2,0,0]=3 651 B11R0.1 CC(C)NC(=O)CC(=O)CC#N 1458a_100051588842_100000183996 [0,1,0,0,0,0|2,0,1]=4 652 B11R0.1 CC(C)NC(=O)CC(=O)CCO 1458a_100011216618_100000183996 [0,1,0,0,0,0|2,0,0]=3 653 B11R0.1 CC(C)OC(=O)CC(=O)C=CBr 1458a_100016273825_100011215430 [0,1,0,0,0,0|1,0,2]=4 654 B11R0.1 CC(C)OC(=O)CC(=O)C=CCl 1458a_200016279998_100011215430 [0,1,0,0,0,0|1,0,2]=4 655 B11R0.1 CC(C)OC(=O)CC(=O)C=CI 1458a_100016256311_100011215430 [0,1,0,0,0,0|1,0,2]=4 656 B11R0.1 CC(C)OC(=O)CC(=O)CC#N 1458a_100051588842_100011215430 [0,1,0,0,0,0|1,0,1]=3 657 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,1,0,0,0,0|1,0,0]=2 658 B11R0.1 CC(C)OC(=O)CN(C)CCO 2230a_100000210263_100011215430 [0,1,0,0,0,0|3,0,0]=4 659 B11R0.1 CC(C)OC(=O)CN(C)CCO 269982a_100000210263_100011215430 [0,1,0,0,0,0|3,0,0]=4 660 B11R0.1 CC=CC(=O)CC(=O)NC(C)C 1458a_100000210699_100000183996 [0,1,0,0,0,0|1,0,2]=4 661 B11R0.1 CC=CC(=O)CC(=O)OC(C)C 1458a_100000210699_100011215430 [0,1,0,0,0,0|0,0,2]=3 662 B11R0.1 CCCC(=CC(=O)CC(C)C)C 1458a_100020676950_100000210624 [0,1,0,0,0,0|2,0,1]=4 663 B11R0.1 CCCC(=CC(=O)CC(C)O)C 1458a_100020676950_100011218427 [0,1,0,0,0,0|2,0,1]=4 664 B11R0.1 CCCC(=CC(=O)NC(C)C)C 11a_100138425928_100020676950 [0,1,0,0,0,0|2,0,1]=4 665 B11R0.1 CCCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020676950 [0,1,0,0,0,0|2,0,1]=4 666 B11R0.1 CCCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020676950 [0,1,0,0,0,0|2,0,1]=4 667 B11R0.1 CCCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747444 [0,1,0,0,0,0|1,0,1]=3 668 B11R0.1 CCCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747444 [0,1,0,0,0,0|1,0,1]=3 669 B11R0.1 CCCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747444 [0,1,0,0,0,0|1,0,1]=3 670 B11R0.1 CCCC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000747444 [0,1,0,0,0,0|2,0,1]=4 671 B11R0.1 CCCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747444 [0,1,0,0,0,0|2,0,1]=4 672 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,0|1,0,0]=2 673 B11R0.1 CCCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747444 [0,1,0,0,0,0|2,0,0]=3 674 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,0|1,0,0]=2 675 B11R0.1 CCCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747444 [0,1,0,0,0,0|2,0,0]=3 676 B11R0.1 CCCC(=O)CC(=O)NC(=O)C 1458a_100000211992_100000183797 [0,1,0,0,0,0|1,0,1]=3 677 B11R0.1 CCCC(=O)CC(=O)NC(=O)N 1458a_100000211992_100000182717 [0,1,0,0,0,0|2,0,1]=4 678 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,0,0|1,0,0]=2 679 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,0,0|0,0,0]=1 680 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,1,0,0,0,0|3,0,0]=4 681 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,1,0,0,0,0|3,0,0]=4 682 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,1,0,0,0,0|3,0,0]=4 683 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,1,0,0,0,0|3,0,0]=4 684 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,0,0,0,0|2,0,1]=4 685 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,0,0,0,0|2,0,1]=4 686 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,0,0,0,0|2,0,1]=4 687 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,0,0,0,0|2,0,1]=4 688 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 689 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 690 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 691 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,1,0,0,0,0|2,0,1]=4 692 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210303 [0,1,0,0,0,0|3,0,0]=4 693 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000747261_100000183996 [0,1,0,0,0,0|3,0,0]=4 694 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210303 [0,1,0,0,0,0|3,0,0]=4 695 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000747261_100000183996 [0,1,0,0,0,0|3,0,0]=4 696 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,1,0,0,0,0|2,0,0]=3 697 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,1,0,0,0,0|2,0,0]=3 698 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,0|2,0,0]=3 699 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,1,0,0,0,0|2,0,0]=3 700 B11R0.1 CCCS(=O)CC(=O)CC(F)F 1458a_100011387404_100011934356 [0,1,0,0,0,0|3,0,0]=4 701 B11R0.1 CCCS(=O)CC(=O)NC(C)C 11a_100138425928_100011387404 [0,1,0,0,0,0|2,0,0]=3 702 B11R0.1 CCCS(=O)CC(=O)NC(C)C 1626a_100138425928_100011387404 [0,1,0,0,0,0|2,0,0]=3 703 B11R0.1 CCCS(=O)CC(=O)NC(C)C 240690a_100138425928_100011387404 [0,1,0,0,0,0|2,0,0]=3 704 B11R0.1 CCCS(=O)CC(=O)NC(C)C 527a_100138425928_100011387404 [0,1,0,0,0,0|2,0,0]=3 705 B11R0.1 CCNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183381 [0,1,0,0,0,0|1,0,2]=4 706 B11R0.1 CCNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000183381 [0,1,0,0,0,0|1,0,2]=4 707 B11R0.1 CCNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000183381 [0,1,0,0,0,0|1,0,2]=4 708 B11R0.1 CCNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000183381 [0,1,0,0,0,0|2,0,1]=4 709 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,0,0|1,0,0]=2 710 B11R0.1 CCNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183381 [0,1,0,0,0,0|2,0,0]=3 711 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,1,0,0,0,0|1,0,0]=2 712 B11R0.1 CCNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183381 [0,1,0,0,0,0|2,0,0]=3 713 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000741943_100000210760 [0,1,0,0,0,0|3,0,0]=4 714 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183381 [0,1,0,0,0,0|3,0,0]=4 715 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000741943_100000210624 [0,1,0,0,0,0|3,0,0]=4 716 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183381 [0,1,0,0,0,0|3,0,0]=4 717 B11R0.1 CCNC(=O)CN(C)CC(C)C 270004a_100000741943_100000210432 [0,1,0,0,0,0|3,0,0]=4 718 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183381 [0,1,0,0,0,0|3,0,0]=4 719 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000741943_100011218427 [0,1,0,0,0,0|3,0,0]=4 720 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183381 [0,1,0,0,0,0|3,0,0]=4 721 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000741943_100011218427 [0,1,0,0,0,0|3,0,0]=4 722 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 2230a_100000741943_100009817552 [0,1,0,0,0,0|3,0,0]=4 723 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 269982a_100000741943_100009817552 [0,1,0,0,0,0|3,0,0]=4 724 B11R0.1 CCNC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000183762 [0,1,0,0,0,0|2,0,1]=4 725 B11R0.1 CCNC(=O)NC(=O)CN(C)C 2230a_100102631434_100000183762 [0,1,0,0,0,0|3,0,0]=4 726 B11R0.1 CCNC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183762 [0,1,0,0,0,0|3,0,0]=4 727 B11R0.1 CCOC(=O)C=C(C)CN(C)C 2230a_100102631434_100135422193 [0,1,0,0,0,0|2,0,1]=4 728 B11R0.1 CCOC(=O)C=C(C)CN(C)C 269982a_100102631434_100135422193 [0,1,0,0,0,0|2,0,1]=4 729 B11R0.1 CCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000188475 [0,1,0,0,0,0|0,0,2]=3 730 B11R0.1 CCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000188475 [0,1,0,0,0,0|0,0,2]=3 731 B11R0.1 CCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000188475 [0,1,0,0,0,0|0,0,2]=3 732 B11R0.1 CCOC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000188475 [0,1,0,0,0,0|1,0,2]=4 733 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100000243816_100000187820 [0,1,0,0,0,0|1,0,1]=3 734 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000188475 [0,1,0,0,0,0|1,0,1]=3 735 B11R0.1 CCOC(=O)CC(=O)CC(=O)[O-] 1458a_100000243816_100020667443 [0,1,0,0,0,0|1,0,1]=3 736 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,0|0,0,0]=1 737 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,0|0,0,0]=1 738 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,1,0,0,0,0|0,0,0]=1 739 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,1,0,0,0,0|1,0,0]=2 740 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,1,0,0,0,0|1,0,0]=2 741 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,1,0,0,0,0|1,0,0]=2 742 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,1,0,0,0,0|0,0,0]=1 743 B11R0.1 CCOC(=O)CC(=O)C[N+](=O)[O-] 1458a_100000243816_100000761209 [0,1,0,0,0,0|2,0,0]=3 744 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,1,0,0,0,0|1,0,0]=2 745 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,1,0,0,0,0|1,0,0]=2 746 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,1,0,0,0,0|2,0,1]=4 747 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,1,0,0,0,0|2,0,1]=4 748 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,1,0,0,0,0|2,0,1]=4 749 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,1,0,0,0,0|2,0,0]=3 750 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,1,0,0,0,0|2,0,0]=3 751 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,1,0,0,0,0|2,0,0]=3 752 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,1,0,0,0,0|2,0,0]=3 753 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,1,0,0,0,0|2,0,0]=3 754 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,1,0,0,0,0|2,0,0]=3 755 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,1,0,0,0,0|2,0,0]=3 756 B11R0.1 CCOC(=O)CN(C)CC(F)F 2230a_100000220588_100011934356 [0,1,0,0,0,0|3,0,0]=4 757 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,1,0,0,0,0|2,0,0]=3 758 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,1,0,0,0,0|2,0,1]=4 759 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,1,0,0,0,0|1,0,2]=4 760 B11R0.1 CCOC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010344 [0,1,0,0,0,0|1,0,1]=3 761 B11R0.1 CCOC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010344 [0,1,0,0,0,0|2,0,0]=3 762 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,1,0,0,0,0|1,1,1]=4 763 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,1,0,0,0,0|1,1,1]=4 764 B11R0.1 CN(C)CC(=O)CC(=O)NCO 1458a_100000750896_100000185155 [0,1,0,0,0,0|3,0,0]=4 765 B11R0.1 COCC(=O)CC(=O)NC(=O)C 1458a_100000210968_100000183797 [0,1,0,0,0,0|2,0,1]=4 766 B11R0.1 COCC(=O)CC(=O)NC(C)C 1458a_100000210968_100000183996 [0,1,0,0,0,0|2,0,0]=3 767 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,1,0,0,0,0|1,0,0]=2 768 B11R0.1 CSCC(=O)CC(=O)NC(=O)C 1458a_100000184570_100000183797 [0,1,0,0,0,0|2,0,1]=4 769 B11R0.1 CSCC(=O)CC(=O)NC(C)C 1458a_100000184570_100000183996 [0,1,0,0,0,0|2,0,0]=3 770 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,1,0,0,0,0|1,0,0]=2 771 B11R0.1 C[C@@H](O)CC(=O)CC(=O)NCO 1458a_100011933948_100000185155 [0,1,0,0,0,0|2,0,0]=3 772 B11R0.1 C[S+](C)CC(=O)CC(=O)NCO 1458a_200159257847_100000185155 [0,1,0,0,0,0|3,0,0]=4 773 B11R0.5 C#CCC(=O)CC(=C)OCOC 1458a_100011220946_100000042856 [0,1,0,0,0,0|1,0,2]=4 774 B11R0.5 C#CCC(=O)CC(=O)NCCC 1458a_100011220946_100000183358 [0,1,0,0,0,0|1,0,2]=4 775 B11R0.5 C#CCC(=O)CC(=O)OCC=C 1458a_100011220946_100000033060 [0,1,0,0,0,0|0,0,3]=4 776 B11R0.5 C#CCC(=O)CC(=O)OCCC 1458a_100011220946_200011215008 [0,1,0,0,0,0|0,0,2]=3 777 B11R0.5 C#CCCC(=O)CC(=C)CCC 1458a_100000138376_100000753159 [0,1,0,0,0,0|2,0,1]=4 778 B11R0.5 C#CCCC(=O)CC(=O)CCC 1458a_100000692101_100000747444 [0,1,0,0,0,0|1,0,1]=3 779 B11R0.5 C#CCCC(=O)CC(=O)NCC 1458a_100000692101_100000183381 [0,1,0,0,0,0|1,0,1]=3 780 B11R0.5 C#CCCC(=O)CC(=O)NCO 1458a_100000692101_100000185155 [0,1,0,0,0,0|2,0,1]=4 781 B11R0.5 C#CCCC(=O)CC(=O)OC=C 1458a_100000692101_100000036128 [0,1,0,0,0,0|0,0,3]=4 782 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,1,0,0,0,0|0,0,1]=2 783 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,1,0,0,0,0|0,0,1]=2 784 B11R0.5 C#CCCC(=O)CS(=O)CCC 1458a_100011387404_100000753159 [0,1,0,0,0,0|2,0,1]=4 785 B11R0.5 C#CCCN(C)CC(=O)OCC 2230a_100000220588_100000688953 [0,1,0,0,0,0|2,0,1]=4 786 B11R0.5 C#CCNC(=O)CC(=C)CCC 11a_100000212058_100000138376 [0,1,0,0,0,0|2,0,1]=4 787 B11R0.5 C#CCNC(=O)CC(=C)CCC 240690a_100000212058_100000138376 [0,1,0,0,0,0|2,0,1]=4 788 B11R0.5 C#CCNC(=O)CC(=C)CCC 527a_100000212058_100000138376 [0,1,0,0,0,0|2,0,1]=4 789 B11R0.5 C#CCNC(=O)CC(=O)OCC 240690a_100000212058_100000243816 [0,1,0,0,0,0|0,0,2]=3 790 B11R0.5 C#CCNC(=O)CS(=O)CCC 11a_100000212058_100011387404 [0,1,0,0,0,0|2,0,1]=4 791 B11R0.5 C#CCNC(=O)CS(=O)CCC 1626a_100000212058_100011387404 [0,1,0,0,0,0|2,0,1]=4 792 B11R0.5 C#CCNC(=O)CS(=O)CCC 240690a_100000212058_100011387404 [0,1,0,0,0,0|2,0,1]=4 793 B11R0.5 C#CCNC(=O)CS(=O)CCC 527a_100000212058_100011387404 [0,1,0,0,0,0|2,0,1]=4 794 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,1,0,0,0,0|0,0,1]=2 795 B11R0.5 C/C=C/CC(=O)CS(=O)CCC 1458a_100011387404_100102629194 [0,1,0,0,0,0|2,0,1]=4 796 B11R0.5 C=C(CC(=O)C#CC)OCOC 1458a_100000763181_100000042856 [0,1,0,0,0,0|1,0,2]=4 797 B11R0.5 C=C(CC(=O)C=CC)OCOC 1458a_100000210699_100000042856 [0,1,0,0,0,0|1,0,2]=4 798 B11R0.5 C=C(CC(=O)CC#N)OCOC 1458a_100051588842_100000042856 [0,1,0,0,0,0|2,0,1]=4 799 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [0,1,0,0,0,0|1,0,0]=2 800 B11R0.5 C=C(CC(=O)CCO)OCOC 1458a_100011216618_100000042856 [0,1,0,0,0,0|2,0,0]=3 801 B11R0.5 C=C(CC(=O)COC)OCOC 1458a_100000210968_100000042856 [0,1,0,0,0,0|2,0,0]=3 802 B11R0.5 C=C(CC(=O)CSC)OCOC 1458a_100000184570_100000042856 [0,1,0,0,0,0|2,0,0]=3 803 B11R0.5 C=C(CCC)CC(=O)C/C=C/C 1458a_100000138376_100102629194 [0,1,0,0,0,0|2,0,1]=4 804 B11R0.5 C=C(CCC)CC(=O)CC#CC 1458a_100000138376_100000748600 [0,1,0,0,0,0|2,0,1]=4 805 B11R0.5 C=C(CCC)CC(=O)CC=CC 1458a_100000138376_100000070051 [0,1,0,0,0,0|2,0,1]=4 806 B11R0.5 C=C(CCC)CC(=O)CCC#N 1458a_100000138376_100011215226 [0,1,0,0,0,0|2,0,1]=4 807 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,0|2,0,0]=3 808 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,1,0,0,0,0|2,0,0]=3 809 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,1,0,0,0,0|2,0,0]=3 810 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,1,0,0,0,0|2,0,0]=3 811 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,1,0,0,0,0|2,0,0]=3 812 B11R0.5 C=C(CCC)CC(=O)NCC#N 527a_100000734998_100000138376 [0,1,0,0,0,0|2,0,1]=4 813 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,1,0,0,0,0|2,0,0]=3 814 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,1,0,0,0,0|2,0,0]=3 815 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,1,0,0,0,0|2,0,0]=3 816 B11R0.5 C=C(CCC)CC(=O)NCCF 11a_100000724931_100000138376 [0,1,0,0,0,0|2,0,0]=3 817 B11R0.5 C=C(CCC)CC(=O)NCCF 240690a_100000724931_100000138376 [0,1,0,0,0,0|2,0,0]=3 818 B11R0.5 C=C(CCC)CC(=O)NCCF 527a_100000724931_100000138376 [0,1,0,0,0,0|2,0,0]=3 819 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,1,0,0,0,0|2,0,0]=3 820 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,1,0,0,0,0|2,0,0]=3 821 B11R0.5 C=C(CCC)CC(=O)NNCC 22a_100000756455_100000138376 [0,1,0,0,0,0|2,0,0]=3 822 B11R0.5 C=C(CN(C)CCC)OCOC 269982a_100000747261_100000042856 [0,1,0,0,0,0|3,0,0]=4 823 B11R0.5 C=CC=CC(=O)CC(=O)CCC 1458a_100016291481_100000747444 [0,1,0,0,0,0|1,0,2]=4 824 B11R0.5 C=CC=CC(=O)CC(=O)OCC 1458a_100016291481_100000188475 [0,1,0,0,0,0|0,0,3]=4 825 B11R0.5 C=CCC(=O)CC(=C)OCOC 1458a_100000210193_100000042856 [0,1,0,0,0,0|1,0,2]=4 826 B11R0.5 C=CCC(=O)CC(=O)NCCC 1458a_100000210193_100000183358 [0,1,0,0,0,0|1,0,2]=4 827 B11R0.5 C=CCC(=O)CC(=O)OCCC 1458a_100000210193_200011215008 [0,1,0,0,0,0|0,0,2]=3 828 B11R0.5 C=CCCC(=O)CC(=C)CCC 1458a_100000138376_100000754431 [0,1,0,0,0,0|2,0,1]=4 829 B11R0.5 C=CCCC(=O)CC(=O)CCC 1458a_100000749702_100000747444 [0,1,0,0,0,0|1,0,1]=3 830 B11R0.5 C=CCCC(=O)CC(=O)NCC 1458a_100000749702_100000183381 [0,1,0,0,0,0|1,0,1]=3 831 B11R0.5 C=CCCC(=O)CC(=O)NCO 1458a_100000749702_100000185155 [0,1,0,0,0,0|2,0,1]=4 832 B11R0.5 C=CCCC(=O)CC(=O)OC=C 1458a_100000749702_100000036128 [0,1,0,0,0,0|0,0,3]=4 833 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,1,0,0,0,0|0,0,1]=2 834 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,1,0,0,0,0|0,0,1]=2 835 B11R0.5 C=CCCC(=O)CS(=O)CCC 1458a_100011387404_100000754431 [0,1,0,0,0,0|2,0,1]=4 836 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100000220588_100000754431 [0,1,0,0,0,0|2,0,1]=4 837 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100020639649_100000188475 [0,1,0,0,0,0|2,0,1]=4 838 B11R0.5 C=CCCN(C)CC(=O)OCC 269982a_100020639649_100000188475 [0,1,0,0,0,0|2,0,1]=4 839 B11R0.5 C=CCNC(=O)CC(=C)CCC 240690a_100020586998_100000138376 [0,1,0,0,0,0|2,0,1]=4 840 B11R0.5 C=CCNC(=O)CC(=C)CCC 527a_100020586998_100000138376 [0,1,0,0,0,0|2,0,1]=4 841 B11R0.5 C=CCNC(=O)CC(=O)CCC 1458a_100000211992_100000183597 [0,1,0,0,0,0|1,0,1]=3 842 B11R0.5 C=CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183597 [0,1,0,0,0,0|2,0,1]=4 843 B11R0.5 C=CCNC(=O)CC(=O)COC 1458a_100000210968_100000183597 [0,1,0,0,0,0|2,0,1]=4 844 B11R0.5 C=CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183597 [0,1,0,0,0,0|2,0,1]=4 845 B11R0.5 C=CCNC(=O)CC(=O)OCC 240690a_100020586998_100000243816 [0,1,0,0,0,0|0,0,2]=3 846 B11R0.5 C=CCNC(=O)CS(=O)CCC 1626a_100020586998_100011387404 [0,1,0,0,0,0|2,0,1]=4 847 B11R0.5 C=CCNC(=O)CS(=O)CCC 240690a_100020586998_100011387404 [0,1,0,0,0,0|2,0,1]=4 848 B11R0.5 C=CCNC(=O)CS(=O)CCC 527a_100020586998_100011387404 [0,1,0,0,0,0|2,0,1]=4 849 B11R0.5 C=CCOC(=O)CC(=O)C#CC 1458a_100000763181_100000033060 [0,1,0,0,0,0|0,0,3]=4 850 B11R0.5 C=CCOC(=O)CC(=O)C=CC 1458a_100000210699_100000033060 [0,1,0,0,0,0|0,0,3]=4 851 B11R0.5 C=CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000033060 [0,1,0,0,0,0|1,0,2]=4 852 B11R0.5 C=CCOC(=O)CC(=O)CC=C 1458a_100000210193_100000033060 [0,1,0,0,0,0|0,0,3]=4 853 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,1,0,0,0,0|0,0,1]=2 854 B11R0.5 C=CCOC(=O)CC(=O)CCO 1458a_100011216618_100000033060 [0,1,0,0,0,0|1,0,1]=3 855 B11R0.5 C=CCOC(=O)CC(=O)COC 1458a_100000210968_100000033060 [0,1,0,0,0,0|1,0,1]=3 856 B11R0.5 C=CCOC(=O)CC(=O)CSC 1458a_100000184570_100000033060 [0,1,0,0,0,0|1,0,1]=3 857 B11R0.5 C=CCOC(=O)CN(C)CCC 2230a_100000747261_100000033060 [0,1,0,0,0,0|2,0,1]=4 858 B11R0.5 C=CCOC(=O)CN(C)CCC 269982a_100000747261_100000033060 [0,1,0,0,0,0|2,0,1]=4 859 B11R0.5 C=COC(=O)CC(=O)C#CCC 1458a_100011827653_100000036128 [0,1,0,0,0,0|0,0,3]=4 860 B11R0.5 C=COC(=O)CC(=O)C=CCC 1458a_100000212282_100000036128 [0,1,0,0,0,0|0,0,3]=4 861 B11R0.5 C=COC(=O)CC(=O)CC=CC 1458a_100121576822_100000036128 [0,1,0,0,0,0|0,0,3]=4 862 B11R0.5 C=COC(=O)CC(=O)CCC#N 1458a_100011934036_100000036128 [0,1,0,0,0,0|0,0,3]=4 863 B11R0.5 C=COC(=O)CC(=O)CCCC 1458a_100000210183_100000036128 [0,1,0,0,0,0|0,0,2]=3 864 B11R0.5 C=COC(=O)CC(=O)CCOC 1458a_100000749529_100000036128 [0,1,0,0,0,0|0,0,2]=3 865 B11R0.5 C=COC(=O)CC(=O)CCSC 1458a_100000174002_100000036128 [0,1,0,0,0,0|0,0,2]=3 866 B11R0.5 C=COC(=O)CC(=O)COCC 1458a_100000211967_100000036128 [0,1,0,0,0,0|0,0,2]=3 867 B11R0.5 C=COC(=O)CC(=O)CSCC 1458a_100000230394_100000036128 [0,1,0,0,0,0|0,0,2]=3 868 B11R0.5 CC#CC(=O)CC(=O)NCCC 1458a_100000763181_100000183358 [0,1,0,0,0,0|1,0,1]=3 869 B11R0.5 CC#CC(=O)CC(=O)OCCC 1458a_100000763181_200011215008 [0,1,0,0,0,0|0,0,2]=3 870 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,1,0,0,0,0|0,0,1]=2 871 B11R0.5 CC#CCC(=O)CS(=O)CCC 1458a_100011387404_100000748600 [0,1,0,0,0,0|2,0,1]=4 872 B11R0.5 CC#CCN(C)CC(=O)OCC 2230a_100000220588_100000748600 [0,1,0,0,0,0|2,0,1]=4 873 B11R0.5 CC=CC(=O)CC(=O)NCCC 1458a_100000210699_100000183358 [0,1,0,0,0,0|1,0,1]=3 874 B11R0.5 CC=CC(=O)CC(=O)OCCC 1458a_100000210699_200011215008 [0,1,0,0,0,0|0,0,2]=3 875 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [0,1,0,0,0,0|1,0,1]=3 876 B11R0.5 CC=CCC(=O)CC(=O)NCC 1458a_100121576822_100000183381 [0,1,0,0,0,0|1,0,1]=3 877 B11R0.5 CC=CCC(=O)CC(=O)NCO 1458a_100121576822_100000185155 [0,1,0,0,0,0|2,0,1]=4 878 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,1,0,0,0,0|0,0,1]=2 879 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,1,0,0,0,0|0,0,1]=2 880 B11R0.5 CC=CCC(=O)CS(=O)CCC 1458a_100011387404_100000070051 [0,1,0,0,0,0|2,0,1]=4 881 B11R0.5 CC=CCN(C)CC(=O)OCC 2230a_100000220588_100000070051 [0,1,0,0,0,0|2,0,1]=4 882 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [0,1,0,0,0,0|1,0,0]=2 883 B11R0.5 CCC#CC(=O)CC(=O)NCC 1458a_100011827653_100000183381 [0,1,0,0,0,0|1,0,1]=3 884 B11R0.5 CCC#CC(=O)CC(=O)NCO 1458a_100011827653_100000185155 [0,1,0,0,0,0|2,0,1]=4 885 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,1,0,0,0,0|0,0,1]=2 886 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [0,1,0,0,0,0|2,0,1]=4 887 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,1,0,0,0,0|1,0,0]=2 888 B11R0.5 CCC=CC(=O)CC(=O)NCC 1458a_100000212282_100000183381 [0,1,0,0,0,0|1,0,1]=3 889 B11R0.5 CCC=CC(=O)CC(=O)NCO 1458a_100000212282_100000185155 [0,1,0,0,0,0|2,0,1]=4 890 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,1,0,0,0,0|0,0,1]=2 891 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,1,0,0,0,0|2,0,1]=4 892 B11R0.5 CCCC(=CC(=O)CCCF)C 1458a_100020676950_100011934791 [0,1,0,0,0,0|2,0,1]=4 893 B11R0.5 CCCC(=CC(=O)CCCO)C 1458a_100020676950_100011215043 [0,1,0,0,0,0|2,0,1]=4 894 B11R0.5 CCCC(=CC(=O)CCOC)C 1458a_100020676950_100000233755 [0,1,0,0,0,0|2,0,1]=4 895 B11R0.5 CCCC(=CC(=O)CCSC)C 1458a_100020676950_100000751147 [0,1,0,0,0,0|2,0,1]=4 896 B11R0.5 CCCC(=CC(=O)NCCF)C 11a_100000724931_100020676950 [0,1,0,0,0,0|2,0,1]=4 897 B11R0.5 CCCC(=CC(=O)NCCF)C 1626a_100000724931_100020676950 [0,1,0,0,0,0|2,0,1]=4 898 B11R0.5 CCCC(=CC(=O)NCCF)C 240690a_100000724931_100020676950 [0,1,0,0,0,0|2,0,1]=4 899 B11R0.5 CCCC(=CC(=O)NCCO)C 240690a_100000210304_100020676950 [0,1,0,0,0,0|2,0,1]=4 900 B11R0.5 CCCC(=CC(=O)NNCC)C 22a_100000756455_100020676950 [0,1,0,0,0,0|2,0,1]=4 901 B11R0.5 CCCC(=O)CC(=O)C#CCO 1458a_100000049017_100000747444 [0,1,0,0,0,0|1,0,1]=3 902 B11R0.5 CCCC(=O)CC(=O)C=COC 1458a_100016268678_100000747444 [0,1,0,0,0,0|1,0,1]=3 903 B11R0.5 CCCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747444 [0,1,0,0,0,0|1,0,1]=3 904 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,0|1,0,0]=2 905 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,0|1,0,0]=2 906 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,0|0,0,0]=1 907 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,0|0,1,0]=2 908 B11R0.5 CCCC(=O)CC(=O)NCC#N 1458a_100000211992_100000736037 [0,1,0,0,0,0|1,0,1]=3 909 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 910 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 911 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 912 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 913 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 914 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 915 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,1,0,0,0,0|2,0,1]=4 916 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,1,0,0,0,0|2,0,1]=4 917 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,1,0,0,0,0|2,0,1]=4 918 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,1,0,0,0,0|2,0,1]=4 919 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,1,0,0,0,0|2,0,1]=4 920 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,1,0,0,0,0|2,0,1]=4 921 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,1,0,0,0,0|1,0,1]=3 922 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,1,0,0,0,0|1,1,1]=4 923 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 924 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 925 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 926 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 927 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,1,0,0,0,0|2,0,1]=4 928 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,1,0,0,0,0|2,0,1]=4 929 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [0,1,0,0,0,0|2,0,1]=4 930 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [0,1,0,0,0,0|2,0,1]=4 931 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [0,1,0,0,0,0|2,0,1]=4 932 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [0,1,0,0,0,0|2,0,1]=4 933 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [0,1,0,0,0,0|2,0,1]=4 934 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [0,1,0,0,0,0|2,0,1]=4 935 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,0|1,0,0]=2 936 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,1,0,0,0,0|1,0,0]=2 937 B11R0.5 CCCCC(=O)CC(=O)NCO 1458a_100000210183_100000185155 [0,1,0,0,0,0|2,0,0]=3 938 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,1,0,0,0,0|0,0,0]=1 939 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,1,0,0,0,0|0,0,0]=1 940 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,1,0,0,0,0|2,0,1]=4 941 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,1,0,0,0,0|2,0,1]=4 942 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [0,1,0,0,0,0|1,1,1]=4 943 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,0|2,0,0]=3 944 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,1,0,0,0,0|3,0,0]=4 945 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,1,0,0,0,0|3,0,0]=4 946 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [0,1,0,0,0,0|3,0,0]=4 947 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [0,1,0,0,0,0|3,0,0]=4 948 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [0,1,0,0,0,0|3,0,0]=4 949 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [0,1,0,0,0,0|3,0,0]=4 950 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,1,0,0,0,0|2,0,0]=3 951 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,1,0,0,0,0|2,0,0]=3 952 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,1,0,0,0,0|2,0,0]=3 953 B11R0.5 CCCNC(=O)C=C(C)CCC 11a_100020643023_100020676950 [0,1,0,0,0,0|2,0,1]=4 954 B11R0.5 CCCNC(=O)C=C(C)CCC 1626a_100020643023_100020676950 [0,1,0,0,0,0|2,0,1]=4 955 B11R0.5 CCCNC(=O)C=C(C)CCC 240690a_100020643023_100020676950 [0,1,0,0,0,0|2,0,1]=4 956 B11R0.5 CCCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183358 [0,1,0,0,0,0|2,0,1]=4 957 B11R0.5 CCCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183358 [0,1,0,0,0,0|2,0,1]=4 958 B11R0.5 CCCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183358 [0,1,0,0,0,0|2,0,1]=4 959 B11R0.5 CCCNC(=O)CC(=O)CC#N 1458a_100051588842_100000183358 [0,1,0,0,0,0|2,0,1]=4 960 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,0|1,0,0]=2 961 B11R0.5 CCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183358 [0,1,0,0,0,0|2,0,0]=3 962 B11R0.5 CCCNC(=O)CC(=O)COC 1458a_100000210968_100000183358 [0,1,0,0,0,0|2,0,0]=3 963 B11R0.5 CCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183358 [0,1,0,0,0,0|2,0,0]=3 964 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,1,0,0,0,0|0,0,0]=1 965 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,1,0,0,0,0|2,0,1]=4 966 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,1,0,0,0,0|2,0,1]=4 967 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,1,0,0,0,0|2,0,1]=4 968 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,1,0,0,0,0|2,0,1]=4 969 B11R0.5 CCCNC(=O)CC(C)SCC 11a_100020643023_200011311441 [0,1,0,0,0,0|1,1,1]=4 970 B11R0.5 CCCNC(=O)CC(C)SCC 1626a_100020643023_200011311441 [0,1,0,0,0,0|1,1,1]=4 971 B11R0.5 CCCNC(=O)CC(C)SCC 240690a_100020643023_200011311441 [0,1,0,0,0,0|1,1,1]=4 972 B11R0.5 CCCNC(=O)CC(C)SCC 527a_100020643023_200011311441 [0,1,0,0,0,0|1,1,1]=4 973 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [0,1,0,0,0,0|3,0,0]=4 974 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [0,1,0,0,0,0|3,0,0]=4 975 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [0,1,0,0,0,0|3,0,0]=4 976 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [0,1,0,0,0,0|3,0,0]=4 977 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 978 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 979 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 980 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 981 B11R0.5 CCCNC(=O)NC(=O)CNC 2230a_106832991635_100000184120 [0,1,0,0,0,0|3,0,0]=4 982 B11R0.5 CCCNC(=O)NC(=O)CNC 7a_106832991635_100000184120 [0,1,0,0,0,0|3,0,0]=4 983 B11R0.5 CCCNC(=O)NC(=O)CSC 62a_200000210301_100000184120 [0,1,0,0,0,0|3,0,0]=4 984 B11R0.5 CCCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000184120 [0,1,0,0,0,0|3,0,0]=4 985 B11R0.5 CCCOC(=O)CC(=O)C=CBr 1458a_100016273825_200011215008 [0,1,0,0,0,0|1,0,2]=4 986 B11R0.5 CCCOC(=O)CC(=O)C=CCl 1458a_200016279998_200011215008 [0,1,0,0,0,0|1,0,2]=4 987 B11R0.5 CCCOC(=O)CC(=O)C=CI 1458a_100016256311_200011215008 [0,1,0,0,0,0|1,0,2]=4 988 B11R0.5 CCCOC(=O)CC(=O)CC#N 1458a_100051588842_200011215008 [0,1,0,0,0,0|1,0,1]=3 989 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,0|0,0,0]=1 990 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,1,0,0,0,0|1,0,0]=2 991 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,1,0,0,0,0|1,0,0]=2 992 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,1,0,0,0,0|1,0,0]=2 993 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,1,0,0,0,0|2,0,0]=3 994 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,1,0,0,0,0|2,0,0]=3 995 B11R0.5 CCCOC(=O)CN(C)CCO 2230a_100000210263_200011215008 [0,1,0,0,0,0|3,0,0]=4 996 B11R0.5 CCCOC(=O)CN(C)CCO 269982a_100000210263_200011215008 [0,1,0,0,0,0|3,0,0]=4 997 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,1,0,0,0,0|1,0,1]=3 998 B11R0.5 CCCS(=O)CC(=O)CCC#N 1458a_100011387404_100011215226 [0,1,0,0,0,0|2,0,1]=4 999 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [0,1,0,0,0,0|2,0,0]=3 1000 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,1,0,0,0,0|2,0,0]=3 1001 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [0,1,0,0,0,0|2,0,0]=3 1002 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [0,1,0,0,0,0|2,0,0]=3 1003 B11R0.5 CCCS(=O)CC(=O)NCC#N 1626a_100000734998_100011387404 [0,1,0,0,0,0|2,0,1]=4 1004 B11R0.5 CCCS(=O)CC(=O)NCC#N 527a_100000734998_100011387404 [0,1,0,0,0,0|2,0,1]=4 1005 B11R0.5 CCCS(=O)CC(=O)NCCF 11a_100000724931_100011387404 [0,1,0,0,0,0|2,0,0]=3 1006 B11R0.5 CCCS(=O)CC(=O)NCCF 1626a_100000724931_100011387404 [0,1,0,0,0,0|2,0,0]=3 1007 B11R0.5 CCCS(=O)CC(=O)NCCF 240690a_100000724931_100011387404 [0,1,0,0,0,0|2,0,0]=3 1008 B11R0.5 CCCS(=O)CC(=O)NCCF 527a_100000724931_100011387404 [0,1,0,0,0,0|2,0,0]=3 1009 B11R0.5 CCCS(=O)CC(=O)NCCO 240690a_100000210304_100011387404 [0,1,0,0,0,0|2,0,0]=3 1010 B11R0.5 CCCS(=O)CC(=O)NCCO 527a_100000210304_100011387404 [0,1,0,0,0,0|2,0,0]=3 1011 B11R0.5 CCCS(=O)CC(=O)NNCC 22a_100000756455_100011387404 [0,1,0,0,0,0|2,0,0]=3 1012 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,1,0,0,0,0|1,0,1]=3 1013 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,1,0,0,0,0|1,0,1]=3 1014 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,1,0,0,0,0|2,0,1]=4 1015 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,1,0,0,0,0|2,0,1]=4 1016 B11R0.5 CCNC(=O)CC(=O)C#CCO 1458a_100000049017_100000183381 [0,1,0,0,0,0|1,0,2]=4 1017 B11R0.5 CCNC(=O)CC(=O)C=COC 1458a_100016268678_100000183381 [0,1,0,0,0,0|1,0,2]=4 1018 B11R0.5 CCNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183381 [0,1,0,0,0,0|1,0,1]=3 1019 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,1,0,0,0,0|1,0,0]=2 1020 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,1,0,0,0,0|1,0,0]=2 1021 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,1,0,0,0,0|1,0,0]=2 1022 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,1,0,0,0,0|1,0,0]=2 1023 B11R0.5 CCNC(=O)CN(C)CCCF 2230a_100000741943_100011934791 [0,1,0,0,0,0|3,0,0]=4 1024 B11R0.5 CCNC(=O)CN(C)CCCF 269982a_100000741943_100011934791 [0,1,0,0,0,0|3,0,0]=4 1025 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 1026 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,1,0,0,0,0|3,0,0]=4 1027 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 1028 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,1,0,0,0,0|3,0,0]=4 1029 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000741943_100011201679 [0,1,0,0,0,0|3,0,0]=4 1030 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183381 [0,1,0,0,0,0|3,0,0]=4 1031 B11R0.5 CCNC(=O)CN(C)CCOC 240690a_100015525214_100015184299 [0,1,0,0,0,0|3,0,0]=4 1032 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000741943_100000233755 [0,1,0,0,0,0|3,0,0]=4 1033 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183381 [0,1,0,0,0,0|3,0,0]=4 1034 B11R0.5 CCNC(=O)CN(C)CCOC 527a_100015525214_100015184299 [0,1,0,0,0,0|3,0,0]=4 1035 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183381 [0,1,0,0,0,0|3,0,0]=4 1036 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000741943_100000751147 [0,1,0,0,0,0|3,0,0]=4 1037 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183381 [0,1,0,0,0,0|3,0,0]=4 1038 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000741943_100000212216 [0,1,0,0,0,0|3,0,0]=4 1039 B11R0.5 CCNC(=O)CN(C)COCC 269982a_100000741943_100000739092 [0,1,0,0,0,0|3,0,0]=4 1040 B11R0.5 CCNC(=O)NC(=O)CSCC 62a_100000210202_100000183762 [0,1,0,0,0,0|2,0,0]=3 1041 B11R0.5 CCNC(=O)NC(=O)CSCF 62a_100015361967_100000183762 [0,1,0,0,0,0|3,0,0]=4 1042 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,1,0,0,0,0|1,0,1]=3 1043 B11R0.5 CCNCC(=O)NC(=O)NCC 2230a_100015525214_100000183762 [0,1,0,0,0,0|2,0,0]=3 1044 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,1,0,0,0,0|1,0,0]=2 1045 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,1,0,0,0,0|1,0,1]=3 1046 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,1,0,0,0,0|1,0,1]=3 1047 B11R0.5 CCOC(=O)C=C(C)CSCF 62a_100015361967_100135422193 [0,1,0,0,0,0|2,0,1]=4 1048 B11R0.5 CCOC(=O)C=C(C)CSCF 62a_100135422193_100015361967 [0,1,0,0,0,0|2,0,1]=4 1049 B11R0.5 CCOC(=O)CC(=O)C#CCO 1458a_100000049017_100000188475 [0,1,0,0,0,0|0,0,2]=3 1050 B11R0.5 CCOC(=O)CC(=O)C=COC 1458a_100016268678_100000188475 [0,1,0,0,0,0|0,0,2]=3 1051 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,1,0,0,0,0|0,0,1]=2 1052 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,1,0,0,0,0|0,0,1]=2 1053 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,1,0,0,0,0|0,0,0]=1 1054 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,1,0,0,0,0|0,0,0]=1 1055 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,1,0,0,0,0|0,0,0]=1 1056 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,1,0,0,0,0|0,0,0]=1 1057 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,1,0,0,0,0|0,0,0]=1 1058 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,1,0,0,0,0|0,0,0]=1 1059 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,1,0,0,0,0|0,0,0]=1 1060 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,1,0,0,0,0|0,0,0]=1 1061 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,1,0,0,0,0|0,0,0]=1 1062 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,1,0,0,0,0|1,0,0]=2 1063 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,1,0,0,0,0|1,0,0]=2 1064 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,1,0,0,0,0|1,0,0]=2 1065 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,1,0,0,0,0|1,0,0]=2 1066 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,1,0,0,0,0|2,0,1]=4 1067 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,1,0,0,0,0|2,0,1]=4 1068 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,1,0,0,0,0|2,0,1]=4 1069 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,1,0,0,0,0|2,0,1]=4 1070 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,1,0,0,0,0|2,0,1]=4 1071 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,1,0,0,0,0|2,0,1]=4 1072 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,1,0,0,0,0|2,0,1]=4 1073 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,1,0,0,0,0|2,0,1]=4 1074 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,1,0,0,0,0|2,0,1]=4 1075 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000188475 [0,1,0,0,0,0|2,0,1]=4 1076 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000220588_100011215226 [0,1,0,0,0,0|2,0,1]=4 1077 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,1,0,0,0,0|2,0,0]=3 1078 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 1079 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,1,0,0,0,0|2,0,0]=3 1080 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 1081 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,1,0,0,0,0|2,0,0]=3 1082 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,1,0,0,0,0|2,0,0]=3 1083 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,1,0,0,0,0|2,0,0]=3 1084 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,1,0,0,0,0|2,0,0]=3 1085 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,1,0,0,0,0|2,0,0]=3 1086 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,1,0,0,0,0|2,0,0]=3 1087 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,1,0,0,0,0|2,0,1]=4 1088 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,1,0,0,0,0|2,0,1]=4 1089 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,1,0,0,0,0|0,0,2]=3 1090 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,1,0,0,0,0|0,0,2]=3 1091 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,1,0,0,0,0|1,0,2]=4 1092 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,1,0,0,0,0|1,0,2]=4 1093 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [0,1,0,0,0,0|1,0,0]=2 1094 B11R0.5 CCOC(=O)NC(=O)CSCF 62a_100015361967_100000010344 [0,1,0,0,0,0|2,0,0]=3 1095 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,1,0,0,0,0|1,0,1]=3 1096 B11R0.5 CCOCC(=O)CC(=O)NCO 1458a_100000211967_100000185155 [0,1,0,0,0,0|2,0,0]=3 1097 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,1,0,0,0,0|0,0,0]=1 1098 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,1,0,0,0,0|0,0,2]=3 1099 B11R0.5 CCSC(C)CC(=O)CCCF 1458a_200011311441_100011934791 [0,1,0,0,0,0|1,1,1]=4 1100 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,1,0,0,0,0|1,1,1]=4 1101 B11R0.5 CCSC(C)CC(=O)CCOC 1458a_200011311441_100000233755 [0,1,0,0,0,0|1,1,1]=4 1102 B11R0.5 CCSC(C)CC(=O)CCSC 1458a_200011311441_100000751147 [0,1,0,0,0,0|1,1,1]=4 1103 B11R0.5 CCSCC(=O)CC(=O)NCO 1458a_100000230394_100000185155 [0,1,0,0,0,0|2,0,0]=3 1104 B11R0.5 COCC(=O)CC(=O)NCC#N 1458a_100000210968_100000736037 [0,1,0,0,0,0|2,0,1]=4 1105 B11R0.5 COCCC(=O)CC(=O)NCO 1458a_100000749529_100000185155 [0,1,0,0,0,0|2,0,0]=3 1106 B11R0.5 CSCC(=O)CC(=O)NCC#N 1458a_100000184570_100000736037 [0,1,0,0,0,0|2,0,1]=4 1107 B11R0.5 CSCCC(=O)CC(=O)NCO 1458a_100000174002_100000185155 [0,1,0,0,0,0|2,0,0]=3 1108 B11R0.5 N#CCCC(=O)CC(=O)NCO 1458a_100011934036_100000185155 [0,1,0,0,0,0|2,0,1]=4 1109 B11R0.5 N#CCNC(=O)CC(=O)CCO 1458a_100011216618_100000736037 [0,1,0,0,0,0|2,0,1]=4 1110 B11R0.177 C#CCC(=O)C(C)C(=O)NCC 1458a_100011220946_100000230173 [0,1,0,0,0,0|1,0,2]=4 1111 B11R0.177 C#CCC(=O)C(C)C(=O)OCC 1458a_100011220946_100011216346 [0,1,0,0,0,0|0,0,2]=3 1112 B11R0.177 C#CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000184674 [0,1,0,0,0,0|0,0,2]=3 1113 B11R0.177 C#CCC(=O)C(F)C(=O)OCC 1458a_100011220946_100000760018 [0,1,0,0,0,0|0,0,2]=3 1114 B11R0.177 C=CCC(=O)C(C)C(=O)NCC 1458a_100000210193_100000230173 [0,1,0,0,0,0|1,0,2]=4 1115 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100000210193_100011216346 [0,1,0,0,0,0|0,0,2]=3 1116 B11R0.177 C=CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210623 [0,1,0,0,0,0|0,0,2]=3 1117 B11R0.177 C=CCC(=O)C(F)C(=O)OCC 1458a_100000210193_100000760018 [0,1,0,0,0,0|0,0,2]=3 1118 B11R0.177 CC#CC(=O)C(C)C(=O)NCC 1458a_100000763181_100000230173 [0,1,0,0,0,0|1,0,2]=4 1119 B11R0.177 CC#CC(=O)C(C)C(=O)OCC 1458a_100000763181_100011216346 [0,1,0,0,0,0|0,0,2]=3 1120 B11R0.177 CC#CC(=O)C(F)C(=O)OCC 1458a_100000763181_100000760018 [0,1,0,0,0,0|0,0,2]=3 1121 B11R0.177 CC=CC(=O)C(C)C(=O)NCC 1458a_100000210699_100000230173 [0,1,0,0,0,0|1,0,2]=4 1122 B11R0.177 CC=CC(=O)C(C)C(=O)OCC 1458a_100000210699_100011216346 [0,1,0,0,0,0|0,0,2]=3 1123 B11R0.177 CC=CC(=O)C(F)C(=O)OCC 1458a_100000210699_100000760018 [0,1,0,0,0,0|0,0,2]=3 1124 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,1,0,0,0,0|1,0,0]=2 1125 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,1,0,0,0,0|0,0,0]=1 1126 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,1,0,0,0,0|0,0,0]=1 1127 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,1,0,0,0,0|0,0,0]=1 1128 B11R0.177 CCCN(C)C(=O)C(=O)OCC 11a_100000747261_100014798877 [0,1,0,0,0,0|2,0,1]=4 1129 B11R0.177 CCCN(C)C(=O)C(=O)OCC 1626a_100000747261_100014798877 [0,1,0,0,0,0|2,0,1]=4 1130 B11R0.177 CCCN(C)C(=O)C(=O)OCC 240690a_100000747261_100014798877 [0,1,0,0,0,0|2,0,1]=4 1131 B11R0.177 CCCN(C)C(C)C(=O)NCC 2230a_100000747261_100000230173 [0,1,0,0,0,0|3,0,0]=4 1132 B11R0.177 CCCN(C)C(C)C(=O)NCC 269982a_100000747261_100000230173 [0,1,0,0,0,0|3,0,0]=4 1133 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [0,1,0,0,0,0|2,0,0]=3 1134 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [0,1,0,0,0,0|2,0,0]=3 1135 B11R0.177 CCCN(C)C(F)C(=O)OCC 2230a_100000747261_100000760018 [0,1,0,0,0,0|2,0,0]=3 1136 B11R0.177 CCCN(C)C(F)C(=O)OCC 269982a_100000747261_100000760018 [0,1,0,0,0,0|2,0,0]=3 1137 B11R0.177 CCNC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000230173 [0,1,0,0,0,0|2,0,1]=4 1138 B11R0.177 CCNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000230173 [0,1,0,0,0,0|2,0,0]=3 1139 B11R0.177 CCNC(=O)C(C)C(=O)COC 1458a_100000210968_100000230173 [0,1,0,0,0,0|2,0,0]=3 1140 B11R0.177 CCNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000230173 [0,1,0,0,0,0|2,0,0]=3 1141 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,1,0,0,0,0|1,0,0]=2 1142 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,1,0,0,0,0|1,0,0]=2 1143 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,1,0,0,0,0|1,0,0]=2 1144 B11R0.177 CCOC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100011216346 [0,1,0,0,0,0|1,0,2]=4 1145 B11R0.177 CCOC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100011216346 [0,1,0,0,0,0|1,0,2]=4 1146 B11R0.177 CCOC(=O)C(C)C(=O)C=CI 1458a_100016256311_100011216346 [0,1,0,0,0,0|1,0,2]=4 1147 B11R0.177 CCOC(=O)C(C)C(=O)CC#N 1458a_100051588842_100011216346 [0,1,0,0,0,0|1,0,1]=3 1148 B11R0.177 CCOC(=O)C(C)C(=O)CC#N 1458a_100132301724_100011214920 [0,1,0,0,0,0|1,0,1]=3 1149 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,1,0,0,0,0|1,0,0]=2 1150 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,1,0,0,0,0|1,0,0]=2 1151 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,1,0,0,0,0|1,0,0]=2 1152 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,1,0,0,0,0|1,0,0]=2 1153 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,1,0,0,0,0|1,0,0]=2 1154 B11R0.177 CCOC(=O)C(C)C(=O)NNC 22a_100016993582_100132301724 [0,1,0,0,0,0|2,0,0]=3 1155 B11R0.177 CCOC(=O)C(C)N(C)CCO 2230a_100000210263_100011215307 [0,1,0,0,0,0|3,0,0]=4 1156 B11R0.177 CCOC(=O)C(C)N(C)CCO 269982a_100000210263_100011216346 [0,1,0,0,0,0|3,0,0]=4 1157 B11R0.177 CCOC(=O)C(F)C(=O)C=CBr 1458a_100016273825_100000760018 [0,1,0,0,0,0|1,0,2]=4 1158 B11R0.177 CCOC(=O)C(F)C(=O)C=CCl 1458a_200016279998_100000760018 [0,1,0,0,0,0|1,0,2]=4 1159 B11R0.177 CCOC(=O)C(F)C(=O)C=CI 1458a_100016256311_100000760018 [0,1,0,0,0,0|1,0,2]=4 1160 B11R0.177 CCOC(=O)C(F)C(=O)CC#N 1458a_100051588842_100000760018 [0,1,0,0,0,0|1,0,1]=3 1161 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,1,0,0,0,0|1,0,0]=2 1162 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,1,0,0,0,0|1,0,0]=2 1163 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,1,0,0,0,0|1,0,0]=2 1164 B11R0.177 CCOC(=O)C(F)N(C)CCO 2230a_100000210263_100000760018 [0,1,0,0,0,0|3,0,0]=4 1165 B11R0.177 CCOC(=O)C(F)N(C)CCO 269982a_100000210263_100000760018 [0,1,0,0,0,0|3,0,0]=4 1166 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [0,1,0,0,0,0|3,0,0]=4 1167 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [0,1,0,0,0,0|3,0,0]=4 1168 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,1,0,0,0,0|0,0,2]=3 1169 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,1,0,0,0,0|0,0,2]=3 1170 B11R0.182 CCCN(CC)CC(=O)NCC 2230a_100000226822_100000183381 [0,1,0,0,0,0|3,0,0]=4 1171 B11R0.182 CCCN(CC)CC(=O)NCC 269982a_100000226822_100000183381 [0,1,0,0,0,0|3,0,0]=4 1172 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [0,1,0,0,0,0|2,0,0]=3 1173 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [0,1,0,0,0,0|2,0,0]=3 1174 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [0,1,0,0,0,0|2,0,0]=3 1175 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [0,1,0,0,0,0|2,0,0]=3 1176 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [0,1,0,0,0,0|2,0,0]=3 1177 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [0,1,0,0,0,0|2,0,0]=3 1178 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [0,1,0,0,0,0|2,0,0]=3 1179 B11R0.182 CCOC(=O)CN(CC)CCF 2230a_100000220607_100011217306 [0,1,0,0,0,0|3,0,0]=4 1180 B11R0.182 CCOC(=O)CN(CC)CCF 269982a_100000220607_100011217306 [0,1,0,0,0,0|3,0,0]=4 1181 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000210973_100000188475 [0,1,0,0,0,0|3,0,0]=4 1182 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000220607_100000211926 [0,1,0,0,0,0|3,0,0]=4 1183 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000210973_100000188475 [0,1,0,0,0,0|3,0,0]=4 1184 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000220607_100000211926 [0,1,0,0,0,0|3,0,0]=4 1185 B11R0.182 CCOC(=O)CN(CC)COC 2230a_100000220607_100000766300 [0,1,0,0,0,0|3,0,0]=4 1186 B11R0.182 CCOC(=O)CN(CC)COC 269982a_100000220607_100000766300 [0,1,0,0,0,0|3,0,0]=4 1187 B11R0.182 CCOC(=O)CN(CC)CSC 2230a_100000220607_100011218213 [0,1,0,0,0,0|3,0,0]=4 1188 B11R0.182 CCOC(=O)CN(CC)CSC 269982a_100000220607_100011218213 [0,1,0,0,0,0|3,0,0]=4 1189 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,1,0,0,0,0|2,0,1]=4 1190 B11R0.187 C#CC(C)C(=O)CC(=O)OCC 1458a_100000243816_200000035995 [0,1,0,0,0,0|0,0,2]=3 1191 B11R0.187 C#CCC(=O)CC(=O)N(C)CC 1458a_100011220946_100011894763 [0,1,0,0,0,0|1,0,2]=4 1192 B11R0.187 C/C=C(\C)/C(=O)CC(=O)CCC 1458a_100020587367_100000747444 [0,1,0,0,0,0|1,0,1]=3 1193 B11R0.187 C/C=C(\C)/C(=O)CC(=O)NCC 1458a_100020587367_100000183381 [0,1,0,0,0,0|1,0,2]=4 1194 B11R0.187 C/C=C(\C)/C(=O)CC(=O)OCC 1458a_100020587367_100000188475 [0,1,0,0,0,0|0,0,2]=3 1195 B11R0.187 C=C(CC(=O)OCC)C(=O)NC 1626a_100102657272_200000043866 [0,1,0,0,0,0|2,0,1]=4 1196 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,1,0,0,0,0|2,0,0]=3 1197 B11R0.187 C=C(CCC)CC(=O)N(C)CC 11a_100000225621_100000138376 [0,1,0,0,0,0|2,0,0]=3 1198 B11R0.187 C=C(CCC)CC(=O)N(C)CC 240690a_100000225621_100000138376 [0,1,0,0,0,0|2,0,0]=3 1199 B11R0.187 C=C(CCC)CC(=O)N(C)CC 527a_100000225621_100000138376 [0,1,0,0,0,0|2,0,0]=3 1200 B11R0.187 C=CC(C)C(=O)CC(=O)CCC 1458a_100011216780_100000747444 [0,1,0,0,0,0|1,0,2]=4 1201 B11R0.187 C=CC(C)C(=O)CC(=O)NCC 1458a_100011216780_100000183381 [0,1,0,0,0,0|1,0,2]=4 1202 B11R0.187 C=CC(C)C(=O)CC(=O)OCC 1458a_100011216780_100000188475 [0,1,0,0,0,0|0,0,2]=3 1203 B11R0.187 C=CCC(=O)CC(=O)N(C)CC 1458a_100000210193_100011894763 [0,1,0,0,0,0|1,0,2]=4 1204 B11R0.187 C=COC(=O)CC(=O)C(C)CC 1458a_100011192722_100000036128 [0,1,0,0,0,0|0,0,2]=3 1205 B11R0.187 C=COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000036128 [0,1,0,0,0,0|1,0,2]=4 1206 B11R0.187 C=COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000036128 [0,1,0,0,0,0|1,0,2]=4 1207 B11R0.187 C=COC(=O)CC(=O)C(O)CC 1458a_100011196387_100000036128 [0,1,0,0,0,0|0,0,2]=3 1208 B11R0.187 C=COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000036128 [0,1,0,0,0,0|1,0,2]=4 1209 B11R0.187 CC#CC(=O)CC(=O)N(C)CC 1458a_100000763181_100011894763 [0,1,0,0,0,0|1,0,2]=4 1210 B11R0.187 CC=CC(=O)CC(=O)N(C)CC 1458a_100000210699_100011894763 [0,1,0,0,0,0|1,0,2]=4 1211 B11R0.187 CCC(C)C(=O)CC(=O)NCO 1458a_100011192722_100000185155 [0,1,0,0,0,0|2,0,0]=3 1212 B11R0.187 CCC(O)C(=O)CC(=O)NCO 1458a_100011196387_100000185155 [0,1,0,0,0,0|2,0,0]=3 1213 B11R0.187 CCCC(=CC(=O)C(C)CC)C 1458a_100020676950_100000758301 [0,1,0,0,0,0|2,0,1]=4 1214 B11R0.187 CCCC(=CC(=O)N(C)CC)C 11a_100000225621_100020676950 [0,1,0,0,0,0|2,0,1]=4 1215 B11R0.187 CCCC(=CC(=O)N(C)CC)C 1626a_100000225621_100020676950 [0,1,0,0,0,0|2,0,1]=4 1216 B11R0.187 CCCC(=CC(=O)N(C)CC)C 240690a_100000225621_100020676950 [0,1,0,0,0,0|2,0,1]=4 1217 B11R0.187 CCCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747444 [0,1,0,0,0,0|2,0,0]=3 1218 B11R0.187 CCCC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000747444 [0,1,0,0,0,0|2,0,1]=4 1219 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,1,0,0,0,0|1,0,0]=2 1220 B11R0.187 CCCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747444 [0,1,0,0,0,0|2,0,0]=3 1221 B11R0.187 CCCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747444 [0,1,0,0,0,0|2,0,0]=3 1222 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,1,0,0,0,0|1,0,0]=2 1223 B11R0.187 CCCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747444 [0,1,0,0,0,0|2,0,0]=3 1224 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [0,1,0,0,0,0|1,0,0]=2 1225 B11R0.187 CCCC(=O)CC(=O)N(C)OC 1458a_100000211992_100000764215 [0,1,0,0,0,0|2,0,0]=3 1226 B11R0.187 CCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210303 [0,1,0,0,0,0|2,0,1]=4 1227 B11R0.187 CCCC(=O)CN(C)C(C)CC 2230a_100000741768_100000747444 [0,1,0,0,0,0|3,0,0]=4 1228 B11R0.187 CCCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747444 [0,1,0,0,0,0|3,0,0]=4 1229 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100000748435_100000758301 [0,1,0,0,0,0|2,0,1]=4 1230 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100011192722_100011216630 [0,1,0,0,0,0|2,0,1]=4 1231 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,1,0,0,0,0|2,0,1]=4 1232 B11R0.187 CCCC(C)CC(=O)N(C)CC 11a_100000225621_100000748435 [0,1,0,0,0,0|2,0,1]=4 1233 B11R0.187 CCCC(C)CC(=O)N(C)CC 1626a_100000225621_100000748435 [0,1,0,0,0,0|2,0,1]=4 1234 B11R0.187 CCCC(C)CC(=O)N(C)CC 240690a_100000225621_100000748435 [0,1,0,0,0,0|2,0,1]=4 1235 B11R0.187 CCCC(C)CC(=O)N(C)CC 527a_100000225621_100000748435 [0,1,0,0,0,0|2,0,1]=4 1236 B11R0.187 CCCN(C)CC(=O)N(C)CC 2230a_100000747261_100000738999 [0,1,0,0,0,0|3,0,0]=4 1237 B11R0.187 CCCN(C)CC(=O)N(C)CC 269982a_100000747261_100000738999 [0,1,0,0,0,0|3,0,0]=4 1238 B11R0.187 CCCS(=O)CC(=O)C(C)CC 1458a_100011387404_100000758301 [0,1,0,0,0,0|2,0,0]=3 1239 B11R0.187 CCCS(=O)CC(=O)N(C)CC 11a_100000225621_100011387404 [0,1,0,0,0,0|2,0,0]=3 1240 B11R0.187 CCCS(=O)CC(=O)N(C)CC 1626a_100000225621_100011387404 [0,1,0,0,0,0|2,0,0]=3 1241 B11R0.187 CCCS(=O)CC(=O)N(C)CC 240690a_100000225621_100011387404 [0,1,0,0,0,0|2,0,0]=3 1242 B11R0.187 CCCS(=O)CC(=O)N(C)CC 527a_100000225621_100011387404 [0,1,0,0,0,0|2,0,0]=3 1243 B11R0.187 CCN(C)C(=O)CC(=O)CC#N 1458a_100051588842_100011894763 [0,1,0,0,0,0|2,0,1]=4 1244 B11R0.187 CCN(C)C(=O)CC(=O)CCO 1458a_100011216618_100011894763 [0,1,0,0,0,0|2,0,0]=3 1245 B11R0.187 CCN(C)C(=O)CC(=O)COC 1458a_100000210968_100011894763 [0,1,0,0,0,0|2,0,0]=3 1246 B11R0.187 CCN(C)C(=O)CC(=O)CSC 1458a_100000184570_100011894763 [0,1,0,0,0,0|2,0,0]=3 1247 B11R0.187 CCNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183381 [0,1,0,0,0,0|2,0,1]=4 1248 B11R0.187 CCNC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000183381 [0,1,0,0,0,0|2,0,1]=4 1249 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,1,0,0,0,0|1,0,0]=2 1250 B11R0.187 CCNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183381 [0,1,0,0,0,0|2,0,0]=3 1251 B11R0.187 CCNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183381 [0,1,0,0,0,0|2,0,0]=3 1252 B11R0.187 CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183381 [0,1,0,0,0,0|1,0,0]=2 1253 B11R0.187 CCNC(=O)CC(=O)C(O)CO 1458a_100011215603_100000183381 [0,1,0,0,0,0|2,0,0]=3 1254 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000183381 [0,1,0,0,0,0|3,0,0]=4 1255 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741943_100000758301 [0,1,0,0,0,0|3,0,0]=4 1256 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000183381 [0,1,0,0,0,0|3,0,0]=4 1257 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741943_100000758301 [0,1,0,0,0,0|3,0,0]=4 1258 B11R0.187 CCNC(=O)NC(=O)C(C)NC 2230a_106832991635_100000183890 [0,1,0,0,0,0|3,0,0]=4 1259 B11R0.187 CCNC(=O)NC(=O)C(C)NC 7a_106832991635_100000183890 [0,1,0,0,0,0|3,0,0]=4 1260 B11R0.187 CCNC(=O)NC(=O)C(C)SC 62a_200000210301_100000183890 [0,1,0,0,0,0|3,0,0]=4 1261 B11R0.187 CCNC(=O)NC(=O)C(C)S[13CH3] 62a_200025704644_100000183890 [0,1,0,0,0,0|3,0,0]=4 1262 B11R0.187 CCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000188475 [0,1,0,0,0,0|1,0,1]=3 1263 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000243816_100000703298 [0,1,0,0,0,0|1,0,1]=3 1264 B11R0.187 CCOC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000188475 [0,1,0,0,0,0|1,0,1]=3 1265 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,1,0,0,0,0|0,0,0]=1 1266 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,1,0,0,0,0|0,0,0]=1 1267 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,1,0,0,0,0|1,0,0]=2 1268 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,1,0,0,0,0|1,0,0]=2 1269 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,1,0,0,0,0|1,0,0]=2 1270 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,1,0,0,0,0|1,0,0]=2 1271 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,1,0,0,0,0|1,0,0]=2 1272 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,1,0,0,0,0|1,0,0]=2 1273 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,1,0,0,0,0|0,0,0]=1 1274 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,1,0,0,0,0|1,0,0]=2 1275 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,1,0,0,0,0|1,0,0]=2 1276 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,1,0,0,0,0|1,0,2]=4 1277 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,1,0,0,0,0|2,0,1]=4 1278 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,1,0,0,0,0|2,0,1]=4 1279 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1280 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1281 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1282 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [0,1,0,0,0,0|2,0,1]=4 1283 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,1,0,0,0,0|2,0,0]=3 1284 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,1,0,0,0,0|2,0,0]=3 1285 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,1,0,0,0,0|2,0,0]=3 1286 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000220588_100012180447 [0,1,0,0,0,0|3,0,0]=4 1287 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000188475 [0,1,0,0,0,0|3,0,0]=4 1288 B11R0.187 CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000188475 [0,1,0,0,0,0|3,0,0]=4 1289 B11R0.187 CCSC(C)CC(=O)C(C)CC 1458a_200011311441_100000758301 [0,1,0,0,0,0|1,1,1]=4 1290 B11R0.187 COC(C)C(=O)CC(=O)NCO 1458a_100000743197_100000185155 [0,1,0,0,0,0|3,0,0]=4 1291 B11R0.187 COCC(=O)CC(=O)N(C)OC 1458a_100000210968_100000764215 [0,1,0,0,0,0|3,0,0]=4 1292 B11R0.187 CON(C)C(=O)CC(=O)CCO 1458a_100011216618_100000764215 [0,1,0,0,0,0|3,0,0]=4 1293 B11R0.187 CON(C)C(=O)CC(=O)CSC 1458a_100000184570_100000764215 [0,1,0,0,0,0|3,0,0]=4 1294 B11R0.187 CSC(C)C(=O)CC(=O)NCO 1458a_100000149566_100000185155 [0,1,0,0,0,0|3,0,0]=4 1295 B11R0.187 O=C(CC(=O)C(O)CO)NCO 1458a_100011215603_100000185155 [0,1,0,0,0,0|3,0,0]=4 1296 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,1,0,0,0,0|1,0,2]=4 1297 B11R0.353 CCCC(=O)C[Si](C)(C)OCC 1458a_100000211992_200000065227 [0,1,0,0,0,0|1,1,0]=3 1298 B11R0.353 CCCC(=O)NS(=O)(=O)CCC 2740a_100000171175_100000211992 [0,1,0,0,0,0|3,0,0]=4 1299 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,1,0,0,0,0|1,0,2]=4 1300 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,1,0,0,0,0|1,0,2]=4 1301 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 270084a_100015525214_100000738689 [0,1,0,0,0,0|2,0,0]=3 1302 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 274078a_100015525214_100000738689 [0,1,0,0,0,0|2,0,0]=3 1303 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,1,0,0,0,0|2,0,1]=4 1304 B11R0.353 CCO[Si](C)(C)CC(=O)CCO 1458a_100011216618_200000065227 [0,1,0,0,0,0|2,1,0]=4 1305 B11R0.353 CCO[Si](C)(C)CC(=O)COC 1458a_100000210968_200000065227 [0,1,0,0,0,0|2,1,0]=4 1306 B11R0.353 CCO[Si](C)(C)CC(=O)CSC 1458a_100000184570_200000065227 [0,1,0,0,0,0|2,1,0]=4 1307 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,0,0,1,0,0|2,0,1]=4 1308 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,1,0,0|2,0,0]=3 1309 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,0,1,0,0|2,0,1]=4 1310 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,0,1,0,0|2,0,1]=4 1311 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,0|1,0,1]=3 1312 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,0,0,1,0,0|0,0,2]=3 1313 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,0,1,0,0|3,0,0]=4 1314 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,0,1,0,0|3,0,0]=4 1315 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,0,1,0,0|3,0,0]=4 1316 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,0,0,1,0,0|1,0,2]=4 1317 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,0,0,1,0,0|1,0,2]=4 1318 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,0,0,1,0,0|2,0,1]=4 1319 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,0,0,1,0,0|2,0,1]=4 1320 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,0,0,1,0,0|2,0,1]=4 1321 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,0,0,1,0,0|2,0,0]=3 1322 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,0,0,1,0,0|2,0,0]=3 1323 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,0,0,1,0,0|2,0,0]=3 1324 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,0,1,0,0|2,0,1]=4 1325 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,0,1,0,0|2,0,1]=4 1326 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,0,1,0,0|2,0,1]=4 1327 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,0,0,1,0,0|3,0,0]=4 1328 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,0,0,1,0,0|3,0,0]=4 1329 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,0,0,1,0,0|3,0,0]=4 1330 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,0,0,1,0,0|3,0,0]=4 1331 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,0,0,1,0,0|2,0,0]=3 1332 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,0,0,1,0,0|2,0,0]=3 1333 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,0,0,1,0,0|3,0,0]=4 1334 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,0,0,1,0,0|3,0,0]=4 1335 B11R1.30 CNNC(=O)CC1=CCCC1 22a_100016993582_100000050221 [0,0,0,1,0,0|3,0,0]=4 1336 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,0,0,1,0,0|2,0,1]=4 1337 B11R1.30 COCC(=O)CC1OCCO1 1458a_100000210968_100000755774 [0,0,0,1,0,0|1,0,2]=4 1338 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,0,0,1,0,0|2,0,1]=4 1339 B11R1.30 CSCC(=O)CC1OCCO1 1458a_100000184570_100000755774 [0,0,0,1,0,0|1,0,2]=4 1340 B11R1.30 O=C(CCF)CC1=CCCC1 1458a_100000050221_100011217306 [0,0,0,1,0,0|3,0,0]=4 1341 B11R1.30 O=C(CCO)CC1=CCCC1 1458a_100000050221_100000211926 [0,0,0,1,0,0|3,0,0]=4 1342 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,0,0,1,0,0|2,0,1]=4 1343 B11R1.30 O=C(CCO)CC1OCCO1 1458a_100011216618_100000755774 [0,0,0,1,0,0|1,0,2]=4 1344 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,0|3,0,0]=4 1345 B11R1.199 C#CCC(=O)C1CCCC1=O 1458a_100011220946_100000211823 [0,0,0,1,0,0|1,0,2]=4 1346 B11R1.199 C#CCC(=O)C1CCOC1=O 1458a_100011220946_100000211211 [0,0,0,1,0,0|0,0,2]=3 1347 B11R1.199 C=CCC(=O)C1CCCC1=O 1458a_100000210193_100000211823 [0,0,0,1,0,0|1,0,2]=4 1348 B11R1.199 C=CCC(=O)C1CCOC1=O 1458a_100000210193_100000211211 [0,0,0,1,0,0|0,0,2]=3 1349 B11R1.199 CC#CC(=O)C1CCCC1=O 1458a_100000763181_100000211823 [0,0,0,1,0,0|1,0,1]=3 1350 B11R1.199 CC#CC(=O)C1CCOC1=O 1458a_100000763181_100000211211 [0,0,0,1,0,0|0,0,2]=3 1351 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [0,0,0,1,0,0|1,0,1]=3 1352 B11R1.199 CC=CC(=O)C1CCOC1=O 1458a_100000210699_100000211211 [0,0,0,1,0,0|0,0,2]=3 1353 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,0,0,1,0,0|1,0,0]=2 1354 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,0,0,1,0,0|2,0,1]=4 1355 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,0,0,1,0,0|0,0,0]=1 1356 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,0,0,1,0,0|3,0,0]=4 1357 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,0,0,1,0,0|3,0,0]=4 1358 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,0,0,1,0,0|3,0,0]=4 1359 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,0,0,1,0,0|2,0,0]=3 1360 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,0,0,1,0,0|2,0,0]=3 1361 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,0,0,1,0,0|2,0,1]=4 1362 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,0,0,1,0,0|2,0,1]=4 1363 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,0,0,1,0,0|2,0,1]=4 1364 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 1365 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 1366 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 1367 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 1368 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 1369 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 1370 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 1371 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 1372 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 1373 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,0,0,1,0,0|2,0,0]=3 1374 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,0,0,1,0,0|2,0,0]=3 1375 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,0,0,1,0,0|2,0,0]=3 1376 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,0,0,1,0,0|2,0,0]=3 1377 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,0,0,1,0,0|3,0,0]=4 1378 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,0,0,1,0,0|3,0,0]=4 1379 B11R1.199 CN(CCO)C1CCOC1=O 2230a_100000210263_100000211211 [0,0,0,1,0,0|3,0,0]=4 1380 B11R1.199 CN(CCO)C1CCOC1=O 269982a_100000210263_100000211211 [0,0,0,1,0,0|3,0,0]=4 1381 B11R1.199 CNCC(=O)N1CCNC1=O 2230a_106832991635_100000185157 [0,0,0,1,0,0|3,0,0]=4 1382 B11R1.199 CNCC(=O)N1CCNC1=O 7a_106832991635_100000185157 [0,0,0,1,0,0|3,0,0]=4 1383 B11R1.199 COCC(=O)C1CCCC1=O 1458a_100000210968_100000211823 [0,0,0,1,0,0|2,0,0]=3 1384 B11R1.199 COCC(=O)C1CCOC1=O 1458a_100000210968_100000211211 [0,0,0,1,0,0|1,0,0]=2 1385 B11R1.199 CSCC(=O)C1CCCC1=O 1458a_100000184570_100000211823 [0,0,0,1,0,0|2,0,0]=3 1386 B11R1.199 CSCC(=O)C1CCOC1=O 1458a_100000184570_100000211211 [0,0,0,1,0,0|1,0,0]=2 1387 B11R1.199 CSCC(=O)N1CCNC1=O 62a_100000185157_200000210301 [0,0,0,1,0,0|3,0,0]=4 1388 B11R1.199 CSCC(=O)N1CCNC1=O 62a_200000210301_100000185157 [0,0,0,1,0,0|3,0,0]=4 1389 B11R1.199 N#CCC(=O)C1CCCC1=O 1458a_100051588842_100000211823 [0,0,0,1,0,0|2,0,1]=4 1390 B11R1.199 N#CCC(=O)C1CCOC1=O 1458a_100051588842_100000211211 [0,0,0,1,0,0|1,0,1]=3 1391 B11R1.199 O=C(C=CBr)C1CCCC1=O 1458a_100016273825_100000211823 [0,0,0,1,0,0|2,0,1]=4 1392 B11R1.199 O=C(C=CBr)C1CCOC1=O 1458a_100016273825_100000211211 [0,0,0,1,0,0|1,0,2]=4 1393 B11R1.199 O=C(C=CCl)C1CCCC1=O 1458a_200016279998_100000211823 [0,0,0,1,0,0|2,0,1]=4 1394 B11R1.199 O=C(C=CCl)C1CCOC1=O 1458a_200016279998_100000211211 [0,0,0,1,0,0|1,0,2]=4 1395 B11R1.199 O=C(C=CI)C1CCCC1=O 1458a_100016256311_100000211823 [0,0,0,1,0,0|2,0,1]=4 1396 B11R1.199 O=C(C=CI)C1CCOC1=O 1458a_100016256311_100000211211 [0,0,0,1,0,0|1,0,2]=4 1397 B11R1.199 O=C(CCO)C1CCCC1=O 1458a_100011216618_100000211823 [0,0,0,1,0,0|2,0,0]=3 1398 B11R1.199 O=C(CCO)C1CCOC1=O 1458a_100011216618_100000211211 [0,0,0,1,0,0|1,0,0]=2 1399 B11R1.199 [13CH3]SCC(=O)N1CCNC1=O 62a_100000185157_200025704644 [0,0,0,1,0,0|3,0,0]=4 1400 B11R1.199 [13CH3]SCC(=O)N1CCNC1=O 62a_200025704644_100000185157 [0,0,0,1,0,0|3,0,0]=4 1401 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,0,0,1,0,0|3,0,0]=4 1402 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,0,0,1,0,0|3,0,0]=4 1403 B11R1.201 CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 1404 B11R1.201 CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 1405 B11R1.201 CCNC(=O)CN1CC(C1)C 34a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 1406 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,0,0,1,0,0|2,0,0]=3 1407 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,0,0,1,0,0|2,0,0]=3 1408 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,0,0,1,0,0|2,0,0]=3 1409 B11R1.201 CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000188475 [0,0,0,1,0,0|3,0,0]=4 1410 B11R1.201 CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000188475 [0,0,0,1,0,0|3,0,0]=4 1411 B11R1.201 CCOC(=O)CN1CC(C1)F 34a_100000690557_100000188475 [0,0,0,1,0,0|3,0,0]=4 1412 B11R1.201 CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000188475 [0,0,0,1,0,0|3,0,0]=4 1413 B11R1.334 C#CCC(=O)CC(=O)C1CC1 1458a_100011220946_100000746382 [0,0,0,1,0,0|1,0,2]=4 1414 B11R1.334 C=CCC(=O)CC(=O)C1CC1 1458a_100000210193_100000746382 [0,0,0,1,0,0|1,0,2]=4 1415 B11R1.334 C=COC(=O)CC(=O)C1CC1 1458a_100000210395_100000036128 [0,0,0,1,0,0|0,0,2]=3 1416 B11R1.334 C=COC(=O)CC(=O)C1CO1 1458a_100000701028_100000036128 [0,0,0,1,0,0|1,0,2]=4 1417 B11R1.334 CC#CC(=O)CC(=O)C1CC1 1458a_100000763181_100000746382 [0,0,0,1,0,0|1,0,1]=3 1418 B11R1.334 CC=CC(=O)CC(=O)C1CC1 1458a_100000210699_100000746382 [0,0,0,1,0,0|1,0,1]=3 1419 B11R1.334 CCCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210303 [0,0,0,1,0,0|2,0,1]=4 1420 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,0,0,1,0,0|1,0,0]=2 1421 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,0,0,1,0,0|1,0,0]=2 1422 B11R1.334 CCCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747444 [0,0,0,1,0,0|2,0,0]=3 1423 B11R1.334 CCCC(=O)CN(C)C1CC1 2230a_100000226674_100000747444 [0,0,0,1,0,0|3,0,0]=4 1424 B11R1.334 CCCC(=O)CN(C)C1CC1 269982a_100000226674_100000747444 [0,0,0,1,0,0|3,0,0]=4 1425 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,0,0,1,0,0|2,0,1]=4 1426 B11R1.334 CCCN(C)CC(=O)C1CC1 2230a_100000747261_100000746382 [0,0,0,1,0,0|3,0,0]=4 1427 B11R1.334 CCCN(C)CC(=O)C1CC1 269982a_100000747261_100000746382 [0,0,0,1,0,0|3,0,0]=4 1428 B11R1.334 CCNC(=O)C=C(C)C1CC1 11a_100015525214_100000742917 [0,0,0,1,0,0|2,0,1]=4 1429 B11R1.334 CCNC(=O)C=C(C)C1CC1 240690a_100015525214_100000742917 [0,0,0,1,0,0|2,0,1]=4 1430 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,0,0,1,0,0|1,0,0]=2 1431 B11R1.334 CCNC(=O)CC(=O)C1CO1 1458a_100000701028_100000183381 [0,0,0,1,0,0|2,0,0]=3 1432 B11R1.334 CCNC(=O)CN(C)C1CC1 2230a_100000226674_100000183381 [0,0,0,1,0,0|3,0,0]=4 1433 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000226674_100000183381 [0,0,0,1,0,0|3,0,0]=4 1434 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000741943_100000211595 [0,0,0,1,0,0|3,0,0]=4 1435 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,0,0,1,0,0|0,0,0]=1 1436 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,0,0,1,0,0|1,0,0]=2 1437 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,0,0,1,0,0|2,0,0]=3 1438 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,0,0,1,0,0|2,0,0]=3 1439 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,0,0,1,0,0|2,0,0]=3 1440 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,0,0,1,0,0|2,0,0]=3 1441 B11R1.334 COCC(=O)CC(=O)C1CC1 1458a_100000210968_100000746382 [0,0,0,1,0,0|2,0,0]=3 1442 B11R1.334 CSCC(=O)CC(=O)C1CC1 1458a_100000184570_100000746382 [0,0,0,1,0,0|2,0,0]=3 1443 B11R1.334 N#CCC(=O)CC(=O)C1CC1 1458a_100051588842_100000746382 [0,0,0,1,0,0|2,0,1]=4 1444 B11R1.334 O=C(C=CBr)CC(=O)C1CC1 1458a_100016273825_100000746382 [0,0,0,1,0,0|2,0,1]=4 1445 B11R1.334 O=C(C=CCl)CC(=O)C1CC1 1458a_200016279998_100000746382 [0,0,0,1,0,0|2,0,1]=4 1446 B11R1.334 O=C(C=CI)CC(=O)C1CC1 1458a_100016256311_100000746382 [0,0,0,1,0,0|2,0,1]=4 1447 B11R1.334 O=C(CC(=O)C1CC1)NCO 1458a_100000210395_100000185155 [0,0,0,1,0,0|2,0,0]=3 1448 B11R1.334 O=C(CC(=O)C1CO1)NCO 1458a_100000701028_100000185155 [0,0,0,1,0,0|3,0,0]=4 1449 B11R1.334 O=C(CCO)CC(=O)C1CC1 1458a_100011216618_100000746382 [0,0,0,1,0,0|2,0,0]=3 1450 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,0,0,1,0,0|2,0,1]=4 1451 B9R0.35 C#CCC(=O)C(=O)NCC 1458a_200011297158_100000184674 [0,0,0,0,1,0|1,0,2]=4 1452 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,0,0,0,1,0|2,0,0]=3 1453 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,0,0,0,1,0|2,0,0]=3 1454 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,0,0,0,1,0|2,0,0]=3 1455 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,0,0,0,1,0|2,0,0]=3 1456 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,0,0,0,1,0|2,0,0]=3 1457 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,0,0,0,1,0|2,0,0]=3 1458 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,0,0,0,1,0|2,0,0]=3 1459 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,0,0,0,1,0|1,0,2]=4 1460 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,0,0,0,1,0|2,0,0]=3 1461 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,0,0,0,1,0|3,0,0]=4 1462 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,0,0,0,1,0|3,0,0]=4 1463 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,0,0,0,1,0|2,0,1]=4 1464 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,0,0,0,1,0|2,0,1]=4 1465 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,0,0,0,1,0|2,0,1]=4 1466 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,0,0,0,1,0|3,0,0]=4 1467 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,0,0,0,1,0|1,0,0]=2 1468 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,0,0,0,1,0|2,0,1]=4 1469 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,0,0,0,1,0|2,0,1]=4 1470 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,0,0,0,1,0|1,0,1]=3 1471 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,0,0,0,1,0|1,1,1]=4 1472 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1473 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1474 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1475 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,0,0,0,1,0|3,0,0]=4 1476 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,0,0,0,1,0|1,0,2]=4 1477 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,0,0,0,1,0|2,0,1]=4 1478 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,0,0,0,1,0|2,0,1]=4 1479 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,0,0,0,1,0|2,0,1]=4 1480 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,0,0,0,1,0|3,0,0]=4 1481 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,0,0,0,1,0|3,0,0]=4 1482 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,0,0,0,1,0|1,0,2]=4 1483 B9R0.35 CCNC(=O)C(=O)CC#N 1458a_200011297158_100011214920 [0,0,0,0,1,0|2,0,1]=4 1484 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,0,0,0,1,0|2,0,0]=3 1485 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,0,0,0,1,0|2,0,0]=3 1486 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,0,0,0,1,0|2,0,0]=3 1487 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,0,0,0,1,0|2,0,0]=3 1488 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,0,0,0,1,0|3,0,0]=4 1489 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,0,0,0,1,0|1,0,0]=2 1490 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,0,0,0,1,0|1,0,0]=2 1491 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,0,0,0,1,0|2,0,1]=4 1492 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,0,0,0,1,0|2,0,1]=4 1493 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,0,0,0,1,0|2,0,1]=4 1494 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,0,0,0,1,0|2,0,1]=4 1495 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,0,0,0,1,0|2,0,1]=4 1496 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,0,0,0,1,0|2,0,1]=4 1497 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,0,0,0,1,0|1,0,0]=2 1498 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,0,0,0,1,0|1,0,0]=2 1499 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,0,0,0,1,0|1,0,0]=2 1500 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,0,0,0,1,0|1,0,0]=2 1501 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,0,0,0,1,0|2,0,1]=4 1502 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,0,0,0,1,0|2,0,1]=4 1503 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,0,0,0,1,0|2,0,1]=4 1504 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,0,0,0,1,0|2,0,1]=4 1505 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,0,0,0,1,0|2,0,1]=4 1506 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,0,0,0,1,0|2,0,1]=4 1507 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,0,0,0,1,0|2,0,1]=4 1508 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,0,0,0,1,0|2,0,1]=4 1509 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,0,0,0,1,0|2,0,1]=4 1510 B11R0.62 C#CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000184674 [0,0,0,0,0,1|0,0,3]=4 1511 B11R0.62 C#CCC(=O)CCC(=O)NCC 1458a_100000199579_100000184674 [0,0,0,0,0,1|1,0,2]=4 1512 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,0,0,0,0,1|0,0,2]=3 1513 B11R0.62 C#CCC(=O)CNC(=O)OCC 1458a_100000190774_100000184674 [0,0,0,0,0,1|0,0,2]=3 1514 B11R0.62 C#CCC(=O)COC(=O)CCC 1458a_100011220946_100000034017 [0,0,0,0,0,1|1,0,2]=4 1515 B11R0.62 C#CCC(=O)NCC(=O)NCC 1626a_100016988866_100011220946 [0,0,0,0,0,1|1,0,2]=4 1516 B11R0.62 C#CCC(=O)NCC(=O)NCC 527a_100016988866_100011220946 [0,0,0,0,0,1|1,0,2]=4 1517 B11R0.62 C#CCC(=O)NCC(=O)OCC 188690a_100000741813_100011220946 [0,0,0,0,0,1|0,0,2]=3 1518 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [0,0,0,0,0,1|0,0,3]=4 1519 B11R0.62 C=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000210623 [0,0,0,0,0,1|1,0,2]=4 1520 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,0,0,0,0,1|0,0,2]=3 1521 B11R0.62 C=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000210623 [0,0,0,0,0,1|0,0,2]=3 1522 B11R0.62 C=CCC(=O)COC(=O)CCC 1458a_100000210193_100000034017 [0,0,0,0,0,1|1,0,2]=4 1523 B11R0.62 C=CCC(=O)NCC(=O)NCC 11a_100016988866_100000210193 [0,0,0,0,0,1|1,0,2]=4 1524 B11R0.62 C=CCC(=O)NCC(=O)NCC 1626a_100016988866_100000210193 [0,0,0,0,0,1|1,0,2]=4 1525 B11R0.62 C=CCC(=O)NCC(=O)NCC 240690a_100016988866_100000210193 [0,0,0,0,0,1|1,0,2]=4 1526 B11R0.62 C=CCC(=O)NCC(=O)NCC 527a_100016988866_100000210193 [0,0,0,0,0,1|1,0,2]=4 1527 B11R0.62 C=CCC(=O)NCC(=O)OCC 188690a_100000741813_100000210193 [0,0,0,0,0,1|0,0,2]=3 1528 B11R0.62 CC#CC(=O)COC(=O)CCC 1458a_100000763181_100000034017 [0,0,0,0,0,1|1,0,1]=3 1529 B11R0.62 CC#CC(=O)NNC(=O)CCC 22a_100000189770_100000763181 [0,0,0,0,0,1|2,0,1]=4 1530 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,0,0,0,0,1|1,0,1]=3 1531 B11R0.62 CC=CC(=O)NCC(=O)NCC 11a_100016988866_100000210699 [0,0,0,0,0,1|1,0,2]=4 1532 B11R0.62 CC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000210699 [0,0,0,0,0,1|1,0,2]=4 1533 B11R0.62 CC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000210699 [0,0,0,0,0,1|1,0,2]=4 1534 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [0,0,0,0,0,1|0,0,2]=3 1535 B11R0.62 CC=CC(=O)NNC(=O)CCC 22a_100000189770_100000210699 [0,0,0,0,0,1|2,0,1]=4 1536 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,0,0,0,0,1|0,0,1]=2 1537 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,0,0,0,0,1|1,0,0]=2 1538 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,0,0,0,0,1|0,0,0]=1 1539 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,0,0,0,0,1|0,0,0]=1 1540 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,0,0,0,0,1|2,0,1]=4 1541 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,0,0,0,0,1|1,0,0]=2 1542 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,0,0,0,0,1|2,0,1]=4 1543 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,0,0,0,0,1|2,0,1]=4 1544 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,0,0,0,0,1|2,0,1]=4 1545 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,0,0,0,0,1|1,0,0]=2 1546 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,0,0,0,0,1|1,0,0]=2 1547 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,0,0,0,0,1|1,0,0]=2 1548 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,0,0,0,0,1|1,0,0]=2 1549 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,0,0,0,0,1|0,0,0]=1 1550 B11R0.62 CCCC(=O)NN=C(C)CCC 4a_100000189770_100000211909 [0,0,0,0,0,1|3,0,0]=4 1551 B11R0.62 CCCC(=O)NNC(=O)CCC 22a_100000189770_100000211992 [0,0,0,0,0,1|2,0,0]=3 1552 B11R0.62 CCCC(=O)NNC(=O)CCO 22a_100000189770_100011216618 [0,0,0,0,0,1|3,0,0]=4 1553 B11R0.62 CCCC(=O)NNC(=O)COC 22a_100000189770_100000210968 [0,0,0,0,0,1|3,0,0]=4 1554 B11R0.62 CCCC(=O)NNC(=O)COC 22a_100000216845_100000211992 [0,0,0,0,0,1|3,0,0]=4 1555 B11R0.62 CCCC(=O)NNC(=O)CSC 22a_100000189770_100000184570 [0,0,0,0,0,1|3,0,0]=4 1556 B11R0.62 CCCC(=O)NNC(=O)NCC 273464a_100015525214_100000189770 [0,0,0,0,0,1|2,0,0]=3 1557 B11R0.62 CCCC(=O)NNC(=O)NCC 512a_100000189770_100015525214 [0,0,0,0,0,1|2,0,0]=3 1558 B11R0.62 CCCC(=O)NNC(=O)NNC 512a_100000189770_100016993582 [0,0,0,0,0,1|3,0,0]=4 1559 B11R0.62 CCCC(=O)OCC(=O)C=CBr 1458a_100016273825_100000034017 [0,0,0,0,0,1|2,0,1]=4 1560 B11R0.62 CCCC(=O)OCC(=O)C=CCl 1458a_200016279998_100000034017 [0,0,0,0,0,1|2,0,1]=4 1561 B11R0.62 CCCC(=O)OCC(=O)C=CI 1458a_100016256311_100000034017 [0,0,0,0,0,1|2,0,1]=4 1562 B11R0.62 CCCC(=O)OCC(=O)CC#N 1458a_100051588842_100000034017 [0,0,0,0,0,1|2,0,1]=4 1563 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,0,0,0,0,1|2,0,0]=3 1564 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,0,0,0,0,1|2,0,0]=3 1565 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,0,0,0,0,1|2,0,0]=3 1566 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,0,0,0,0,1|3,0,0]=4 1567 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,0,0,0,0,1|3,0,0]=4 1568 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,0,0,0,0,1|2,0,1]=4 1569 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,0,0,0,0,1|2,0,1]=4 1570 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,0,0,0,0,1|2,0,1]=4 1571 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,0,0,0,0,1|1,0,1]=3 1572 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,0,0,0,0,1|2,0,1]=4 1573 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,0,0,0,0,1|2,0,1]=4 1574 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,0,0,0,0,1|1,0,1]=3 1575 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,0,0,0,0,1|1,0,1]=3 1576 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,0,0,0,0,1|2,0,1]=4 1577 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,0,0,0,0,1|2,0,1]=4 1578 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,0,0,0,0,1|1,0,1]=3 1579 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,0,0,0,0,1|1,0,1]=3 1580 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,0,0,0,0,1|3,0,0]=4 1581 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,0,0,0,0,1|3,0,0]=4 1582 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,0,0,0,0,1|2,0,0]=3 1583 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,0,0,0,0,1|2,0,0]=3 1584 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,0,0,0,0,1|2,0,0]=3 1585 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,0,0,0,0,1|2,0,0]=3 1586 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [0,0,0,0,0,1|1,0,1]=3 1587 B11R0.62 CCNC(=O)CCC(=O)CC#N 1458a_100000199579_100011214920 [0,0,0,0,0,1|2,0,1]=4 1588 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,0,0,0,0,1|2,0,0]=3 1589 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,0,0,0,0,1|2,0,0]=3 1590 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,0,0,0,0,1|2,0,0]=3 1591 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,0,0,0,0,1|2,0,0]=3 1592 B11R0.62 CCNC(=O)CCC(=O)NNC 22a_100016993582_100000199579 [0,0,0,0,0,1|3,0,0]=4 1593 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,0,0,0,0,1|1,0,0]=2 1594 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,0,0,0,0,1|1,0,0]=2 1595 B11R0.62 CCNC(=O)CNC(=O)CC#N 1626a_100016988866_100051588842 [0,0,0,0,0,1|2,0,1]=4 1596 B11R0.62 CCNC(=O)CNC(=O)CC#N 240690a_100016988866_100051588842 [0,0,0,0,0,1|2,0,1]=4 1597 B11R0.62 CCNC(=O)CNC(=O)CCO 240690a_100016988866_100011216618 [0,0,0,0,0,1|2,0,0]=3 1598 B11R0.62 CCNC(=O)CNC(=O)COC 11a_100016988866_100000210968 [0,0,0,0,0,1|2,0,0]=3 1599 B11R0.62 CCNC(=O)CNC(=O)COC 1626a_100016988866_100000210968 [0,0,0,0,0,1|2,0,0]=3 1600 B11R0.62 CCNC(=O)CNC(=O)COC 240690a_100016988866_100000210968 [0,0,0,0,0,1|2,0,0]=3 1601 B11R0.62 CCNC(=O)CNC(=O)COC 527a_100016988866_100000210968 [0,0,0,0,0,1|2,0,0]=3 1602 B11R0.62 CCNC(=O)CNC(=O)CSC 11a_100016988866_100000184570 [0,0,0,0,0,1|2,0,0]=3 1603 B11R0.62 CCNC(=O)CNC(=O)CSC 1626a_100016988866_100000184570 [0,0,0,0,0,1|2,0,0]=3 1604 B11R0.62 CCNC(=O)CNC(=O)CSC 240690a_100016988866_100000184570 [0,0,0,0,0,1|2,0,0]=3 1605 B11R0.62 CCNC(=O)CNC(=O)CSC 527a_100016988866_100000184570 [0,0,0,0,0,1|2,0,0]=3 1606 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100015525214_100016988866 [0,0,0,0,0,1|2,0,0]=3 1607 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100016988866_100015525214 [0,0,0,0,0,1|2,0,0]=3 1608 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100015525214_100016988866 [0,0,0,0,0,1|2,0,0]=3 1609 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100016988866_100015525214 [0,0,0,0,0,1|2,0,0]=3 1610 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100015525214_100016988866 [0,0,0,0,0,1|2,0,0]=3 1611 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100016988866_100015525214 [0,0,0,0,0,1|2,0,0]=3 1612 B11R0.62 CCNC(=O)CNC(=O)NNC 273464a_100016988866_100016993582 [0,0,0,0,0,1|3,0,0]=4 1613 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016988866_100016993582 [0,0,0,0,0,1|3,0,0]=4 1614 B11R0.62 CCNC(=O)CNC(=O)NNC 512a_100016993582_100016988866 [0,0,0,0,0,1|3,0,0]=4 1615 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,0,0,0,0,1|1,0,0]=2 1616 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,0,0,0,0,1|1,0,0]=2 1617 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,0,0,0,0,1|1,0,0]=2 1618 B11R0.62 CCNC(=O)NNC(=O)COC 273464a_100015525214_100000216845 [0,0,0,0,0,1|3,0,0]=4 1619 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,0,0,0,0,1|2,0,1]=4 1620 B11R0.62 CCOC(=O)C=CC(=O)CC#N 1458a_100000210415_100011214920 [0,0,0,0,0,1|1,0,2]=4 1621 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [0,0,0,0,0,1|1,0,1]=3 1622 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [0,0,0,0,0,1|1,0,1]=3 1623 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,0,0,0,0,1|1,0,1]=3 1624 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,0,0,0,0,1|1,0,0]=2 1625 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,0,0,0,0,1|1,0,0]=2 1626 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,0,0,0,0,1|2,0,1]=4 1627 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,0,0,0,0,1|2,0,1]=4 1628 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,0,0,0,0,1|2,0,1]=4 1629 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,0,0,0,0,1|3,0,0]=4 1630 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,0,0,0,0,1|3,0,0]=4 1631 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,0,0,0,0,1|3,0,0]=4 1632 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,0,0,0,0,1|3,0,0]=4 1633 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,0,0,0,0,1|3,0,0]=4 1634 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,0,0,0,0,1|3,0,0]=4 1635 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,0,0,0,0,1|3,0,0]=4 1636 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,0,0,0,0,1|3,0,0]=4 1637 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,0,0,0,0,1|3,0,0]=4 1638 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,0,0,0,0,1|3,0,0]=4 1639 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,0,0,0,0,1|1,0,0]=2 1640 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,0,0,0,0,1|1,0,0]=2 1641 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,0,0,0,0,1|1,0,0]=2 1642 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,0,0,0,0,1|1,0,0]=2 1643 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,0,0,0,0,1|1,0,0]=2 1644 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,0,0,0,0,1|1,0,0]=2 1645 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,0,0,0,0,1|1,0,0]=2 1646 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,0,0,0,0,1|1,0,0]=2 1647 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,0,0,0,0,1|1,0,0]=2 1648 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,0,0,0,0,1|1,0,0]=2 1649 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,0,0,0,0,1|2,0,1]=4 1650 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,0,0,0,0,1|2,0,1]=4 1651 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,0,0,0,0,1|2,0,1]=4 1652 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,0,0,0,0,1|2,0,1]=4 1653 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,0,0,0,0,1|2,0,1]=4 1654 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,0,0,0,0,1|2,0,1]=4 1655 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,0,0,0,0,1|2,0,1]=4 1656 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,0,0,0,0,1|2,0,1]=4 1657 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,0,0,0,0,1|2,0,1]=4 1658 B11R0.62 CCOC(=O)NCC(=O)CC#N 1458a_100000190774_100011214920 [0,0,0,0,0,1|1,0,1]=3 1659 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,0,0,0,0,1|1,0,0]=2 1660 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,0,0,0,0,1|1,0,0]=2 1661 B11R0.62 CCOC(=O)NCC(=O)NNC 22a_100016993582_100000190774 [0,0,0,0,0,1|2,0,0]=3 1662 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [2,0,0,0,0,0|0,0,2]=4 1663 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [2,0,0,0,0,0|0,0,1]=3 1664 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [2,0,0,0,0,0|1,0,1]=4 1665 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [2,0,0,0,0,0|1,0,1]=4 1666 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [2,0,0,0,0,0|1,0,1]=4 1667 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [2,0,0,0,0,0|0,0,2]=4 1668 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [2,0,0,0,0,0|1,0,1]=4 1669 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [2,0,0,0,0,0|0,0,2]=4 1670 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|1,0,1]=4 1671 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [2,0,0,0,0,0|0,0,1]=3 1672 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [2,0,0,0,0,0|0,0,1]=3 1673 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [2,0,0,0,0,0|1,0,1]=4 1674 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [2,0,0,0,0,0|1,0,1]=4 1675 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [2,0,0,0,0,0|1,0,1]=4 1676 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [2,0,0,0,0,0|1,0,1]=4 1677 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [2,0,0,0,0,0|1,0,1]=4 1678 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [2,0,0,0,0,0|1,0,1]=4 1679 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [2,0,0,0,0,0|1,0,1]=4 1680 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [2,0,0,0,0,0|1,0,1]=4 1681 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [2,0,0,0,0,0|0,0,2]=4 1682 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [2,0,0,0,0,0|0,0,1]=3 1683 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [2,0,0,0,0,0|1,0,1]=4 1684 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [2,0,0,0,0,0|1,0,1]=4 1685 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [2,0,0,0,0,0|1,0,1]=4 1686 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [2,0,0,0,0,0|1,0,1]=4 1687 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [2,0,0,0,0,0|0,0,1]=3 1688 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|1,0,1]=4 1689 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|1,0,1]=4 1690 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|0,0,1]=3 1691 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|0,0,1]=3 1692 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|0,1,1]=4 1693 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|0,1,1]=4 1694 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|1,0,0]=3 1695 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|0,0,0]=2 1696 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|0,1,0]=3 1697 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|0,1,0]=3 1698 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|0,1,0]=3 1699 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [2,0,0,0,0,0|1,1,0]=4 1700 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [2,0,0,0,0,0|1,1,0]=4 1701 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [2,0,0,0,0,0|2,0,0]=4 1702 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [2,0,0,0,0,0|1,0,1]=4 1703 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [2,0,0,0,0,0|1,0,1]=4 1704 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [2,0,0,0,0,0|1,0,1]=4 1705 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [2,0,0,0,0,0|1,0,1]=4 1706 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|0,0,1]=3 1707 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|0,0,1]=3 1708 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|1,0,1]=4 1709 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,1]=4 1710 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,1]=4 1711 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|1,0,1]=4 1712 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|1,0,1]=4 1713 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 1714 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 1715 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 1716 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [2,0,0,0,0,0|2,0,0]=4 1717 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 1718 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [2,0,0,0,0,0|1,0,1]=4 1719 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 1720 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [2,0,0,0,0,0|2,0,0]=4 1721 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1722 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1723 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1724 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|1,0,1]=4 1725 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 1726 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 1727 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 1728 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 1729 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 1730 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 1731 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 1732 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [2,0,0,0,0,0|1,0,1]=4 1733 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 1734 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [2,0,0,0,0,0|2,0,0]=4 1735 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 1736 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [2,0,0,0,0,0|2,0,0]=4 1737 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|1,0,1]=4 1738 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|1,0,1]=4 1739 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|1,0,1]=4 1740 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 1741 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 1742 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 1743 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [2,0,0,0,0,0|2,0,0]=4 1744 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [2,0,0,0,0,0|2,0,0]=4 1745 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [2,0,0,0,0,0|2,0,0]=4 1746 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [2,0,0,0,0,0|2,0,0]=4 1747 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|1,0,0]=3 1748 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|1,0,0]=3 1749 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|1,0,0]=3 1750 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|1,0,0]=3 1751 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|1,1,0]=4 1752 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|1,1,0]=4 1753 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|1,1,0]=4 1754 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|1,1,0]=4 1755 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|1,1,0]=4 1756 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 1757 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 1758 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|1,0,0]=3 1759 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 1760 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|1,0,0]=3 1761 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 1762 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|1,0,0]=3 1763 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|1,0,0]=3 1764 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|1,0,0]=3 1765 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|1,0,0]=3 1766 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|1,0,0]=3 1767 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|1,0,0]=3 1768 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|1,0,0]=3 1769 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [2,0,0,0,0,0|2,0,0]=4 1770 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [2,0,0,0,0,0|2,0,0]=4 1771 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [2,0,0,0,0,0|2,0,0]=4 1772 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [2,0,0,0,0,0|2,0,0]=4 1773 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [2,0,0,0,0,0|1,0,1]=4 1774 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [2,0,0,0,0,0|1,0,0]=3 1775 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [2,0,0,0,0,0|1,0,0]=3 1776 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [2,0,0,0,0,0|2,0,0]=4 1777 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [2,0,0,0,0,0|2,0,0]=4 1778 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|1,0,0]=3 1779 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [2,0,0,0,0,0|1,1,0]=4 1780 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [2,0,0,0,0,0|1,1,0]=4 1781 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [2,0,0,0,0,0|1,0,1]=4 1782 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [2,0,0,0,0,0|1,0,1]=4 1783 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [2,0,0,0,0,0|1,0,1]=4 1784 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [2,0,0,0,0,0|1,0,1]=4 1785 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [2,0,0,0,0,0|1,0,1]=4 1786 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [2,0,0,0,0,0|1,0,1]=4 1787 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [2,0,0,0,0,0|1,0,1]=4 1788 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|0,0,2]=4 1789 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|0,0,2]=4 1790 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|0,0,2]=4 1791 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|2,0,0]=4 1792 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|2,0,0]=4 1793 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|2,0,0]=4 1794 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|2,0,0]=4 1795 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [2,0,0,0,0,0|0,0,2]=4 1796 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [2,0,0,0,0,0|0,0,2]=4 1797 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,2]=4 1798 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,2]=4 1799 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,2]=4 1800 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1801 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1802 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1803 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,1]=4 1804 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1805 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,1]=4 1806 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1807 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1808 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1809 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,0,1]=4 1810 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,0,1]=4 1811 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1812 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|0,0,1]=3 1813 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [2,0,0,0,0,0|1,0,1]=4 1814 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [2,0,0,0,0,0|1,0,1]=4 1815 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [2,0,0,0,0,0|1,0,1]=4 1816 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [2,0,0,0,0,0|1,0,1]=4 1817 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [2,0,0,0,0,0|1,0,1]=4 1818 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|0,0,1]=3 1819 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [2,0,0,0,0,0|1,0,1]=4 1820 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|0,0,2]=4 1821 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [2,0,0,0,0,0|1,0,1]=4 1822 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,1]=4 1823 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,1]=4 1824 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,1]=4 1825 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,1]=4 1826 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,1]=4 1827 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,1]=4 1828 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [2,0,0,0,0,0|2,0,0]=4 1829 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [2,0,0,0,0,0|2,0,0]=4 1830 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [2,0,0,0,0,0|2,0,0]=4 1831 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [2,0,0,0,0,0|2,0,0]=4 1832 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [2,0,0,0,0,0|2,0,0]=4 1833 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [2,0,0,0,0,0|2,0,0]=4 1834 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [2,0,0,0,0,0|2,0,0]=4 1835 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [2,0,0,0,0,0|2,0,0]=4 1836 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [2,0,0,0,0,0|2,0,0]=4 1837 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [2,0,0,0,0,0|2,0,0]=4 1838 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [2,0,0,0,0,0|2,0,0]=4 1839 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [2,0,0,0,0,0|2,0,0]=4 1840 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|0,0,2]=4 1841 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|0,0,1]=3 1842 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [2,0,0,0,0,0|1,0,1]=4 1843 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [2,0,0,0,0,0|1,0,1]=4 1844 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [2,0,0,0,0,0|1,0,1]=4 1845 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [2,0,0,0,0,0|1,0,1]=4 1846 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,1]=3 1847 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,1]=3 1848 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,1]=4 1849 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,1]=4 1850 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,1]=4 1851 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 1852 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 1853 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 1854 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 1855 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 1856 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 1857 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 1858 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 1859 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 1860 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,0]=3 1861 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,0]=3 1862 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [2,0,0,0,0,0|2,0,0]=4 1863 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 1864 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 1865 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 1866 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 1867 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 1868 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 1869 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|1,0,0]=3 1870 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,0]=3 1871 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,0]=3 1872 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,0]=3 1873 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [2,0,0,0,0,0|2,0,0]=4 1874 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 1875 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 1876 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 1877 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 1878 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 1879 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 1880 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|1,0,0]=3 1881 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|1,0,0]=3 1882 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,1]=4 1883 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [2,0,0,0,0,0|0,0,1]=3 1884 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [2,0,0,0,0,0|1,0,1]=4 1885 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [2,0,0,0,0,0|1,0,1]=4 1886 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [2,0,0,0,0,0|1,0,1]=4 1887 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [2,0,0,0,0,0|1,0,1]=4 1888 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|0,0,1]=3 1889 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|0,0,1]=3 1890 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|1,0,1]=4 1891 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|1,0,1]=4 1892 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|1,0,1]=4 1893 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|1,0,1]=4 1894 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|1,0,1]=4 1895 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|1,0,1]=4 1896 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|1,0,1]=4 1897 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|1,0,1]=4 1898 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|1,0,1]=4 1899 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|0,1,1]=4 1900 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|0,1,1]=4 1901 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|1,0,1]=4 1902 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|1,0,1]=4 1903 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [2,0,0,0,0,0|1,0,1]=4 1904 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [2,0,0,0,0,0|1,0,1]=4 1905 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [2,0,0,0,0,0|1,0,1]=4 1906 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|1,0,1]=4 1907 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|1,0,1]=4 1908 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|1,0,1]=4 1909 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [2,0,0,0,0,0|1,0,1]=4 1910 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [2,0,0,0,0,0|1,0,1]=4 1911 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [2,0,0,0,0,0|1,0,1]=4 1912 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [2,0,0,0,0,0|1,0,1]=4 1913 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|1,0,1]=4 1914 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|1,0,1]=4 1915 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|1,0,1]=4 1916 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|1,0,1]=4 1917 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [2,0,0,0,0,0|2,0,0]=4 1918 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [2,0,0,0,0,0|2,0,0]=4 1919 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [2,0,0,0,0,0|2,0,0]=4 1920 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 1921 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [2,0,0,0,0,0|2,0,0]=4 1922 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [2,0,0,0,0,0|2,0,0]=4 1923 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [2,0,0,0,0,0|2,0,0]=4 1924 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 1925 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [2,0,0,0,0,0|2,0,0]=4 1926 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [2,0,0,0,0,0|2,0,0]=4 1927 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [2,0,0,0,0,0|2,0,0]=4 1928 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [2,0,0,0,0,0|1,0,1]=4 1929 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|1,0,1]=4 1930 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [2,0,0,0,0,0|2,0,0]=4 1931 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [2,0,0,0,0,0|2,0,0]=4 1932 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [2,0,0,0,0,0|1,0,0]=3 1933 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [2,0,0,0,0,0|2,0,0]=4 1934 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [2,0,0,0,0,0|2,0,0]=4 1935 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [2,0,0,0,0,0|2,0,0]=4 1936 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [2,0,0,0,0,0|1,0,0]=3 1937 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [2,0,0,0,0,0|1,0,0]=3 1938 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [2,0,0,0,0,0|1,0,1]=4 1939 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [2,0,0,0,0,0|0,0,2]=4 1940 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [2,0,0,0,0,0|2,0,0]=4 1941 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [2,0,0,0,0,0|2,0,0]=4 1942 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [2,0,0,0,0,0|1,0,1]=4 1943 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [2,0,0,0,0,0|1,0,1]=4 1944 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [2,0,0,0,0,0|1,0,1]=4 1945 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [2,0,0,0,0,0|1,0,1]=4 1946 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [2,0,0,0,0,0|1,0,1]=4 1947 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [2,0,0,0,0,0|0,0,0]=2 1948 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [2,0,0,0,0,0|1,0,0]=3 1949 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [2,0,0,0,0,0|1,0,0]=3 1950 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [2,0,0,0,0,0|0,0,1]=3 1951 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [2,0,0,0,0,0|1,0,1]=4 1952 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [2,0,0,0,0,0|1,0,1]=4 1953 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [2,0,0,0,0,0|0,0,2]=4 1954 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [2,0,0,0,0,0|2,0,0]=4 1955 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [2,0,0,0,0,0|2,0,0]=4 1956 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [2,0,0,0,0,0|2,0,0]=4 1957 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [2,0,0,0,0,0|0,0,2]=4 1958 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [2,0,0,0,0,0|1,0,1]=4 1959 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [2,0,0,0,0,0|2,0,0]=4 1960 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [2,0,0,0,0,0|1,0,1]=4 1961 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [2,0,0,0,0,0|1,0,1]=4 1962 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [2,0,0,0,0,0|1,0,1]=4 1963 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [2,0,0,0,0,0|2,0,0]=4 1964 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [2,0,0,0,0,0|1,0,0]=3 1965 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [2,0,0,0,0,0|1,0,0]=3 1966 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [2,0,0,0,0,0|1,0,0]=3 1967 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [2,0,0,0,0,0|2,0,0]=4 1968 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [2,0,0,0,0,0|2,0,0]=4 1969 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [2,0,0,0,0,0|0,0,0]=2 1970 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [2,0,0,0,0,0|0,0,0]=2 1971 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [2,0,0,0,0,0|0,0,0]=2 1972 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [2,0,0,0,0,0|2,0,0]=4 1973 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 1974 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [2,0,0,0,0,0|2,0,0]=4 1975 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [2,0,0,0,0,0|2,0,0]=4 1976 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [2,0,0,0,0,0|2,0,0]=4 1977 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [2,0,0,0,0,0|2,0,0]=4 1978 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [2,0,0,0,0,0|1,0,1]=4 1979 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [2,0,0,0,0,0|2,0,0]=4 1980 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [2,0,0,0,0,0|1,0,1]=4 1981 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [2,0,0,0,0,0|2,0,0]=4 1982 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [2,0,0,0,0,0|2,0,0]=4 1983 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [2,0,0,0,0,0|2,0,0]=4 1984 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [2,0,0,0,0,0|2,0,0]=4 1985 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [2,0,0,0,0,0|1,0,1]=4 1986 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [2,0,0,0,0,0|0,0,2]=4 1987 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [2,0,0,0,0,0|0,0,2]=4 1988 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [2,0,0,0,0,0|0,0,2]=4 1989 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [2,0,0,0,0,0|0,0,2]=4 1990 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [2,0,0,0,0,0|1,0,1]=4 1991 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [2,0,0,0,0,0|0,0,0]=2 1992 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [2,0,0,0,0,0|1,0,0]=3 1993 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [2,0,0,0,0,0|1,0,0]=3 1994 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [2,0,0,0,0,0|0,0,0]=2 1995 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [2,0,0,0,0,0|0,0,0]=2 1996 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [2,0,0,0,0,0|1,0,1]=4 1997 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [2,0,0,0,0,0|1,0,1]=4 1998 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [2,0,0,0,0,0|0,0,2]=4 1999 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [2,0,0,0,0,0|0,0,2]=4 2000 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [2,0,0,0,0,0|2,0,0]=4 2001 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [2,0,0,0,0,0|2,0,0]=4 2002 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [2,0,0,0,0,0|1,0,1]=4 2003 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [2,0,0,0,0,0|2,0,0]=4 2004 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [2,0,0,0,0,0|2,0,0]=4 2005 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [2,0,0,0,0,0|2,0,0]=4 2006 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [2,0,0,0,0,0|2,0,0]=4 2007 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [2,0,0,0,0,0|1,0,0]=3 2008 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [2,0,0,0,0,0|1,0,0]=3 2009 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [2,0,0,0,0,0|1,0,0]=3 2010 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [1,1,0,0,0,0|1,0,1]=4 2011 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [1,1,0,0,0,0|1,0,1]=4 2012 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [1,1,0,0,0,0|1,0,1]=4 2013 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [1,1,0,0,0,0|1,0,1]=4 2014 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [1,1,0,0,0,0|0,0,2]=4 2015 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [1,1,0,0,0,0|0,0,2]=4 2016 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [1,1,0,0,0,0|1,0,1]=4 2017 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [1,1,0,0,0,0|1,0,1]=4 2018 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [1,1,0,0,0,0|1,0,1]=4 2019 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [1,1,0,0,0,0|1,0,1]=4 2020 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [1,1,0,0,0,0|1,0,1]=4 2021 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [1,1,0,0,0,0|1,0,1]=4 2022 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [1,1,0,0,0,0|1,0,1]=4 2023 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [1,1,0,0,0,0|0,0,2]=4 2024 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [1,1,0,0,0,0|1,0,1]=4 2025 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [1,1,0,0,0,0|1,0,1]=4 2026 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [1,1,0,0,0,0|1,0,1]=4 2027 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [1,1,0,0,0,0|1,0,1]=4 2028 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [1,1,0,0,0,0|1,0,1]=4 2029 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|1,0,0]=3 2030 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,1,0,0,0,0|2,0,0]=4 2031 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [1,1,0,0,0,0|2,0,0]=4 2032 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [1,1,0,0,0,0|2,0,0]=4 2033 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [1,1,0,0,0,0|1,0,1]=4 2034 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [1,1,0,0,0,0|1,0,1]=4 2035 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,1,0,0,0,0|1,0,0]=3 2036 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [1,1,0,0,0,0|2,0,0]=4 2037 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [1,1,0,0,0,0|2,0,0]=4 2038 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,1,0,0,0,0|1,0,0]=3 2039 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,1,0,0,0,0|1,0,0]=3 2040 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,1,0,0,0,0|1,0,0]=3 2041 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [1,1,0,0,0,0|2,0,0]=4 2042 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,1]=4 2043 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|1,0,1]=4 2044 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|1,0,1]=4 2045 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|1,0,1]=4 2046 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|0,0,1]=3 2047 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [1,1,0,0,0,0|0,0,2]=4 2048 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|0,0,1]=3 2049 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|0,0,1]=3 2050 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,1,0,0,0,0|2,0,0]=4 2051 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,1,0,0,0,0|2,0,0]=4 2052 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,1,0,0,0,0|2,0,0]=4 2053 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,1,0,0,0,0|2,0,0]=4 2054 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,1,0,0,0,0|2,0,0]=4 2055 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,1,0,0,0,0|2,0,0]=4 2056 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,1,0,0,0,0|2,0,0]=4 2057 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,1,0,0,0,0|2,0,0]=4 2058 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,1,0,0,0,0|2,0,0]=4 2059 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,1,0,0,0,0|2,0,0]=4 2060 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,1,0,0,0,0|2,0,0]=4 2061 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,1,0,0,0,0|2,0,0]=4 2062 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,1,0,0,0,0|2,0,0]=4 2063 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,1,0,0,0,0|0,0,1]=3 2064 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,1,0,0,0,0|0,0,1]=3 2065 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,1,0,0,0,0|0,0,1]=3 2066 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,1,0,0,0,0|0,0,1]=3 2067 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,1,0,0,0,0|0,0,1]=3 2068 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,1,0,0,0,0|0,0,1]=3 2069 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,1,0,0,0,0|0,1,1]=4 2070 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,1,0,0,0,0|0,1,1]=4 2071 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,1,0,0,0,0|0,1,1]=4 2072 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,1,0,0,0,0|0,1,1]=4 2073 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [1,1,0,0,0,0|1,0,1]=4 2074 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [1,1,0,0,0,0|1,0,1]=4 2075 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [1,1,0,0,0,0|2,0,0]=4 2076 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,1,0,0,0,0|1,0,1]=4 2077 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,1,0,0,0,0|1,0,1]=4 2078 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,1,0,0,0,0|1,0,1]=4 2079 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|1,0,1]=4 2080 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|1,0,1]=4 2081 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 2082 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 2083 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 2084 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 2085 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 2086 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 2087 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|1,0,1]=4 2088 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,1,0,0,0,0|1,0,1]=4 2089 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,1,0,0,0,0|1,0,1]=4 2090 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,1,0,0,0,0|1,0,1]=4 2091 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,1,0,0,0,0|1,0,1]=4 2092 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,1,0,0,0,0|1,0,1]=4 2093 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,1,0,0,0,0|1,0,1]=4 2094 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|1,0,1]=4 2095 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|1,0,1]=4 2096 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,1,0,0,0,0|1,0,1]=4 2097 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,1,0,0,0,0|1,0,1]=4 2098 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,1,0,0,0,0|1,0,1]=4 2099 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,1,0,0,0,0|0,0,1]=3 2100 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,1,0,0,0,0|0,0,1]=3 2101 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|1,0,1]=4 2102 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|1,0,1]=4 2103 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|1,0,1]=4 2104 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,1,0,0,0,0|1,0,1]=4 2105 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,1,0,0,0,0|1,0,1]=4 2106 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,1,0,0,0,0|1,0,1]=4 2107 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,1,0,0,0,0|1,0,1]=4 2108 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,1,0,0,0,0|1,0,1]=4 2109 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,1,0,0,0,0|0,0,1]=3 2110 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,1,0,0,0,0|0,0,1]=3 2111 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|1,0,1]=4 2112 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|1,0,1]=4 2113 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|1,0,1]=4 2114 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,1,0,0,0,0|1,0,1]=4 2115 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,1,0,0,0,0|1,0,1]=4 2116 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,1,0,0,0,0|1,0,1]=4 2117 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,1,0,0,0,0|1,0,1]=4 2118 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,1,0,0,0,0|1,0,1]=4 2119 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,1,0,0,0,0|0,0,1]=3 2120 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,1,0,0,0,0|0,0,1]=3 2121 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,1,0,0,0,0|1,0,1]=4 2122 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [1,1,0,0,0,0|1,0,1]=4 2123 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|0,0,1]=3 2124 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|1,0,1]=4 2125 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,1,0,0,0,0|1,0,1]=4 2126 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,1,0,0,0,0|1,0,1]=4 2127 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|0,0,1]=3 2128 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,1,0,0,0,0|1,0,1]=4 2129 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,1,0,0,0,0|1,0,1]=4 2130 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,1,0,0,0,0|1,0,1]=4 2131 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,1,0,0,0,0|0,0,1]=3 2132 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,1,0,0,0,0|0,0,1]=3 2133 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,1,0,0,0,0|2,0,0]=4 2134 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,1,0,0,0,0|1,0,0]=3 2135 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|1,0,1]=4 2136 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [1,1,0,0,0,0|1,0,1]=4 2137 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [1,1,0,0,0,0|2,0,0]=4 2138 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [1,1,0,0,0,0|2,0,0]=4 2139 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [1,1,0,0,0,0|2,0,0]=4 2140 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [1,1,0,0,0,0|2,0,0]=4 2141 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [1,1,0,0,0,0|2,0,0]=4 2142 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [1,1,0,0,0,0|2,0,0]=4 2143 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [1,1,0,0,0,0|2,0,0]=4 2144 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [1,1,0,0,0,0|2,0,0]=4 2145 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [1,1,0,0,0,0|2,0,0]=4 2146 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [1,1,0,0,0,0|2,0,0]=4 2147 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [1,1,0,0,0,0|2,0,0]=4 2148 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [1,1,0,0,0,0|2,0,0]=4 2149 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 2150 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 2151 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [1,1,0,0,0,0|2,0,0]=4 2152 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 2153 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 2154 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 2155 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [1,1,0,0,0,0|2,0,0]=4 2156 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [1,1,0,0,0,0|2,0,0]=4 2157 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [1,1,0,0,0,0|2,0,0]=4 2158 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [1,1,0,0,0,0|2,0,0]=4 2159 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [1,1,0,0,0,0|2,0,0]=4 2160 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [1,1,0,0,0,0|2,0,0]=4 2161 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [1,1,0,0,0,0|2,0,0]=4 2162 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [1,1,0,0,0,0|2,0,0]=4 2163 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [1,1,0,0,0,0|1,0,1]=4 2164 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [1,1,0,0,0,0|1,0,1]=4 2165 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,1,0,0,0,0|1,0,1]=4 2166 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,1,0,0,0,0|1,0,1]=4 2167 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,1,0,0,0,0|1,0,1]=4 2168 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,1,0,0,0,0|1,0,1]=4 2169 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,1,0,0,0,0|1,0,1]=4 2170 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,1,0,0,0,0|1,0,1]=4 2171 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [1,1,0,0,0,0|0,0,1]=3 2172 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,1,0,0,0,0|0,0,1]=3 2173 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [1,1,0,0,0,0|1,0,1]=4 2174 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [1,1,0,0,0,0|0,0,1]=3 2175 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [1,1,0,0,0,0|0,0,1]=3 2176 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [1,1,0,0,0,0|1,0,1]=4 2177 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [1,1,0,0,0,0|1,0,1]=4 2178 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,1,0,0,0,0|0,0,1]=3 2179 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,1,0,0,0,0|0,0,1]=3 2180 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,1,0,0,0,0|0,0,1]=3 2181 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|0,0,1]=3 2182 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,1,0,0,0,0|0,0,1]=3 2183 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,1,0,0,0,0|0,0,1]=3 2184 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,1,0,0,0,0|0,0,1]=3 2185 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,1,0,0,0,0|0,0,1]=3 2186 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,1,0,0,0,0|1,0,1]=4 2187 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,1,0,0,0,0|0,0,1]=3 2188 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,1,0,0,0,0|0,0,1]=3 2189 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,1,0,0,0,0|1,0,1]=4 2190 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,1,0,0,0,0|1,0,1]=4 2191 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,1,0,0,0,0|1,0,1]=4 2192 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,1,0,0,0,0|1,0,1]=4 2193 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,1,0,0,0,0|1,0,1]=4 2194 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,1,0,0,0,0|1,0,1]=4 2195 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,1,0,0,0,0|1,0,1]=4 2196 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,1,0,0,0,0|1,0,1]=4 2197 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,1,0,0,0,0|1,0,1]=4 2198 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,1,0,0,0,0|1,0,1]=4 2199 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,1,0,0,0,0|1,0,1]=4 2200 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,1,0,0,0,0|1,0,1]=4 2201 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,1,0,0,0,0|1,0,1]=4 2202 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,1,0,0,0,0|1,0,1]=4 2203 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,1,0,0,0,0|1,0,1]=4 2204 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,1,0,0,0,0|1,0,0]=3 2205 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,1,0,0,0,0|1,0,0]=3 2206 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,1,0,0,0,0|1,0,0]=3 2207 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,1,0,0,0,0|1,0,0]=3 2208 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,1,0,0,0,0|1,0,0]=3 2209 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,1,0,0,0,0|1,0,0]=3 2210 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,1,0,0,0,0|1,0,0]=3 2211 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,1,0,0,0,0|1,0,0]=3 2212 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,1,0,0,0,0|1,0,0]=3 2213 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,1,0,0,0,0|1,0,0]=3 2214 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,1,0,0,0,0|1,0,0]=3 2215 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,1,0,0,0,0|1,0,0]=3 2216 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,1,0,0,0,0|1,0,0]=3 2217 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [1,1,0,0,0,0|2,0,0]=4 2218 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,1,0,0,0,0|1,0,0]=3 2219 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,1,0,0,0,0|1,0,0]=3 2220 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,1,0,0,0,0|1,0,0]=3 2221 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,1,0,0,0,0|1,0,0]=3 2222 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,1,0,0,0,0|1,0,0]=3 2223 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,1,0,0,0,0|1,0,0]=3 2224 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [1,1,0,0,0,0|1,0,1]=4 2225 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [1,1,0,0,0,0|1,0,1]=4 2226 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,1,0,0,0,0|1,0,0]=3 2227 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,1,0,0,0,0|1,0,0]=3 2228 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,1,0,0,0,0|1,0,0]=3 2229 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,1,0,0,0,0|1,0,0]=3 2230 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,1,0,0,0,0|1,0,0]=3 2231 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,1,0,0,0,0|1,0,0]=3 2232 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,1,0,0,0,0|1,0,0]=3 2233 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,1,0,0,0,0|1,0,0]=3 2234 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,1,0,0,0,0|1,0,0]=3 2235 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,1,0,0,0,0|1,0,0]=3 2236 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,1,0,0,0,0|1,0,1]=4 2237 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [1,1,0,0,0,0|2,0,0]=4 2238 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [1,1,0,0,0,0|2,0,0]=4 2239 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [1,1,0,0,0,0|2,0,0]=4 2240 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,1,0,0,0,0|2,0,0]=4 2241 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [1,1,0,0,0,0|2,0,0]=4 2242 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [1,1,0,0,0,0|2,0,0]=4 2243 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [1,1,0,0,0,0|0,0,1]=3 2244 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|1,0,1]=4 2245 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,1,0,0,0,0|1,0,1]=4 2246 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,1,0,0,0,0|1,0,1]=4 2247 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,1,0,0,0,0|0,0,1]=3 2248 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,1,0,0,0,0|0,0,1]=3 2249 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [1,1,0,0,0,0|1,0,1]=4 2250 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [1,1,0,0,0,0|1,0,1]=4 2251 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [1,1,0,0,0,0|1,0,1]=4 2252 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [1,1,0,0,0,0|1,0,1]=4 2253 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [1,1,0,0,0,0|1,0,1]=4 2254 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [1,1,0,0,0,0|1,0,1]=4 2255 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [1,1,0,0,0,0|1,0,1]=4 2256 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [1,1,0,0,0,0|1,0,1]=4 2257 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [1,1,0,0,0,0|1,0,1]=4 2258 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,1,0,0,0,0|1,0,1]=4 2259 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [1,1,0,0,0,0|1,0,1]=4 2260 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [1,1,0,0,0,0|1,0,1]=4 2261 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [1,1,0,0,0,0|1,0,1]=4 2262 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [1,1,0,0,0,0|1,0,1]=4 2263 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [1,1,0,0,0,0|1,0,1]=4 2264 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [1,1,0,0,0,0|1,0,1]=4 2265 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [1,1,0,0,0,0|1,0,1]=4 2266 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [1,1,0,0,0,0|1,0,1]=4 2267 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,1,0,0,0,0|1,0,0]=3 2268 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,1,0,0,0,0|1,0,0]=3 2269 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [1,1,0,0,0,0|1,0,1]=4 2270 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [1,1,0,0,0,0|1,0,1]=4 2271 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [1,1,0,0,0,0|1,0,1]=4 2272 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [1,1,0,0,0,0|1,0,1]=4 2273 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [1,1,0,0,0,0|1,0,1]=4 2274 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [1,1,0,0,0,0|1,0,1]=4 2275 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [1,1,0,0,0,0|1,0,1]=4 2276 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [1,1,0,0,0,0|1,0,1]=4 2277 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [1,1,0,0,0,0|2,0,0]=4 2278 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [1,1,0,0,0,0|2,0,0]=4 2279 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [1,1,0,0,0,0|1,0,1]=4 2280 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [1,1,0,0,0,0|1,0,0]=3 2281 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,1,0,0,0,0|1,0,1]=4 2282 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,1,0,0,0,0|1,0,1]=4 2283 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|1,0,1]=4 2284 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|0,0,2]=4 2285 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,1,0,0,0,0|0,0,1]=3 2286 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [1,1,0,0,0,0|0,1,1]=4 2287 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [1,1,0,0,0,0|2,0,0]=4 2288 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [1,1,0,0,0,0|2,0,0]=4 2289 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,1,0,0,0,0|2,0,0]=4 2290 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [1,1,0,0,0,0|2,0,0]=4 2291 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [1,1,0,0,0,0|2,0,0]=4 2292 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [1,1,0,0,0,0|2,0,0]=4 2293 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [1,1,0,0,0,0|2,0,0]=4 2294 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [1,1,0,0,0,0|2,0,0]=4 2295 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [1,1,0,0,0,0|2,0,0]=4 2296 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [1,1,0,0,0,0|1,0,1]=4 2297 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [1,1,0,0,0,0|1,0,1]=4 2298 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [1,1,0,0,0,0|1,0,1]=4 2299 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [1,1,0,0,0,0|1,0,1]=4 2300 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [1,1,0,0,0,0|1,0,1]=4 2301 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [1,1,0,0,0,0|1,0,1]=4 2302 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,1]=4 2303 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 2304 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [1,1,0,0,0,0|2,0,0]=4 2305 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [1,1,0,0,0,0|2,0,0]=4 2306 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 2307 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 2308 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [1,1,0,0,0,0|2,0,0]=4 2309 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 2310 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [1,1,0,0,0,0|2,0,0]=4 2311 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [1,1,0,0,0,0|2,0,0]=4 2312 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 2313 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 2314 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [1,1,0,0,0,0|2,0,0]=4 2315 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 2316 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [1,1,0,0,0,0|2,0,0]=4 2317 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [1,1,0,0,0,0|2,0,0]=4 2318 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [1,1,0,0,0,0|2,0,0]=4 2319 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [1,1,0,0,0,0|2,0,0]=4 2320 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [1,1,0,0,0,0|2,0,0]=4 2321 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [1,1,0,0,0,0|2,0,0]=4 2322 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [1,1,0,0,0,0|2,0,0]=4 2323 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [1,1,0,0,0,0|2,0,0]=4 2324 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [1,1,0,0,0,0|2,0,0]=4 2325 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [1,1,0,0,0,0|1,0,1]=4 2326 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [1,1,0,0,0,0|1,0,1]=4 2327 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|0,0,2]=4 2328 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|0,0,2]=4 2329 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|0,0,2]=4 2330 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [1,1,0,0,0,0|1,0,1]=4 2331 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [1,1,0,0,0,0|1,0,1]=4 2332 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [1,1,0,0,0,0|1,0,1]=4 2333 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [1,1,0,0,0,0|1,0,1]=4 2334 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [1,1,0,0,0,0|1,0,1]=4 2335 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [1,1,0,0,0,0|1,0,1]=4 2336 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [1,1,0,0,0,0|1,0,1]=4 2337 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 2338 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 2339 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 2340 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 2341 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [1,1,0,0,0,0|2,0,0]=4 2342 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [1,1,0,0,0,0|1,0,1]=4 2343 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [1,1,0,0,0,0|1,0,0]=3 2344 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,1,0,0,0,0|1,0,0]=3 2345 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [1,1,0,0,0,0|1,0,0]=3 2346 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [1,1,0,0,0,0|2,0,0]=4 2347 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [1,1,0,0,0,0|1,0,0]=3 2348 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [1,1,0,0,0,0|1,0,0]=3 2349 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [1,1,0,0,0,0|1,0,0]=3 2350 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [1,1,0,0,0,0|1,0,0]=3 2351 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [1,1,0,0,0,0|1,0,0]=3 2352 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [1,1,0,0,0,0|1,0,0]=3 2353 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [1,1,0,0,0,0|2,0,0]=4 2354 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [1,1,0,0,0,0|2,0,0]=4 2355 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [1,1,0,0,0,0|1,0,0]=3 2356 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [1,1,0,0,0,0|1,0,0]=3 2357 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [1,1,0,0,0,0|1,0,1]=4 2358 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [1,1,0,0,0,0|1,0,1]=4 2359 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [1,1,0,0,0,0|1,0,1]=4 2360 B10R0.6 C=C(C)CC(=O)C=COCC 1458a_100016266692_100000748629 [1,1,0,0,0,0|0,0,2]=4 2361 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [1,1,0,0,0,0|0,0,2]=4 2362 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [1,1,0,0,0,0|2,0,0]=4 2363 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [1,1,0,0,0,0|2,0,0]=4 2364 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [1,1,0,0,0,0|2,0,0]=4 2365 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 2366 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [1,1,0,0,0,0|2,0,0]=4 2367 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [1,1,0,0,0,0|2,0,0]=4 2368 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [1,1,0,0,0,0|2,0,0]=4 2369 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 2370 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [1,1,0,0,0,0|2,0,0]=4 2371 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [1,1,0,0,0,0|1,0,0]=3 2372 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [1,1,0,0,0,0|1,0,0]=3 2373 B10R0.6 CC/C=C/CC(=O)CC(F)F 1458a_100016274230_100011934356 [1,1,0,0,0,0|2,0,0]=4 2374 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [1,1,0,0,0,0|1,0,1]=4 2375 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [1,1,0,0,0,0|1,0,1]=4 2376 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [1,1,0,0,0,0|1,0,1]=4 2377 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [1,1,0,0,0,0|1,0,1]=4 2378 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [1,1,0,0,0,0|1,0,0]=3 2379 B10R0.6 CC/C=C\CC(=O)CN(C)C 1458a_100000750896_100103147603 [1,1,0,0,0,0|2,0,0]=4 2380 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [1,1,0,0,0,0|1,0,0]=3 2381 B10R0.6 CC/C=C\CC(=O)C[S+](C)C 1458a_200159257847_100103147603 [1,1,0,0,0,0|2,0,0]=4 2382 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [1,1,0,0,0,0|1,0,1]=4 2383 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [1,1,0,0,0,0|1,0,1]=4 2384 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [1,1,0,0,0,0|1,0,1]=4 2385 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [1,1,0,0,0,0|1,0,1]=4 2386 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [1,1,0,0,0,0|1,0,1]=4 2387 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [1,1,0,0,0,0|1,0,1]=4 2388 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [1,1,0,0,0,0|1,0,1]=4 2389 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|1,0,1]=4 2390 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|1,0,1]=4 2391 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|1,0,1]=4 2392 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|1,0,1]=4 2393 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 2394 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 2395 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 2396 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 2397 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [1,1,0,0,0,0|2,0,0]=4 2398 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [1,1,0,0,0,0|2,0,0]=4 2399 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,1,0,0,0,0|2,0,0]=4 2400 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2401 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2402 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2403 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [1,1,0,0,0,0|2,0,0]=4 2404 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 2405 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [1,1,0,0,0,0|1,0,0]=3 2406 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [1,1,0,0,0,0|2,0,0]=4 2407 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [1,1,0,0,0,0|2,0,0]=4 2408 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2409 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2410 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2411 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 2412 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [1,1,0,0,0,0|2,0,0]=4 2413 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [1,1,0,0,0,0|2,0,0]=4 2414 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [1,1,0,0,0,0|1,0,0]=3 2415 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [1,1,0,0,0,0|1,0,0]=3 2416 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [1,1,0,0,0,0|1,0,1]=4 2417 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [1,1,0,0,0,0|0,0,1]=3 2418 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [1,1,0,0,0,0|0,0,1]=3 2419 B10R0.6 CCOC=CC(=O)CC(F)F 1458a_100016266692_100011934356 [1,1,0,0,0,0|1,0,1]=4 2420 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [1,1,0,0,0,0|1,0,1]=4 2421 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [1,1,0,0,0,0|1,0,1]=4 2422 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [1,1,0,0,0,0|1,0,1]=4 2423 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [1,1,0,0,0,0|0,0,1]=3 2424 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [1,1,0,0,0,0|0,0,1]=3 2425 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,1,0,0,0,0|0,0,1]=3 2426 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [1,1,0,0,0,0|1,0,1]=4 2427 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [1,1,0,0,0,0|1,0,1]=4 2428 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,1,0,0,0,0|0,0,1]=3 2429 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [1,1,0,0,0,0|1,0,1]=4 2430 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 2431 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 2432 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 2433 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [1,1,0,0,0,0|1,0,1]=4 2434 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [1,1,0,0,0,0|0,1,1]=4 2435 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [1,1,0,0,0,0|0,1,1]=4 2436 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [1,1,0,0,0,0|0,1,1]=4 2437 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [1,1,0,0,0,0|0,1,1]=4 2438 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [1,1,0,0,0,0|1,0,1]=4 2439 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [1,1,0,0,0,0|1,0,1]=4 2440 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [1,1,0,0,0,0|2,0,0]=4 2441 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [1,1,0,0,0,0|2,0,0]=4 2442 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [1,1,0,0,0,0|2,0,0]=4 2443 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [1,1,0,0,0,0|2,0,0]=4 2444 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [1,1,0,0,0,0|1,0,1]=4 2445 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [1,1,0,0,0,0|1,0,1]=4 2446 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [1,1,0,0,0,0|1,0,1]=4 2447 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|1,0,1]=4 2448 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|1,0,1]=4 2449 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|1,0,1]=4 2450 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|1,0,1]=4 2451 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|1,0,1]=4 2452 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|1,0,1]=4 2453 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|1,0,1]=4 2454 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|1,0,1]=4 2455 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 2456 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 2457 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 2458 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 2459 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 2460 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [1,1,0,0,0,0|1,1,0]=4 2461 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [1,1,0,0,0,0|2,0,0]=4 2462 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,1,0,0,0,0|1,0,0]=3 2463 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,1,0,0,0,0|1,0,0]=3 2464 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,1,0,0,0,0|1,0,0]=3 2465 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [1,1,0,0,0,0|2,0,0]=4 2466 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [1,1,0,0,0,0|2,0,0]=4 2467 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,1,0,0,0,0|1,0,0]=3 2468 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,1,0,0,0,0|1,0,0]=3 2469 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,1,0,0,0,0|1,0,0]=3 2470 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,1,0,0,0,0|1,0,0]=3 2471 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [1,1,0,0,0,0|2,0,0]=4 2472 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [1,1,0,0,0,0|2,0,0]=4 2473 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [1,1,0,0,0,0|2,0,0]=4 2474 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 2475 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [1,1,0,0,0,0|2,0,0]=4 2476 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [1,1,0,0,0,0|2,0,0]=4 2477 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [1,1,0,0,0,0|2,0,0]=4 2478 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 2479 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [1,1,0,0,0,0|2,0,0]=4 2480 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [1,1,0,0,0,0|2,0,0]=4 2481 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [1,1,0,0,0,0|2,0,0]=4 2482 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [1,1,0,0,0,0|2,0,0]=4 2483 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [1,1,0,0,0,0|2,0,0]=4 2484 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [1,1,0,0,0,0|2,0,0]=4 2485 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [1,1,0,0,0,0|2,0,0]=4 2486 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [1,1,0,0,0,0|2,0,0]=4 2487 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 2488 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [1,1,0,0,0,0|2,0,0]=4 2489 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [1,1,0,0,0,0|2,0,0]=4 2490 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [1,1,0,0,0,0|2,0,0]=4 2491 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 2492 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [1,1,0,0,0,0|2,0,0]=4 2493 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [1,1,0,0,0,0|2,0,0]=4 2494 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [1,1,0,0,0,0|2,0,0]=4 2495 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [1,1,0,0,0,0|2,0,0]=4 2496 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [1,1,0,0,0,0|2,0,0]=4 2497 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [1,1,0,0,0,0|2,0,0]=4 2498 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [1,1,0,0,0,0|2,0,0]=4 2499 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [1,1,0,0,0,0|1,0,0]=3 2500 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [1,1,0,0,0,0|1,0,1]=4 2501 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [1,1,0,0,0,0|1,0,1]=4 2502 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [1,1,0,0,0,0|1,0,1]=4 2503 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [1,1,0,0,0,0|1,0,1]=4 2504 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [1,1,0,0,0,0|1,0,0]=3 2505 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [1,1,0,0,0,0|2,0,0]=4 2506 B10R0.83 CC/C=C\CC(=O)C(C)SC 1458a_100000149566_100103147603 [1,1,0,0,0,0|2,0,0]=4 2507 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [1,1,0,0,0,0|1,0,0]=3 2508 B10R0.83 CC/C=C\CC(=O)C(O)CO 1458a_100011215603_100103147603 [1,1,0,0,0,0|2,0,0]=4 2509 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [1,1,0,0,0,0|1,0,1]=4 2510 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [1,1,0,0,0,0|1,0,1]=4 2511 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [1,1,0,0,0,0|1,0,1]=4 2512 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [1,1,0,0,0,0|1,0,1]=4 2513 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [1,1,0,0,0,0|1,0,1]=4 2514 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [1,1,0,0,0,0|1,0,1]=4 2515 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|1,0,1]=4 2516 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|1,0,1]=4 2517 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|1,0,1]=4 2518 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 2519 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 2520 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 2521 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 2522 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,1,0,0,0,0|2,0,0]=4 2523 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2524 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2525 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2526 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [1,1,0,0,0,0|2,0,0]=4 2527 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 2528 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,1,0,0,0,0|2,0,0]=4 2529 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2530 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2531 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2532 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 2533 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [1,1,0,0,0,0|2,0,0]=4 2534 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [1,1,0,0,0,0|2,0,0]=4 2535 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [1,1,0,0,0,0|0,0,1]=3 2536 B10R0.83 CCOC=CC(=O)N(C)CC 11a_100000225621_100016266692 [1,1,0,0,0,0|1,0,1]=4 2537 B10R0.83 CCOC=CC(=O)N(C)CC 1626a_100000225621_100016266692 [1,1,0,0,0,0|1,0,1]=4 2538 B10R0.83 CCOC=CC(=O)N(C)CC 240690a_100000225621_100016266692 [1,1,0,0,0,0|1,0,1]=4 2539 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|0,0,1]=3 2540 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|0,0,1]=3 2541 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [1,1,0,0,0,0|1,0,1]=4 2542 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [1,1,0,0,0,0|1,0,1]=4 2543 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|0,0,1]=3 2544 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [1,1,0,0,0,0|1,0,1]=4 2545 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 2546 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 2547 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 2548 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [1,1,0,0,0,0|1,0,1]=4 2549 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,1,0,0,0,0|0,1,1]=4 2550 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,1,0,0,0,0|0,1,1]=4 2551 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|0,1,1]=4 2552 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [1,1,0,0,0,0|1,0,1]=4 2553 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [1,1,0,0,0,0|1,0,1]=4 2554 B10R0.91 C#CCCC(=O)C=COCC 1458a_100016266692_100000753159 [1,1,0,0,0,0|0,0,2]=4 2555 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [1,1,0,0,0,0|0,0,2]=4 2556 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [1,1,0,0,0,0|0,0,2]=4 2557 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [1,1,0,0,0,0|0,0,2]=4 2558 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [1,1,0,0,0,0|0,0,2]=4 2559 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [1,1,0,0,0,0|1,0,1]=4 2560 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [1,1,0,0,0,0|0,0,2]=4 2561 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [1,1,0,0,0,0|0,0,2]=4 2562 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [1,1,0,0,0,0|2,0,0]=4 2563 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [1,1,0,0,0,0|2,0,0]=4 2564 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [1,1,0,0,0,0|2,0,0]=4 2565 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [1,1,0,0,0,0|1,0,1]=4 2566 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [1,1,0,0,0,0|1,0,1]=4 2567 B10R0.91 C=CCCC(=O)C=COCC 1458a_100016266692_100000754431 [1,1,0,0,0,0|0,0,2]=4 2568 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [1,1,0,0,0,0|0,0,2]=4 2569 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [1,1,0,0,0,0|0,0,2]=4 2570 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [1,1,0,0,0,0|1,0,1]=4 2571 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [1,1,0,0,0,0|1,0,1]=4 2572 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [1,1,0,0,0,0|1,0,1]=4 2573 B10R0.91 CC#CCC(=O)C/C=C/CC 1458a_100016274230_100000748600 [1,1,0,0,0,0|1,0,1]=4 2574 B10R0.91 CC#CCC(=O)C=COCC 1458a_100016266692_100000748600 [1,1,0,0,0,0|0,0,2]=4 2575 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [1,1,0,0,0,0|0,0,2]=4 2576 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [1,1,0,0,0,0|1,0,1]=4 2577 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,1,0,0,0,0|1,0,0]=3 2578 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [1,1,0,0,0,0|1,0,0]=3 2579 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [1,1,0,0,0,0|1,0,0]=3 2580 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [1,1,0,0,0,0|1,0,0]=3 2581 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [1,1,0,0,0,0|1,0,0]=3 2582 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [1,1,0,0,0,0|1,0,0]=3 2583 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [1,1,0,0,0,0|1,0,0]=3 2584 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [1,1,0,0,0,0|1,0,0]=3 2585 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [1,1,0,0,0,0|1,0,0]=3 2586 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [1,1,0,0,0,0|1,0,1]=4 2587 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [1,1,0,0,0,0|1,0,1]=4 2588 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [1,1,0,0,0,0|1,0,1]=4 2589 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [1,1,0,0,0,0|1,0,1]=4 2590 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [1,1,0,0,0,0|1,0,1]=4 2591 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [1,1,0,0,0,0|1,0,1]=4 2592 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [1,1,0,0,0,0|1,0,1]=4 2593 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [1,1,0,0,0,0|1,0,1]=4 2594 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,1,0,0,0,0|1,0,0]=3 2595 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [1,1,0,0,0,0|1,0,0]=3 2596 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [1,1,0,0,0,0|1,0,0]=3 2597 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [1,1,0,0,0,0|0,0,1]=3 2598 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [1,1,0,0,0,0|1,0,0]=3 2599 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [1,1,0,0,0,0|1,0,1]=4 2600 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [1,1,0,0,0,0|1,0,1]=4 2601 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [1,1,0,0,0,0|0,0,2]=4 2602 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [1,1,0,0,0,0|0,0,2]=4 2603 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [1,1,0,0,0,0|0,0,2]=4 2604 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [1,1,0,0,0,0|1,0,1]=4 2605 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [1,1,0,0,0,0|1,0,1]=4 2606 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [1,1,0,0,0,0|0,0,2]=4 2607 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [1,1,0,0,0,0|1,0,1]=4 2608 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [1,1,0,0,0,0|1,0,1]=4 2609 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [1,1,0,0,0,0|1,0,1]=4 2610 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [1,1,0,0,0,0|0,0,2]=4 2611 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [1,1,0,0,0,0|1,0,1]=4 2612 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [1,1,0,0,0,0|1,0,1]=4 2613 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|1,0,1]=4 2614 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,1,0,0,0,0|0,0,2]=4 2615 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,1,0,0,0,0|1,0,1]=4 2616 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [1,1,0,0,0,0|1,0,1]=4 2617 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [1,1,0,0,0,0|1,0,1]=4 2618 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,1,0,0,0,0|1,0,1]=4 2619 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,1,0,0,0,0|1,0,1]=4 2620 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 2621 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 2622 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 2623 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [1,1,0,0,0,0|1,0,1]=4 2624 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [1,1,0,0,0,0|1,0,1]=4 2625 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [1,1,0,0,0,0|1,0,1]=4 2626 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [1,1,0,0,0,0|1,0,1]=4 2627 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [1,1,0,0,0,0|1,0,1]=4 2628 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [1,1,0,0,0,0|0,0,1]=3 2629 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|0,0,1]=3 2630 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|0,0,1]=3 2631 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|0,1,1]=4 2632 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|0,1,1]=4 2633 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|2,0,0]=4 2634 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|2,0,0]=4 2635 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|1,0,1]=4 2636 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|1,0,1]=4 2637 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,1]=4 2638 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,1]=4 2639 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,1]=4 2640 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,1]=4 2641 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,1]=4 2642 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,1]=4 2643 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,1]=4 2644 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|0,0,1]=3 2645 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|0,0,1]=3 2646 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|0,1,1]=4 2647 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|0,1,1]=4 2648 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|0,1,1]=4 2649 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 2650 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 2651 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 2652 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,1]=4 2653 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,1,0,0,0,0|1,0,1]=4 2654 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,1,0,0,0,0|1,0,1]=4 2655 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,1,0,0,0,0|1,0,1]=4 2656 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,1,0,0,0,0|1,0,1]=4 2657 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 2658 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|1,0,1]=4 2659 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [1,1,0,0,0,0|1,0,1]=4 2660 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,1,0,0,0,0|1,0,1]=4 2661 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,1,0,0,0,0|1,0,1]=4 2662 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,1,0,0,0,0|1,0,1]=4 2663 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,1,0,0,0,0|1,0,1]=4 2664 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,1,0,0,0,0|1,0,1]=4 2665 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,1,0,0,0,0|1,0,1]=4 2666 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [1,1,0,0,0,0|0,0,1]=3 2667 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [1,1,0,0,0,0|0,0,1]=3 2668 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [1,1,0,0,0,0|0,0,1]=3 2669 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,1,0,0,0,0|0,0,1]=3 2670 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,1,0,0,0,0|0,0,1]=3 2671 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,1,0,0,0,0|0,0,1]=3 2672 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,1,0,0,0,0|0,0,1]=3 2673 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [1,1,0,0,0,0|0,1,1]=4 2674 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [1,1,0,0,0,0|0,1,1]=4 2675 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [1,1,0,0,0,0|0,1,1]=4 2676 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [1,1,0,0,0,0|0,1,1]=4 2677 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 2678 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 2679 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 2680 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [1,1,0,0,0,0|2,0,0]=4 2681 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 2682 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 2683 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 2684 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 2685 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 2686 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [1,1,0,0,0,0|2,0,0]=4 2687 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [1,1,0,0,0,0|2,0,0]=4 2688 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [1,1,0,0,0,0|2,0,0]=4 2689 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [1,1,0,0,0,0|2,0,0]=4 2690 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [1,1,0,0,0,0|2,0,0]=4 2691 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [1,1,0,0,0,0|2,0,0]=4 2692 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [1,1,0,0,0,0|2,0,0]=4 2693 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [1,1,0,0,0,0|2,0,0]=4 2694 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 2695 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [1,1,0,0,0,0|2,0,0]=4 2696 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,1,0,0,0,0|1,0,0]=3 2697 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,1,0,0,0,0|1,0,0]=3 2698 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [1,1,0,0,0,0|2,0,0]=4 2699 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [1,1,0,0,0,0|2,0,0]=4 2700 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 2701 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [1,1,0,0,0,0|2,0,0]=4 2702 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [1,1,0,0,0,0|2,0,0]=4 2703 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [1,1,0,0,0,0|2,0,0]=4 2704 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [1,1,0,0,0,0|2,0,0]=4 2705 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [1,1,0,0,0,0|2,0,0]=4 2706 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,1,0,0,0,0|1,0,1]=4 2707 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [1,1,0,0,0,0|2,0,0]=4 2708 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,1,0,0,0,0|2,0,0]=4 2709 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,1,0,0,0,0|2,0,0]=4 2710 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,1,0,0,0,0|2,0,0]=4 2711 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 2712 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 2713 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 2714 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 2715 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 2716 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 2717 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [1,1,0,0,0,0|2,0,0]=4 2718 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,1,0,0,0,0|1,0,0]=3 2719 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [1,1,0,0,0,0|2,0,0]=4 2720 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,1,0,0,0,0|2,0,0]=4 2721 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,1,0,0,0,0|2,0,0]=4 2722 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,1,0,0,0,0|2,0,0]=4 2723 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 2724 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 2725 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 2726 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 2727 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 2728 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 2729 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [1,1,0,0,0,0|2,0,0]=4 2730 B10R0.91 CCNNC(=O)C=COCC 22a_100000756455_100016266692 [1,1,0,0,0,0|1,0,1]=4 2731 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [1,1,0,0,0,0|1,0,1]=4 2732 B10R0.91 CCOC=CC(=O)CCC#N 1458a_100016266692_100011215226 [1,1,0,0,0,0|0,0,2]=4 2733 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [1,1,0,0,0,0|0,0,1]=3 2734 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [1,1,0,0,0,0|0,0,1]=3 2735 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [1,1,0,0,0,0|0,0,1]=3 2736 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [1,1,0,0,0,0|0,0,1]=3 2737 B10R0.91 CCOC=CC(=O)NCCF 11a_100000724931_100016266692 [1,1,0,0,0,0|1,0,1]=4 2738 B10R0.91 CCOC=CC(=O)NCCF 1626a_100000724931_100016266692 [1,1,0,0,0,0|1,0,1]=4 2739 B10R0.91 CCOC=CC(=O)NCCF 240690a_100000724931_100016266692 [1,1,0,0,0,0|1,0,1]=4 2740 B10R0.91 CCOC=CC(=O)NCCO 240690a_100000210304_100016266692 [1,1,0,0,0,0|1,0,1]=4 2741 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,1,0,0,0,0|1,0,1]=4 2742 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|1,0,1]=4 2743 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,1,0,0,0,0|1,0,1]=4 2744 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,1,0,0,0,0|0,1,1]=4 2745 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [1,1,0,0,0,0|0,0,2]=4 2746 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [1,1,0,0,0,0|0,0,2]=4 2747 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,1,0,0,0,0|0,0,1]=3 2748 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|0,0,1]=3 2749 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,1,0,0,0,0|0,0,1]=3 2750 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,1,0,0,0,0|0,0,1]=3 2751 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,1,0,0,0,0|0,0,1]=3 2752 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,1,0,0,0,0|0,0,1]=3 2753 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,1,0,0,0,0|0,0,1]=3 2754 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,1,0,0,0,0|0,0,1]=3 2755 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 2756 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 2757 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 2758 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [1,1,0,0,0,0|1,0,1]=4 2759 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [1,1,0,0,0,0|1,0,1]=4 2760 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [1,1,0,0,0,0|1,0,1]=4 2761 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [1,1,0,0,0,0|0,1,1]=4 2762 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,1,0,0,0,0|0,1,1]=4 2763 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,1,0,0,0,0|0,1,1]=4 2764 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,1,0,0,0,0|0,1,1]=4 2765 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,1,0,0,0,0|0,1,1]=4 2766 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,1,0,0,0,0|0,1,1]=4 2767 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [1,1,0,0,0,0|0,1,1]=4 2768 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,1]=4 2769 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,1,0,0,0,0|1,0,1]=4 2770 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|0,1,1]=4 2771 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [1,1,0,0,0,0|2,0,0]=4 2772 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [1,1,0,0,0,0|2,0,0]=4 2773 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,1,0,0,0,0|2,0,0]=4 2774 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [1,1,0,0,0,0|2,0,0]=4 2775 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [1,1,0,0,0,0|2,0,0]=4 2776 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|1,0,1]=4 2777 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|1,0,1]=4 2778 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|1,0,1]=4 2779 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|1,0,1]=4 2780 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [1,1,0,0,0,0|2,0,0]=4 2781 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [1,1,0,0,0,0|2,0,0]=4 2782 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [1,1,0,0,0,0|2,0,0]=4 2783 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [1,1,0,0,0,0|2,0,0]=4 2784 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [1,1,0,0,0,0|2,0,0]=4 2785 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [1,1,0,0,0,0|0,0,2]=4 2786 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|0,0,2]=4 2787 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [1,1,0,0,0,0|1,0,1]=4 2788 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [1,1,0,0,0,0|1,0,1]=4 2789 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [1,1,0,0,0,0|1,0,1]=4 2790 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [1,1,0,0,0,0|1,0,1]=4 2791 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [1,1,0,0,0,0|1,0,1]=4 2792 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [1,1,0,0,0,0|1,0,1]=4 2793 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [1,1,0,0,0,0|1,0,1]=4 2794 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [1,1,0,0,0,0|1,0,1]=4 2795 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,1,0,0,0,0|1,0,1]=4 2796 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,1,0,0,0,0|1,0,1]=4 2797 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,1,0,0,0,0|1,0,1]=4 2798 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,1,0,0,0,0|1,0,1]=4 2799 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,1,0,0,0,0|1,0,1]=4 2800 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,1,0,0,0,0|1,0,1]=4 2801 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,1,0,0,0,0|1,0,1]=4 2802 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,1,0,0,0,0|1,0,1]=4 2803 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [1,1,0,0,0,0|1,0,1]=4 2804 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,1,0,0,0,0|1,0,0]=3 2805 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [1,1,0,0,0,0|2,0,0]=4 2806 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,1,0,0,0,0|1,0,0]=3 2807 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 2808 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 2809 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 2810 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,1,0,0,0,0|1,0,0]=3 2811 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,1,0,0,0,0|1,0,0]=3 2812 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [1,1,0,0,0,0|2,0,0]=4 2813 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [1,1,0,0,0,0|2,0,0]=4 2814 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [1,1,0,0,0,0|2,0,0]=4 2815 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [1,1,0,0,0,0|2,0,0]=4 2816 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [1,1,0,0,0,0|2,0,0]=4 2817 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [1,1,0,0,0,0|1,0,1]=4 2818 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [1,1,0,0,0,0|0,0,2]=4 2819 B10R0.7 CCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210303 [1,1,0,0,0,0|1,0,0]=3 2820 B10R0.7 CCCC(=O)NS(=O)(=O)CC 2740a_100000171174_100000211992 [1,1,0,0,0,0|2,0,0]=4 2821 B10R0.7 CCNC(=O)CS(=O)(=O)CC 11a_100015525214_100000744335 [1,1,0,0,0,0|2,0,0]=4 2822 B10R0.7 CCNC(=O)CS(=O)(=O)CC 240690a_100015525214_100000744335 [1,1,0,0,0,0|2,0,0]=4 2823 B10R0.7 CCNC(=O)CS(=O)(=O)CC 527a_100015525214_100000744335 [1,1,0,0,0,0|2,0,0]=4 2824 B10R0.7 CCOC(=O)CS(=O)(=O)NC 270084a_100102657272_100000738689 [1,1,0,0,0,0|2,0,0]=4 2825 B10R0.7 CCOC(=O)CS(=O)(=O)NC 274078a_100102657272_100000738689 [1,1,0,0,0,0|2,0,0]=4 2826 B10R0.7 CCS(=O)(=O)CC(=O)CCF 1458a_100000744335_100011217306 [1,1,0,0,0,0|2,0,0]=4 2827 B10R0.7 CCS(=O)(=O)CC(=O)CCO 1458a_100000744335_100000211926 [1,1,0,0,0,0|2,0,0]=4 2828 B10R0.18 C#CC(=O)CC(=O)NCCC 1458a_100000211873_100000183358 [1,1,0,0,0,0|0,0,2]=4 2829 B10R0.18 C#CC(=O)CC(=O)OCCC 1458a_100000211873_200011215008 [1,1,0,0,0,0|0,0,2]=4 2830 B10R0.18 C#CCCC(=O)CC(=O)CC 1458a_100000692101_100000747405 [1,1,0,0,0,0|0,0,1]=3 2831 B10R0.18 C#CCCC(=O)CC(=O)NC 1458a_100000692101_100000183359 [1,1,0,0,0,0|1,0,1]=4 2832 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [1,1,0,0,0,0|0,0,1]=3 2833 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [1,1,0,0,0,0|0,0,1]=3 2834 B10R0.18 C#CCNC(=O)CC(=O)OC 240690a_100000212058_100000211351 [1,1,0,0,0,0|0,0,2]=4 2835 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [1,1,0,0,0,0|0,0,1]=3 2836 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [1,1,0,0,0,0|1,0,0]=3 2837 B10R0.18 C=C(CC(=O)CO)OCOC 1458a_100000210174_100000042856 [1,1,0,0,0,0|2,0,0]=4 2838 B10R0.18 C=CC(=O)CC(=O)NCCC 1458a_100000185746_100000183358 [1,1,0,0,0,0|0,0,2]=4 2839 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [1,1,0,0,0,0|0,0,2]=4 2840 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [1,1,0,0,0,0|0,0,1]=3 2841 B10R0.18 C=CCCC(=O)CC(=O)NC 1458a_100000749702_100000183359 [1,1,0,0,0,0|1,0,1]=4 2842 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [1,1,0,0,0,0|0,0,1]=3 2843 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [1,1,0,0,0,0|0,0,1]=3 2844 B10R0.18 C=CCNC(=O)CC(=O)CC 1458a_100000210414_100000183597 [1,1,0,0,0,0|0,0,2]=4 2845 B10R0.18 C=CCNC(=O)CC(=O)OC 240690a_100020586998_100000211351 [1,1,0,0,0,0|0,0,2]=4 2846 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [1,1,0,0,0,0|0,0,1]=3 2847 B10R0.18 C=CCOC(=O)CC(=O)CO 1458a_100000210174_100000033060 [1,1,0,0,0,0|1,0,1]=4 2848 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [1,1,0,0,0,0|0,0,1]=3 2849 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [1,1,0,0,0,0|0,0,1]=3 2850 B10R0.18 CC=CCC(=O)CC(=O)NC 1458a_100121576822_100000183359 [1,1,0,0,0,0|1,0,1]=4 2851 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [1,1,0,0,0,0|0,0,1]=3 2852 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [1,1,0,0,0,0|0,0,1]=3 2853 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [1,1,0,0,0,0|0,0,1]=3 2854 B10R0.18 CCC#CC(=O)CC(=O)NC 1458a_100011827653_100000183359 [1,1,0,0,0,0|1,0,1]=4 2855 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [1,1,0,0,0,0|0,0,1]=3 2856 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [1,1,0,0,0,0|1,0,1]=4 2857 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [1,1,0,0,0,0|1,0,1]=4 2858 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [1,1,0,0,0,0|1,0,1]=4 2859 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [1,1,0,0,0,0|1,0,1]=4 2860 B10R0.18 CCC(=O)CC(=O)C#CCO 1458a_100000049017_100000747405 [1,1,0,0,0,0|0,0,2]=4 2861 B10R0.18 CCC(=O)CC(=O)C=COC 1458a_100016268678_100000747405 [1,1,0,0,0,0|0,0,2]=4 2862 B10R0.18 CCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747405 [1,1,0,0,0,0|0,0,1]=3 2863 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [1,1,0,0,0,0|0,0,0]=2 2864 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [1,1,0,0,0,0|0,0,0]=2 2865 B10R0.18 CCC(=O)CC(=O)NCC#N 1458a_100000210414_100000736037 [1,1,0,0,0,0|1,0,1]=4 2866 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [1,1,0,0,0,0|2,0,0]=4 2867 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [1,1,0,0,0,0|2,0,0]=4 2868 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [1,1,0,0,0,0|2,0,0]=4 2869 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [1,1,0,0,0,0|1,0,1]=4 2870 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [1,1,0,0,0,0|1,0,1]=4 2871 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [1,1,0,0,0,0|1,0,1]=4 2872 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [1,1,0,0,0,0|1,0,1]=4 2873 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [1,1,0,0,0,0|1,0,1]=4 2874 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [1,1,0,0,0,0|1,0,1]=4 2875 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [1,1,0,0,0,0|0,0,2]=4 2876 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [1,1,0,0,0,0|0,0,2]=4 2877 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [1,1,0,0,0,0|0,0,2]=4 2878 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [1,1,0,0,0,0|0,0,2]=4 2879 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [1,1,0,0,0,0|0,0,2]=4 2880 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [1,1,0,0,0,0|0,0,2]=4 2881 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [1,1,0,0,0,0|0,0,1]=3 2882 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [1,1,0,0,0,0|1,0,1]=4 2883 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [1,1,0,0,0,0|0,0,1]=3 2884 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [1,1,0,0,0,0|1,0,1]=4 2885 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|0,0,0]=2 2886 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,0]=3 2887 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|0,0,0]=2 2888 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|0,0,0]=2 2889 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [1,1,0,0,0,0|1,0,1]=4 2890 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [1,1,0,0,0,0|1,0,1]=4 2891 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [1,1,0,0,0,0|0,0,2]=4 2892 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [1,1,0,0,0,0|0,0,2]=4 2893 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [1,1,0,0,0,0|2,0,0]=4 2894 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [1,1,0,0,0,0|1,0,1]=4 2895 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [1,1,0,0,0,0|2,0,0]=4 2896 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [1,1,0,0,0,0|2,0,0]=4 2897 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [1,1,0,0,0,0|2,0,0]=4 2898 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [1,1,0,0,0,0|2,0,0]=4 2899 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [1,1,0,0,0,0|1,0,1]=4 2900 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [1,1,0,0,0,0|1,0,1]=4 2901 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [1,1,0,0,0,0|1,0,1]=4 2902 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [1,1,0,0,0,0|0,0,0]=2 2903 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [1,1,0,0,0,0|1,0,0]=3 2904 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [1,1,0,0,0,0|0,0,0]=2 2905 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [1,1,0,0,0,0|1,0,1]=4 2906 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [1,1,0,0,0,0|1,0,1]=4 2907 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [1,1,0,0,0,0|1,0,1]=4 2908 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [1,1,0,0,0,0|1,0,1]=4 2909 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [1,1,0,0,0,0|0,0,2]=4 2910 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [1,1,0,0,0,0|0,0,2]=4 2911 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [1,1,0,0,0,0|2,0,0]=4 2912 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [1,1,0,0,0,0|2,0,0]=4 2913 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [1,1,0,0,0,0|2,0,0]=4 2914 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [1,1,0,0,0,0|2,0,0]=4 2915 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [1,1,0,0,0,0|2,0,0]=4 2916 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [1,1,0,0,0,0|2,0,0]=4 2917 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|0,0,0]=2 2918 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [1,1,0,0,0,0|1,0,0]=3 2919 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 2920 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [1,1,0,0,0,0|2,0,0]=4 2921 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|1,0,1]=4 2922 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [1,1,0,0,0,0|1,0,1]=4 2923 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [1,1,0,0,0,0|1,0,1]=4 2924 B10R0.18 CCN(C)CC(=O)CCCF 1458a_100116209913_100011934791 [1,1,0,0,0,0|2,0,0]=4 2925 B10R0.18 CCN(C)CC(=O)CCCO 1458a_100116209913_100011215043 [1,1,0,0,0,0|2,0,0]=4 2926 B10R0.18 CCN(C)CC(=O)CCOC 1458a_100116209913_100000233755 [1,1,0,0,0,0|2,0,0]=4 2927 B10R0.18 CCN(C)CC(=O)CCSC 1458a_100116209913_100000751147 [1,1,0,0,0,0|2,0,0]=4 2928 B10R0.18 CCNN=C(C)CC(=O)OC 4a_100000756455_100000210079 [1,1,0,0,0,0|2,0,0]=4 2929 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [1,1,0,0,0,0|1,0,0]=3 2930 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [1,1,0,0,0,0|0,0,0]=2 2931 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [1,1,0,0,0,0|1,0,0]=3 2932 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [1,1,0,0,0,0|0,0,0]=2 2933 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [1,1,0,0,0,0|1,0,1]=4 2934 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [1,1,0,0,0,0|0,0,2]=4 2935 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [1,1,0,0,0,0|1,0,1]=4 2936 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [1,1,0,0,0,0|0,0,2]=4 2937 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [1,1,0,0,0,0|0,0,0]=2 2938 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [1,1,0,0,0,0|1,0,0]=3 2939 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [1,1,0,0,0,0|0,0,0]=2 2940 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [1,1,0,0,0,0|0,0,0]=2 2941 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [1,1,0,0,0,0|0,0,0]=2 2942 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [1,1,0,0,0,0|1,0,1]=4 2943 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [1,1,0,0,0,0|0,0,2]=4 2944 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [1,1,0,0,0,0|1,0,1]=4 2945 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [1,1,0,0,0,0|1,0,0]=3 2946 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [1,1,0,0,0,0|0,0,2]=4 2947 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [1,1,0,0,0,0|0,0,2]=4 2948 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [1,1,0,0,0,0|1,0,1]=4 2949 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [1,1,0,0,0,0|1,0,1]=4 2950 B10R0.18 CNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183359 [1,1,0,0,0,0|1,0,1]=4 2951 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [1,1,0,0,0,0|1,0,0]=3 2952 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [1,1,0,0,0,0|1,0,0]=3 2953 B10R0.18 COC(=O)CC(=O)C#CCO 1458a_100000049017_100000747449 [1,1,0,0,0,0|0,0,2]=4 2954 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [1,1,0,0,0,0|0,0,1]=3 2955 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [1,1,0,0,0,0|0,0,1]=3 2956 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [1,1,0,0,0,0|0,0,0]=2 2957 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [1,1,0,0,0,0|0,0,0]=2 2958 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [1,1,0,0,0,0|0,0,0]=2 2959 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [1,1,0,0,0,0|0,0,0]=2 2960 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [1,1,0,0,0,0|1,0,0]=3 2961 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [1,1,0,0,0,0|1,0,0]=3 2962 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [1,1,0,0,0,0|1,0,0]=3 2963 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [1,1,0,0,0,0|1,0,0]=3 2964 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [1,1,0,0,0,0|2,0,0]=4 2965 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [1,1,0,0,0,0|2,0,0]=4 2966 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 2967 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 2968 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [1,1,0,0,0,0|2,0,0]=4 2969 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 2970 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 2971 B10R0.18 COC(=O)NC(=O)CSCF 62a_100015361967_100000010850 [1,1,0,0,0,0|2,0,0]=4 2972 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [1,1,0,0,0,0|0,0,2]=4 2973 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [1,1,0,0,0,0|0,0,0]=2 2974 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [1,1,0,0,0,0|0,0,0]=2 2975 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [1,1,0,0,0,0|2,0,0]=4 2976 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 2977 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 2978 B10R0.26 C#CCC(=O)CC(=O)C(C)C 1458a_100011220946_100000753385 [1,1,0,0,0,0|0,0,2]=4 2979 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [1,1,0,0,0,0|0,0,1]=3 2980 B10R0.26 C=C(C)C(=O)CC(=O)NCC 1458a_100000185857_100000183381 [1,1,0,0,0,0|1,0,1]=4 2981 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [1,1,0,0,0,0|0,0,1]=3 2982 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [1,1,0,0,0,0|1,0,0]=3 2983 B10R0.26 C=C(CCC)CC(=O)N(C)C 11a_100102631434_100000138376 [1,1,0,0,0,0|2,0,0]=4 2984 B10R0.26 C=C(CCC)CC(=O)N(C)C 240690a_100102631434_100000138376 [1,1,0,0,0,0|2,0,0]=4 2985 B10R0.26 C=C(CCC)CC(=O)N(C)C 527a_100102631434_100000138376 [1,1,0,0,0,0|2,0,0]=4 2986 B10R0.26 C=CCC(=O)CC(=O)C(C)C 1458a_100000210193_100000753385 [1,1,0,0,0,0|0,0,2]=4 2987 B10R0.26 C=COC(=O)CC(=O)C(C)C 1458a_100000210198_100000036128 [1,1,0,0,0,0|0,0,2]=4 2988 B10R0.26 C=COC(=O)CC(=O)C(C)F 1458a_100000062450_100000036128 [1,1,0,0,0,0|0,0,2]=4 2989 B10R0.26 C=COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000036128 [1,1,0,0,0,0|0,0,2]=4 2990 B10R0.26 C=COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000036128 [1,1,0,0,0,0|0,0,2]=4 2991 B10R0.26 CC#CC(=O)CC(=O)C(C)C 1458a_100000763181_100000753385 [1,1,0,0,0,0|0,0,2]=4 2992 B10R0.26 CC(=O)C(=O)CC(=O)CCO 1458a_100011216618_100011261029 [1,1,0,0,0,0|1,0,1]=4 2993 B10R0.26 CC(C)C(=O)CC(=O)CC#N 1458a_100051588842_100000753385 [1,1,0,0,0,0|1,0,1]=4 2994 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [1,1,0,0,0,0|1,0,0]=3 2995 B10R0.26 CC(C)C(=O)CC(=O)NCO 1458a_100000210198_100000185155 [1,1,0,0,0,0|2,0,0]=4 2996 B10R0.26 CC(F)C(=O)CC(=O)NCO 1458a_100000062450_100000185155 [1,1,0,0,0,0|2,0,0]=4 2997 B10R0.26 CC=CC(=O)CC(=O)C(C)C 1458a_100000210699_100000753385 [1,1,0,0,0,0|0,0,2]=4 2998 B10R0.26 CCCC(=CC(=O)C(C)C)C 1458a_100020676950_100000210206 [1,1,0,0,0,0|1,0,1]=4 2999 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [1,1,0,0,0,0|0,0,1]=3 3000 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [1,1,0,0,0,0|0,0,0]=2 3001 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [1,1,0,0,0,0|0,0,0]=2 3002 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [1,1,0,0,0,0|0,0,0]=2 3003 B10R0.26 CCCC(=O)CC(=O)C(O)O 1458a_100000233687_100000747444 [1,1,0,0,0,0|1,0,0]=3 3004 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [1,1,0,0,0,0|1,0,0]=3 3005 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [1,1,0,0,0,0|0,0,0]=2 3006 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [1,1,0,0,0,0|0,0,0]=2 3007 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [1,1,0,0,0,0|2,0,0]=4 3008 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [1,1,0,0,0,0|2,0,0]=4 3009 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [1,1,0,0,0,0|1,0,1]=4 3010 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [1,1,0,0,0,0|1,0,1]=4 3011 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [1,1,0,0,0,0|1,0,1]=4 3012 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [1,1,0,0,0,0|1,0,1]=4 3013 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [1,1,0,0,0,0|1,0,1]=4 3014 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [1,1,0,0,0,0|2,0,0]=4 3015 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [1,1,0,0,0,0|2,0,0]=4 3016 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [1,1,0,0,0,0|1,0,0]=3 3017 B10R0.26 CCCS(=O)CC(=O)N(C)C 11a_100102631434_100011387404 [1,1,0,0,0,0|2,0,0]=4 3018 B10R0.26 CCCS(=O)CC(=O)N(C)C 1626a_100102631434_100011387404 [1,1,0,0,0,0|2,0,0]=4 3019 B10R0.26 CCCS(=O)CC(=O)N(C)C 240690a_100102631434_100011387404 [1,1,0,0,0,0|2,0,0]=4 3020 B10R0.26 CCCS(=O)CC(=O)N(C)C 527a_100102631434_100011387404 [1,1,0,0,0,0|2,0,0]=4 3021 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [1,1,0,0,0,0|1,0,0]=3 3022 B10R0.26 CCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183381 [1,1,0,0,0,0|1,0,0]=3 3023 B10R0.26 CCNC(=O)CC(=O)C(O)O 1458a_100000233687_100000183381 [1,1,0,0,0,0|2,0,0]=4 3024 B10R0.26 CCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183381 [1,1,0,0,0,0|1,0,0]=3 3025 B10R0.26 CCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183381 [1,1,0,0,0,0|1,0,0]=3 3026 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [1,1,0,0,0,0|0,0,0]=2 3027 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [1,1,0,0,0,0|0,0,0]=2 3028 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [1,1,0,0,0,0|0,0,0]=2 3029 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [1,1,0,0,0,0|1,0,0]=3 3030 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [1,1,0,0,0,0|1,0,0]=3 3031 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [1,1,0,0,0,0|0,0,0]=2 3032 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [1,1,0,0,0,0|0,0,0]=2 3033 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [1,1,0,0,0,0|2,0,0]=4 3034 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [1,1,0,0,0,0|2,0,0]=4 3035 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [1,1,0,0,0,0|2,0,0]=4 3036 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [1,1,0,0,0,0|2,0,0]=4 3037 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [1,1,0,0,0,0|2,0,0]=4 3038 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [1,1,0,0,0,0|2,0,0]=4 3039 B10R0.26 CN(C)C(=O)CC(=O)CCO 1458a_100011216618_100000185267 [1,1,0,0,0,0|2,0,0]=4 3040 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [1,1,0,0,0,0|1,0,1]=4 3041 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [1,1,0,0,0,0|1,0,0]=3 3042 B10R0.26 COCC(=O)CC(=O)N(C)C 1458a_100000210968_100000185267 [1,1,0,0,0,0|2,0,0]=4 3043 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [1,1,0,0,0,0|1,0,1]=4 3044 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [1,1,0,0,0,0|1,0,0]=3 3045 B10R0.26 CSCC(=O)CC(=O)N(C)C 1458a_100000184570_100000185267 [1,1,0,0,0,0|2,0,0]=4 3046 B10R0.26 C[C@@H](O)C(=O)CC(=O)NCO 1458a_100000717761_100000185155 [1,1,0,0,0,0|2,0,0]=4 3047 B10R0.26 C[C@H](O)C(=O)CC(=O)NCO 1458a_217856618621_100000185155 [1,1,0,0,0,0|2,0,0]=4 3048 B10R0.29 CCCC(CC(=O)OC)OC 7a_100000065524_200000210301 [1,1,0,0,0,0|0,0,2]=4 3049 B10R0.29 CCCC(CC(=O)OC)O[13CH3] 7a_100000065524_200025704644 [1,1,0,0,0,0|0,0,2]=4 3050 B10R0.29 CCCN(CC)CC(=O)CC 269982a_100000226822_100000747405 [1,1,0,0,0,0|2,0,0]=4 3051 B10R0.29 CCCN(CC)CC(=O)OC 2230a_100000226822_100000747449 [1,1,0,0,0,0|2,0,0]=4 3052 B10R0.29 CCCN(CC)CC(=O)OC 269982a_100000226822_100000747449 [1,1,0,0,0,0|2,0,0]=4 3053 B10R0.34 CCCC(=O)CC(CC)CC 1458a_100000211992_100011215472 [1,1,0,0,0,0|1,0,1]=4 3054 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [1,1,0,0,0,0|0,0,2]=4 3055 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [1,1,0,0,0,0|0,0,2]=4 3056 B10R0.34 CCCC(=O)CN(CC)CC 1458a_100000758533_100000210303 [1,1,0,0,0,0|2,0,0]=4 3057 B10R0.34 CCCC(=O)CN(CC)CC 2230a_100000724800_100000747444 [1,1,0,0,0,0|2,0,0]=4 3058 B10R0.34 CCCC(=O)CN(CC)CC 269956a_100000042499_100000747444 [1,1,0,0,0,0|2,0,0]=4 3059 B10R0.34 CCCC(=O)CN(CC)CC 269982a_100000724800_100000747444 [1,1,0,0,0,0|2,0,0]=4 3060 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [1,1,0,0,0,0|2,0,0]=4 3061 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [1,1,0,0,0,0|2,0,0]=4 3062 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [1,1,0,0,0,0|2,0,0]=4 3063 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [1,1,0,0,0,0|2,0,0]=4 3064 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [1,1,0,0,0,0|2,0,0]=4 3065 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3066 B10R0.35 C#CC(=O)C(C)C(=O)OCC 1458a_100000211873_100011216346 [1,1,0,0,0,0|0,0,2]=4 3067 B10R0.35 C#CC(=O)C(F)C(=O)OCC 1458a_100000211873_100000760018 [1,1,0,0,0,0|0,0,2]=4 3068 B10R0.35 C#CCC(=O)C(C)C(=O)CC 1458a_100011220946_100000742827 [1,1,0,0,0,0|0,0,2]=4 3069 B10R0.35 C#CCC(=O)C(C)C(=O)OC 1458a_100011220946_100000211248 [1,1,0,0,0,0|0,0,2]=4 3070 B10R0.35 C#CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000184674 [1,1,0,0,0,0|0,0,2]=4 3071 B10R0.35 C=CC(=O)C(C)C(=O)OCC 1458a_100000185746_100011216346 [1,1,0,0,0,0|0,0,2]=4 3072 B10R0.35 C=CC(=O)C(F)C(=O)OCC 1458a_100000185746_100000760018 [1,1,0,0,0,0|0,0,2]=4 3073 B10R0.35 C=CCC(=O)C(C)C(=O)CC 1458a_100000210193_100000742827 [1,1,0,0,0,0|0,0,2]=4 3074 B10R0.35 C=CCC(=O)C(C)C(=O)OC 1458a_100000210193_100000211248 [1,1,0,0,0,0|0,0,2]=4 3075 B10R0.35 C=CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210623 [1,1,0,0,0,0|0,0,2]=4 3076 B10R0.35 CC#CC(=O)C(C)C(=O)CC 1458a_100000763181_100000742827 [1,1,0,0,0,0|0,0,2]=4 3077 B10R0.35 CC#CC(=O)C(C)C(=O)OC 1458a_100000763181_100000211248 [1,1,0,0,0,0|0,0,2]=4 3078 B10R0.35 CC=CC(=O)C(C)C(=O)CC 1458a_100000210699_100000742827 [1,1,0,0,0,0|0,0,2]=4 3079 B10R0.35 CC=CC(=O)C(C)C(=O)OC 1458a_100000210699_100000211248 [1,1,0,0,0,0|0,0,2]=4 3080 B10R0.35 CCC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000742827 [1,1,0,0,0,0|1,0,1]=4 3081 B10R0.35 CCC(=O)C(C)C(=O)CCO 1458a_100011216618_100000742827 [1,1,0,0,0,0|1,0,0]=3 3082 B10R0.35 CCC(=O)C(C)C(=O)COC 1458a_100000210968_100000742827 [1,1,0,0,0,0|1,0,0]=3 3083 B10R0.35 CCC(=O)C(C)C(=O)CSC 1458a_100000184570_100000742827 [1,1,0,0,0,0|1,0,0]=3 3084 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [1,1,0,0,0,0|0,0,0]=2 3085 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [1,1,0,0,0,0|1,0,0]=3 3086 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [1,1,0,0,0,0|0,0,0]=2 3087 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [1,1,0,0,0,0|0,0,0]=2 3088 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [1,1,0,0,0,0|2,0,0]=4 3089 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [1,1,0,0,0,0|1,0,0]=3 3090 B10R0.35 CCCN(C)C(C)C(=O)CC 2230a_100000747261_100000742827 [1,1,0,0,0,0|2,0,0]=4 3091 B10R0.35 CCCN(C)C(C)C(=O)CC 269982a_100000747261_100000742827 [1,1,0,0,0,0|2,0,0]=4 3092 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210303 [1,1,0,0,0,0|2,0,0]=4 3093 B10R0.35 CCCN(C)C(C)C(=O)OC 2230a_100000747261_100000211248 [1,1,0,0,0,0|2,0,0]=4 3094 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210303 [1,1,0,0,0,0|2,0,0]=4 3095 B10R0.35 CCCN(C)C(C)C(=O)OC 269982a_100000747261_100000211248 [1,1,0,0,0,0|2,0,0]=4 3096 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [1,1,0,0,0,0|1,0,0]=3 3097 B10R0.35 CCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230173 [1,1,0,0,0,0|2,0,0]=4 3098 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [1,1,0,0,0,0|1,0,0]=3 3099 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [1,1,0,0,0,0|1,0,0]=3 3100 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [1,1,0,0,0,0|1,0,0]=3 3101 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [1,1,0,0,0,0|0,0,0]=2 3102 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [1,1,0,0,0,0|0,0,0]=2 3103 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [1,1,0,0,0,0|1,0,0]=3 3104 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [1,1,0,0,0,0|1,0,0]=3 3105 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [1,1,0,0,0,0|1,0,0]=3 3106 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [1,1,0,0,0,0|1,0,0]=3 3107 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [1,1,0,0,0,0|1,0,0]=3 3108 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [1,1,0,0,0,0|1,0,0]=3 3109 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [1,1,0,0,0,0|2,0,0]=4 3110 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [1,1,0,0,0,0|2,0,0]=4 3111 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [1,1,0,0,0,0|0,0,0]=2 3112 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [1,1,0,0,0,0|1,0,0]=3 3113 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [1,1,0,0,0,0|2,0,0]=4 3114 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [1,1,0,0,0,0|2,0,0]=4 3115 B10R0.35 CNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000209862 [1,1,0,0,0,0|2,0,0]=4 3116 B10R0.35 CNC(=O)C(C)C(=O)COC 1458a_100000210968_100000209862 [1,1,0,0,0,0|2,0,0]=4 3117 B10R0.35 CNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000209862 [1,1,0,0,0,0|2,0,0]=4 3118 B10R0.35 CNC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813575 [1,1,0,0,0,0|2,0,0]=4 3119 B10R0.35 CNC(=O)C(F)C(=O)COC 1458a_100000210968_100009813575 [1,1,0,0,0,0|2,0,0]=4 3120 B10R0.35 CNC(=O)C(F)C(=O)CSC 1458a_100000184570_100009813575 [1,1,0,0,0,0|2,0,0]=4 3121 B10R0.35 CNNC(=O)C(C)C(=O)OC 22a_100016993582_100012027023 [1,1,0,0,0,0|2,0,0]=4 3122 B10R0.35 COC(=O)C(C)C(=O)CC#N 1458a_100012027023_100011214920 [1,1,0,0,0,0|1,0,1]=4 3123 B10R0.35 COC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000211248 [1,1,0,0,0,0|1,0,1]=4 3124 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [1,1,0,0,0,0|1,0,0]=3 3125 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [1,1,0,0,0,0|1,0,0]=3 3126 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [1,1,0,0,0,0|1,0,0]=3 3127 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [1,1,0,0,0,0|1,0,0]=3 3128 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [1,1,0,0,0,0|1,0,0]=3 3129 B10R0.44 C#CC(=O)CC(=O)OC(C)C 1458a_100000211873_100011215430 [1,1,0,0,0,0|0,0,2]=4 3130 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [1,1,0,0,0,0|0,0,1]=3 3131 B10R0.44 C=C(F)CC(=O)CC(=O)OC 1458a_100000211351_100009893438 [1,1,0,0,0,0|0,0,2]=4 3132 B10R0.44 C=CC(=O)CC(=O)OC(C)C 1458a_100000185746_100011215430 [1,1,0,0,0,0|0,0,2]=4 3133 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [1,1,0,0,0,0|2,0,0]=4 3134 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [1,1,0,0,0,0|1,0,0]=3 3135 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [1,1,0,0,0,0|1,0,1]=4 3136 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [1,1,0,0,0,0|1,0,1]=4 3137 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [1,1,0,0,0,0|0,0,2]=4 3138 B10R0.44 CCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747405 [1,1,0,0,0,0|0,0,2]=4 3139 B10R0.44 CCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747405 [1,1,0,0,0,0|0,0,2]=4 3140 B10R0.44 CCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747405 [1,1,0,0,0,0|1,0,1]=4 3141 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [1,1,0,0,0,0|0,0,0]=2 3142 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [1,1,0,0,0,0|1,0,0]=3 3143 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [1,1,0,0,0,0|0,0,0]=2 3144 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [1,1,0,0,0,0|1,0,0]=3 3145 B10R0.44 CCC(=O)CC(=O)NC(=O)C 1458a_100000210414_100000183797 [1,1,0,0,0,0|1,0,1]=4 3146 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [1,1,0,0,0,0|1,0,0]=3 3147 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [1,1,0,0,0,0|0,0,0]=2 3148 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [1,1,0,0,0,0|2,0,0]=4 3149 B10R0.44 CCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747405 [1,1,0,0,0,0|2,0,0]=4 3150 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [1,1,0,0,0,0|1,0,1]=4 3151 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [1,1,0,0,0,0|1,0,1]=4 3152 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [1,1,0,0,0,0|1,0,1]=4 3153 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [1,1,0,0,0,0|1,0,1]=4 3154 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [1,1,0,0,0,0|0,0,2]=4 3155 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [1,1,0,0,0,0|0,0,2]=4 3156 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [1,1,0,0,0,0|0,0,2]=4 3157 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [1,1,0,0,0,0|0,0,2]=4 3158 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [1,1,0,0,0,0|2,0,0]=4 3159 B10R0.44 CCN(C)CC(=O)CC(C)O 1458a_100116209913_100011218427 [1,1,0,0,0,0|2,0,0]=4 3160 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 3161 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [1,1,0,0,0,0|2,0,0]=4 3162 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [1,1,0,0,0,0|1,0,1]=4 3163 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [1,1,0,0,0,0|1,0,1]=4 3164 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [1,1,0,0,0,0|1,0,0]=3 3165 B10R0.44 CNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183359 [1,1,0,0,0,0|2,0,0]=4 3166 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [1,1,0,0,0,0|1,0,0]=3 3167 B10R0.44 CNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183359 [1,1,0,0,0,0|2,0,0]=4 3168 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [1,1,0,0,0,0|0,0,2]=4 3169 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [1,1,0,0,0,0|0,0,2]=4 3170 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [1,1,0,0,0,0|0,0,2]=4 3171 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [1,1,0,0,0,0|1,0,1]=4 3172 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [1,1,0,0,0,0|1,0,1]=4 3173 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [1,1,0,0,0,0|1,0,1]=4 3174 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [1,1,0,0,0,0|0,0,0]=2 3175 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [1,1,0,0,0,0|0,0,0]=2 3176 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [1,1,0,0,0,0|0,0,0]=2 3177 B10R0.44 COC(=O)CC(=O)CC(F)F 1458a_100000211351_100011934356 [1,1,0,0,0,0|1,0,0]=3 3178 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [1,1,0,0,0,0|1,0,0]=3 3179 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [1,1,0,0,0,0|0,0,0]=2 3180 B10R0.44 COC(=O)CC(=O)C[N+](=O)[O-] 1458a_100000211351_100000761209 [1,1,0,0,0,0|2,0,0]=4 3181 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [1,1,0,0,0,0|1,0,0]=3 3182 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [1,1,0,0,0,0|1,0,0]=3 3183 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [1,1,0,0,0,0|2,0,0]=4 3184 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [1,1,0,0,0,0|2,0,0]=4 3185 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [1,1,0,0,0,0|2,0,0]=4 3186 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [1,1,0,0,0,0|2,0,0]=4 3187 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [1,1,0,0,0,0|2,0,0]=4 3188 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [1,1,0,0,0,0|2,0,0]=4 3189 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [1,1,0,0,0,0|2,0,0]=4 3190 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [1,1,0,0,0,0|2,0,0]=4 3191 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [1,1,0,0,0,0|1,0,1]=4 3192 B10R0.44 COC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010850 [1,1,0,0,0,0|2,0,0]=4 3193 B10R0.46 C#CC(C)C(=O)CC(=O)OC 1458a_100000211351_200000035995 [1,1,0,0,0,0|0,0,2]=4 3194 B10R0.46 C/C=C(\C)/C(=O)CC(=O)CC 1458a_100020587367_100000747405 [1,1,0,0,0,0|0,0,2]=4 3195 B10R0.46 C/C=C(\C)/C(=O)CC(=O)OC 1458a_100020587367_100000747449 [1,1,0,0,0,0|0,0,2]=4 3196 B10R0.46 C=CC(C)C(=O)CC(=O)CC 1458a_100011216780_100000747405 [1,1,0,0,0,0|0,0,2]=4 3197 B10R0.46 C=CC(C)C(=O)CC(=O)OC 1458a_100011216780_100000747449 [1,1,0,0,0,0|0,0,2]=4 3198 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [1,1,0,0,0,0|1,0,1]=4 3199 B10R0.46 CCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747405 [1,1,0,0,0,0|1,0,1]=4 3200 B10R0.46 CCC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000747405 [1,1,0,0,0,0|1,0,1]=4 3201 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [1,1,0,0,0,0|0,0,0]=2 3202 B10R0.46 CCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747405 [1,1,0,0,0,0|1,0,0]=3 3203 B10R0.46 CCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747405 [1,1,0,0,0,0|1,0,0]=3 3204 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [1,1,0,0,0,0|0,0,0]=2 3205 B10R0.46 CCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747405 [1,1,0,0,0,0|1,0,0]=3 3206 B10R0.46 CCC(=O)CC(=O)N(C)CC 1458a_100000210414_100011894763 [1,1,0,0,0,0|1,0,0]=3 3207 B10R0.46 CCC(=O)CC(=O)N(C)OC 1458a_100000210414_100000764215 [1,1,0,0,0,0|2,0,0]=4 3208 B10R0.46 CCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747405 [1,1,0,0,0,0|2,0,0]=4 3209 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [1,1,0,0,0,0|1,0,0]=3 3210 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [1,1,0,0,0,0|0,0,0]=2 3211 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [1,1,0,0,0,0|0,0,0]=2 3212 B10R0.46 CCC(C)C(=O)CN(C)CC 1458a_100116209913_100000758301 [1,1,0,0,0,0|2,0,0]=4 3213 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [1,1,0,0,0,0|1,0,1]=4 3214 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [1,1,0,0,0,0|1,0,1]=4 3215 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [1,1,0,0,0,0|1,0,1]=4 3216 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [1,1,0,0,0,0|1,0,1]=4 3217 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [1,1,0,0,0,0|2,0,0]=4 3218 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [1,1,0,0,0,0|2,0,0]=4 3219 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [1,1,0,0,0,0|2,0,0]=4 3220 B10R0.46 CCC(O)C(=O)CC(=O)NC 1458a_100011196387_100000183359 [1,1,0,0,0,0|1,0,0]=3 3221 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [1,1,0,0,0,0|0,0,0]=2 3222 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [1,1,0,0,0,0|1,0,1]=4 3223 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [1,1,0,0,0,0|0,0,2]=4 3224 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [1,1,0,0,0,0|0,0,2]=4 3225 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [1,1,0,0,0,0|0,0,2]=4 3226 B10R0.46 CCN(C)C(=O)CC(=O)CO 1458a_100000210174_100011894763 [1,1,0,0,0,0|2,0,0]=4 3227 B10R0.46 CCN(C)C(=O)CC(=O)OC 240690a_100000225621_100000211351 [1,1,0,0,0,0|1,0,0]=3 3228 B10R0.46 CNC(=O)C(=O)CC(=O)OC 1458a_100011218921_100000747449 [1,1,0,0,0,0|1,0,1]=4 3229 B10R0.46 CNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183359 [1,1,0,0,0,0|2,0,0]=4 3230 B10R0.46 CNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183359 [1,1,0,0,0,0|2,0,0]=4 3231 B10R0.46 CNC(=O)CC(=O)C(O)CO 1458a_100011215603_100000183359 [1,1,0,0,0,0|2,0,0]=4 3232 B10R0.46 COC(=O)CC(=O)C(C)C#N 1458a_100000211351_100000703298 [1,1,0,0,0,0|1,0,1]=4 3233 B10R0.46 COC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000747449 [1,1,0,0,0,0|1,0,1]=4 3234 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [1,1,0,0,0,0|1,0,0]=3 3235 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [1,1,0,0,0,0|1,0,0]=3 3236 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [1,1,0,0,0,0|1,0,0]=3 3237 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [1,1,0,0,0,0|1,0,0]=3 3238 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [1,1,0,0,0,0|1,0,0]=3 3239 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [1,1,0,0,0,0|1,0,0]=3 3240 B10R0.46 COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747449 [1,1,0,0,0,0|1,0,0]=3 3241 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [1,1,0,0,0,0|0,0,2]=4 3242 B10R0.148 CCCS(=O)(=O)NC(=O)CC 2740a_100000171175_100000210414 [1,1,0,0,0,0|2,0,0]=4 3243 B10R0.148 CCNS(=O)(=O)CC(=O)OC 270084a_100015525214_100000736875 [1,1,0,0,0,0|2,0,0]=4 3244 B10R0.148 CCNS(=O)(=O)CC(=O)OC 274078a_100015525214_100000736875 [1,1,0,0,0,0|2,0,0]=4 3245 B10R0.148 CCO[Si](C)(C)CC(=O)CC 1458a_100000210414_200000065227 [1,1,0,0,0,0|1,1,0]=4 3246 B10R0.32 C=C(C)CC(=O)C(=O)NCC 1458a_200011297158_100000748629 [0,1,0,0,1,0|1,0,1]=4 3247 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,1,0,0,1,0|2,0,0]=4 3248 B10R0.32 CC(C)NC(=O)C(=O)CCF 1458a_100011220036_100011217306 [0,1,0,0,1,0|2,0,0]=4 3249 B10R0.32 CC(C)NC(=O)C(=O)CCO 1458a_100011220036_100000211926 [0,1,0,0,1,0|2,0,0]=4 3250 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,1,0,0,1,0|2,0,0]=4 3251 B10R0.32 CC/C=C(\C)/C(=O)CC(C)O 1458a_100016988807_100011218427 [0,1,0,0,1,0|2,0,0]=4 3252 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,1,0|1,0,0]=3 3253 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,1,0|1,0,0]=3 3254 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,1,0,0,1,0|1,0,0]=3 3255 B10R0.32 CCNC(=O)C(=O)CC(F)F 1458a_200011297158_100011934356 [0,1,0,0,1,0|2,0,0]=4 3256 B10R0.32 CCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297158 [0,1,0,0,1,0|2,0,0]=4 3257 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100015525214_100011220036 [0,1,0,0,1,0|2,0,0]=4 3258 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297158 [0,1,0,0,1,0|2,0,0]=4 3259 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100015525214_100011220036 [0,1,0,0,1,0|2,0,0]=4 3260 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297158 [0,1,0,0,1,0|2,0,0]=4 3261 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,1,0|1,0,0]=3 3262 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,1,0,0,1,0|1,0,0]=3 3263 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,1,0,0,1,0|1,0,0]=3 3264 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,1,0,0,1,0|1,0,0]=3 3265 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,1,0,0,1,0|1,0,1]=4 3266 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,1,0,0,1,0|1,0,1]=4 3267 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,1,0,0,1,0|1,0,1]=4 3268 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,1,0,0,1,0|1,0,1]=4 3269 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,1,0,0,1,0|1,0,1]=4 3270 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,1,0,0,1,0|0,0,2]=4 3271 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,1,0,0,1,0|0,0,2]=4 3272 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,1,0,0,1,0|0,0,2]=4 3273 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,1,0,0,1,0|0,0,2]=4 3274 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,1,0,0,1,0|0,0,2]=4 3275 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,1,0,0,1,0|0,1,1]=4 3276 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,1,0,0,1,0|0,1,1]=4 3277 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,1,0,0,1,0|0,1,1]=4 3278 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,1,0,0,1,0|0,1,1]=4 3279 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,1,0,0,1,0|1,0,1]=4 3280 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,1,0,0,1,0|1,0,1]=4 3281 B10R0.129 CCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210303 [0,1,0,0,1,0|1,0,1]=4 3282 B12R0.69 C#CCC(=O)C(C)CC(=O)OCC 1458a_100011220946_100009817359 [0,1,0,0,0,1|0,0,2]=4 3283 B12R0.69 C#CCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100011220946 [0,1,0,0,0,1|0,0,2]=4 3284 B12R0.69 C#CCC(=O)N(C)CC(=O)OCC 527a_100000220588_100011220946 [0,1,0,0,0,1|0,0,2]=4 3285 B12R0.69 C#CCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100011220946 [0,1,0,0,0,1|0,0,2]=4 3286 B12R0.69 C=C(CN(C)CCC)C(=O)OCC 269982a_100000747261_100000755967 [0,1,0,0,0,1|2,0,0]=4 3287 B12R0.69 C=CCC(=O)C(C)CC(=O)OCC 1458a_100000210193_100009817359 [0,1,0,0,0,1|0,0,2]=4 3288 B12R0.69 C=CCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210193 [0,1,0,0,0,1|0,0,2]=4 3289 B12R0.69 C=CCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210193 [0,1,0,0,0,1|0,0,2]=4 3290 B12R0.69 C=CCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210193 [0,1,0,0,0,1|0,0,2]=4 3291 B12R0.69 C=CCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000210193 [0,1,0,0,0,1|0,0,2]=4 3292 B12R0.69 C=CCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210193 [0,1,0,0,0,1|0,0,2]=4 3293 B12R0.69 CC#CC(=O)C(C)CC(=O)OCC 1458a_100000763181_100009817359 [0,1,0,0,0,1|0,0,2]=4 3294 B12R0.69 CC/C=C(\C)/C(=O)CC(=O)CCC 1458a_100016988807_100000747444 [0,1,0,0,0,1|2,0,0]=4 3295 B12R0.69 CC/C=C(\C)/C(=O)CC(=O)OCC 1458a_100016988807_100000188475 [0,1,0,0,0,1|1,0,1]=4 3296 B12R0.69 CC=CC(=O)C(C)CC(=O)OCC 1458a_100000210699_100009817359 [0,1,0,0,0,1|0,0,2]=4 3297 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210699 [0,1,0,0,0,1|0,0,2]=4 3298 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210699 [0,1,0,0,0,1|0,0,2]=4 3299 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210699 [0,1,0,0,0,1|0,0,2]=4 3300 B12R0.69 CC=CC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210699 [0,1,0,0,0,1|0,0,2]=4 3301 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [0,1,0,0,0,1|0,0,0]=2 3302 B12R0.69 CCCC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000747444 [0,1,0,0,0,1|1,0,0]=3 3303 B12R0.69 CCCC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000747444 [0,1,0,0,0,1|1,0,1]=4 3304 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 11a_100000741943_100000211992 [0,1,0,0,0,1|1,0,0]=3 3305 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 1626a_100000741943_100000211992 [0,1,0,0,0,1|1,0,0]=3 3306 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 240690a_100000741943_100000211992 [0,1,0,0,0,1|1,0,0]=3 3307 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 527a_100000741943_100000211992 [0,1,0,0,0,1|1,0,0]=3 3308 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211992 [0,1,0,0,0,1|0,0,0]=2 3309 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211992 [0,1,0,0,0,1|0,0,0]=2 3310 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211992 [0,1,0,0,0,1|0,0,0]=2 3311 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211992 [0,1,0,0,0,1|0,0,0]=2 3312 B12R0.69 CCCC(=O)NC(C)C(=O)CCC 1458a_100000205598_100000210303 [0,1,0,0,0,1|1,0,0]=3 3313 B12R0.69 CCCC(=O)NC(C)C(=O)CCF 1458a_100000205598_100011217306 [0,1,0,0,0,1|2,0,0]=4 3314 B12R0.69 CCCC(=O)NC(C)C(=O)CCO 1458a_100000205598_100000211926 [0,1,0,0,0,1|2,0,0]=4 3315 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100000736553_100000211992 [0,1,0,0,0,1|1,0,0]=3 3316 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100015525214_100000205598 [0,1,0,0,0,1|1,0,0]=3 3317 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 1626a_100000736553_100000211992 [0,1,0,0,0,1|1,0,0]=3 3318 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100000736553_100000211992 [0,1,0,0,0,1|1,0,0]=3 3319 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100015525214_100000205598 [0,1,0,0,0,1|1,0,0]=3 3320 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100000736553_100000211992 [0,1,0,0,0,1|1,0,0]=3 3321 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100015525214_100000205598 [0,1,0,0,0,1|1,0,0]=3 3322 B12R0.69 CCCC(=O)NC(C)C(=O)NNC 22a_100016993582_100000205598 [0,1,0,0,0,1|2,0,0]=4 3323 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 11a_100103168634_100000211992 [0,1,0,0,0,1|0,1,0]=3 3324 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 1626a_100103168634_100000211992 [0,1,0,0,0,1|0,1,0]=3 3325 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 240690a_100103168634_100000211992 [0,1,0,0,0,1|0,1,0]=3 3326 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 527a_100103168634_100000211992 [0,1,0,0,0,1|0,1,0]=3 3327 B12R0.69 CCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211992 [0,1,0,0,0,1|0,0,0]=2 3328 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000210906_100000188475 [0,1,0,0,0,1|1,0,1]=4 3329 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_100000766640 [0,1,0,0,0,1|1,0,1]=4 3330 B12R0.69 CCCC(C)N(C)CC(=O)OCC 2230a_100000220588_100000766640 [0,1,0,0,0,1|1,0,1]=4 3331 B12R0.69 CCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211909 [0,1,0,0,0,1|1,0,1]=4 3332 B12R0.69 CCCC(C)NC(C)C(=O)OCC 2230a_100000741246_100011215307 [0,1,0,0,0,1|1,0,1]=4 3333 B12R0.69 CCCC(C)NC(F)C(=O)OCC 2230a_100000741246_100000760018 [0,1,0,0,0,1|1,0,1]=4 3334 B12R0.69 CCCC(C)OC(C)C(=O)OCC 34a_100000764384_100011216346 [0,1,0,0,0,1|1,0,1]=4 3335 B12R0.69 CCCC(C)OC(C)C(=O)OCC 7a_100000764384_100011216346 [0,1,0,0,0,1|1,0,1]=4 3336 B12R0.69 CCCC(C)OC(F)C(=O)OCC 34a_100000764384_100000760018 [0,1,0,0,0,1|1,0,1]=4 3337 B12R0.69 CCCC(C)OC(F)C(=O)OCC 7a_100000764384_100000040065 [0,1,0,0,0,1|1,0,1]=4 3338 B12R0.69 CCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_100000766640 [0,1,0,0,0,1|1,0,1]=4 3339 B12R0.69 CCCC(C)SC(C)C(=O)OCC 62a_100000766640_100011216346 [0,1,0,0,0,1|1,0,1]=4 3340 B12R0.69 CCCC(C)SC(C)C(=O)OCC 62a_100011216346_100000766640 [0,1,0,0,0,1|1,0,1]=4 3341 B12R0.69 CCCC(C)SC(F)C(=O)OCC 62a_100000760018_100000766640 [0,1,0,0,0,1|1,0,1]=4 3342 B12R0.69 CCCC(C)SC(F)C(=O)OCC 62a_100000766640_100000760018 [0,1,0,0,0,1|1,0,1]=4 3343 B12R0.69 CCCN(C)C(=O)CC(=O)OCC 240690a_100000747261_100000243816 [0,1,0,0,0,1|2,0,0]=4 3344 B12R0.69 CCCN(C)C(C)CC(=O)OCC 2230a_100000747261_100009817359 [0,1,0,0,0,1|2,0,0]=4 3345 B12R0.69 CCCN(C)C(C)CC(=O)OCC 269982a_100000747261_100009817359 [0,1,0,0,0,1|2,0,0]=4 3346 B12R0.69 CCCN(C)C(C)OC(=O)OCC 269982a_100000747261_100000036008 [0,1,0,0,0,1|2,0,0]=4 3347 B12R0.69 CCCN(C)CC(=O)C(=O)OCC 269982a_100000747261_100000211299 [0,1,0,0,0,1|2,0,0]=4 3348 B12R0.69 CCC[C@H](O)C(=O)CC(=O)OCC 1458a_100009822183_100000188475 [0,1,0,0,0,1|0,0,2]=4 3349 B12R0.69 CCNC(=O)C(=O)CC(=O)OCC 1458a_200011297158_100000188475 [0,1,0,0,0,1|1,0,0]=3 3350 B12R0.69 CCNC(=O)C(C)NC(=O)CCO 240690a_100000736553_100011216618 [0,1,0,0,0,1|2,0,0]=4 3351 B12R0.69 CCNC(=O)C(C)NC(=O)COC 11a_100000736553_100000210968 [0,1,0,0,0,1|2,0,0]=4 3352 B12R0.69 CCNC(=O)C(C)NC(=O)COC 1626a_100000736553_100000210968 [0,1,0,0,0,1|2,0,0]=4 3353 B12R0.69 CCNC(=O)C(C)NC(=O)COC 240690a_100000736553_100000210968 [0,1,0,0,0,1|2,0,0]=4 3354 B12R0.69 CCNC(=O)C(C)NC(=O)COC 527a_100000736553_100000210968 [0,1,0,0,0,1|2,0,0]=4 3355 B12R0.69 CCNC(=O)C(C)NC(=O)CSC 11a_100000736553_100000184570 [0,1,0,0,0,1|2,0,0]=4 3356 B12R0.69 CCNC(=O)C(C)NC(=O)CSC 1626a_100000736553_100000184570 [0,1,0,0,0,1|2,0,0]=4 3357 B12R0.69 CCNC(=O)C(C)NC(=O)CSC 240690a_100000736553_100000184570 [0,1,0,0,0,1|2,0,0]=4 3358 B12R0.69 CCNC(=O)C(C)NC(=O)CSC 527a_100000736553_100000184570 [0,1,0,0,0,1|2,0,0]=4 3359 B12R0.69 CCNC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000183381 [0,1,0,0,0,1|2,0,0]=4 3360 B12R0.69 CCNC(=O)CN(C)C(=O)CCO 240690a_100000741943_100011216618 [0,1,0,0,0,1|2,0,0]=4 3361 B12R0.69 CCNC(=O)CN(C)C(=O)COC 11a_100000741943_100000210968 [0,1,0,0,0,1|2,0,0]=4 3362 B12R0.69 CCNC(=O)CN(C)C(=O)COC 1626a_100000741943_100000210968 [0,1,0,0,0,1|2,0,0]=4 3363 B12R0.69 CCNC(=O)CN(C)C(=O)COC 240690a_100000741943_100000210968 [0,1,0,0,0,1|2,0,0]=4 3364 B12R0.69 CCNC(=O)CN(C)C(=O)COC 527a_100000741943_100000210968 [0,1,0,0,0,1|2,0,0]=4 3365 B12R0.69 CCNC(=O)CN(C)C(=O)CSC 11a_100000741943_100000184570 [0,1,0,0,0,1|2,0,0]=4 3366 B12R0.69 CCNC(=O)CN(C)C(=O)CSC 1626a_100000741943_100000184570 [0,1,0,0,0,1|2,0,0]=4 3367 B12R0.69 CCNC(=O)CN(C)C(=O)CSC 240690a_100000741943_100000184570 [0,1,0,0,0,1|2,0,0]=4 3368 B12R0.69 CCNC(=O)CN(C)C(=O)CSC 527a_100000741943_100000184570 [0,1,0,0,0,1|2,0,0]=4 3369 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 2708a_100015525214_100000741943 [0,1,0,0,0,1|2,0,0]=4 3370 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 273464a_100015525214_100000741943 [0,1,0,0,0,1|2,0,0]=4 3371 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 2708a_100015525214_100000736553 [0,1,0,0,0,1|2,0,0]=4 3372 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 273464a_100000736553_100015525214 [0,1,0,0,0,1|2,0,0]=4 3373 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100000736553_100015525214 [0,1,0,0,0,1|2,0,0]=4 3374 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100015525214_100000736553 [0,1,0,0,0,1|2,0,0]=4 3375 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100015525214_100103168634 [0,1,0,0,0,1|1,1,0]=4 3376 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100103168634_100015525214 [0,1,0,0,0,1|1,1,0]=4 3377 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100015525214_100103168634 [0,1,0,0,0,1|1,1,0]=4 3378 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100103168634_100015525214 [0,1,0,0,0,1|1,1,0]=4 3379 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100015525214_100103168634 [0,1,0,0,0,1|1,1,0]=4 3380 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100103168634_100015525214 [0,1,0,0,0,1|1,1,0]=4 3381 B12R0.69 CCOC(=O)CC(C)C(=O)CC#N 1458a_100051588842_100009817359 [0,1,0,0,0,1|1,0,1]=4 3382 B12R0.69 CCOC(=O)CC(C)C(=O)CCO 1458a_100011216618_100009817359 [0,1,0,0,0,1|1,0,0]=3 3383 B12R0.69 CCOC(=O)CC(C)C(=O)COC 1458a_100000210968_100009817359 [0,1,0,0,0,1|1,0,0]=3 3384 B12R0.69 CCOC(=O)CC(C)C(=O)CSC 1458a_100000184570_100009817359 [0,1,0,0,0,1|1,0,0]=3 3385 B12R0.69 CCOC(=O)CN(C)C(=O)CC#N 1626a_100000220588_100051588842 [0,1,0,0,0,1|1,0,1]=4 3386 B12R0.69 CCOC(=O)CN(C)C(=O)CC#N 240690a_100000220588_100051588842 [0,1,0,0,0,1|1,0,1]=4 3387 B12R0.69 CCOC(=O)CN(C)C(=O)CCO 240690a_100000220588_100011216618 [0,1,0,0,0,1|1,0,0]=3 3388 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 2230a_106832991635_100000754419 [0,1,0,0,0,1|1,0,0]=3 3389 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 34a_100102657272_100000754419 [0,1,0,0,0,1|1,0,0]=3 3390 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 7a_106832991635_100000754419 [0,1,0,0,0,1|1,0,0]=3 3391 B12R0.69 CCOC(=O)CN(C)C(=O)COC 11a_100000220588_100000210968 [0,1,0,0,0,1|1,0,0]=3 3392 B12R0.69 CCOC(=O)CN(C)C(=O)COC 1626a_100000220588_100000210968 [0,1,0,0,0,1|1,0,0]=3 3393 B12R0.69 CCOC(=O)CN(C)C(=O)COC 240690a_100000220588_100000210968 [0,1,0,0,0,1|1,0,0]=3 3394 B12R0.69 CCOC(=O)CN(C)C(=O)COC 34a_100138415774_100000754419 [0,1,0,0,0,1|1,0,0]=3 3395 B12R0.69 CCOC(=O)CN(C)C(=O)COC 527a_100000220588_100000210968 [0,1,0,0,0,1|1,0,0]=3 3396 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 11a_100000220588_100000184570 [0,1,0,0,0,1|1,0,0]=3 3397 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 1626a_100000220588_100000184570 [0,1,0,0,0,1|1,0,0]=3 3398 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 240690a_100000220588_100000184570 [0,1,0,0,0,1|1,0,0]=3 3399 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 527a_100000220588_100000184570 [0,1,0,0,0,1|1,0,0]=3 3400 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 62a_100000754419_200000210301 [0,1,0,0,0,1|1,0,0]=3 3401 B12R0.69 CCOC(=O)CN(C)C(=O)CS[13CH3] 62a_100000754419_200025704644 [0,1,0,0,0,1|1,0,0]=3 3402 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)COC 188690a_100016988386_100000210968 [0,1,0,0,0,1|1,0,0]=3 3403 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)CSC 188690a_100016988386_100000184570 [0,1,0,0,0,1|1,0,0]=3 3404 B12R0.69 CCSC(=O)[C@H](C)NC(=O)CCO 240690a_100103168634_100011216618 [0,1,0,0,0,1|1,1,0]=4 3405 B12R0.69 CCSC(=O)[C@H](C)NC(=O)COC 11a_100103168634_100000210968 [0,1,0,0,0,1|1,1,0]=4 3406 B12R0.69 CCSC(=O)[C@H](C)NC(=O)COC 1626a_100103168634_100000210968 [0,1,0,0,0,1|1,1,0]=4 3407 B12R0.69 CCSC(=O)[C@H](C)NC(=O)COC 240690a_100103168634_100000210968 [0,1,0,0,0,1|1,1,0]=4 3408 B12R0.69 CCSC(=O)[C@H](C)NC(=O)COC 527a_100103168634_100000210968 [0,1,0,0,0,1|1,1,0]=4 3409 B12R0.69 CCSC(=O)[C@H](C)NC(=O)CSC 11a_100103168634_100000184570 [0,1,0,0,0,1|1,1,0]=4 3410 B12R0.69 CCSC(=O)[C@H](C)NC(=O)CSC 1626a_100103168634_100000184570 [0,1,0,0,0,1|1,1,0]=4 3411 B12R0.69 CCSC(=O)[C@H](C)NC(=O)CSC 240690a_100103168634_100000184570 [0,1,0,0,0,1|1,1,0]=4 3412 B12R0.69 CCSC(=O)[C@H](C)NC(=O)CSC 527a_100103168634_100000184570 [0,1,0,0,0,1|1,1,0]=4 3413 B12R0.74 C#CC(CCC)OCC(=O)OCC 34a_200011217317_100000188475 [0,1,0,0,0,1|1,0,1]=4 3414 B12R0.74 C#CC(CCC)OCC(=O)OCC 7a_200011217317_100000188475 [0,1,0,0,0,1|1,0,1]=4 3415 B12R0.74 C=CC(CCC)OCC(=O)OCC 34a_100011216692_100000188475 [0,1,0,0,0,1|1,0,1]=4 3416 B12R0.74 C=CC(CCC)OCC(=O)OCC 7a_100011216692_100000188475 [0,1,0,0,0,1|1,0,1]=4 3417 B12R0.74 CCCC(=O)NCC(CC)OCC 11a_100015183923_100000211992 [0,1,0,0,0,1|1,0,1]=4 3418 B12R0.74 CCCC(=O)NCC(CC)OCC 1626a_100015183923_100000211992 [0,1,0,0,0,1|1,0,1]=4 3419 B12R0.74 CCCC(=O)NCC(CC)OCC 240690a_100015183923_100000211992 [0,1,0,0,0,1|1,0,1]=4 3420 B12R0.74 CCCC(=O)NCC(CC)OCC 527a_100015183923_100000211992 [0,1,0,0,0,1|1,0,1]=4 3421 B12R0.74 CCCC(C#N)OCC(=O)OCC 34a_100000686963_100000188475 [0,1,0,0,0,1|1,0,1]=4 3422 B12R0.74 CCCC(C#N)OCC(=O)OCC 7a_100000686963_100000188475 [0,1,0,0,0,1|1,0,1]=4 3423 B12R0.74 CCCC(CC)NCC(=O)OCC 2230a_100000747048_100000188475 [0,1,0,0,0,1|1,0,1]=4 3424 B12R0.74 CCCC(CC)OCC(=O)OCC 34a_100000687864_100000188475 [0,1,0,0,0,1|1,0,1]=4 3425 B12R0.74 CCCC(CC)OCC(=O)OCC 7a_100000687864_100000188475 [0,1,0,0,0,1|1,0,1]=4 3426 B12R0.74 CCCC(CC)SCC(=O)OCC 62a_100000188475_100011219200 [0,1,0,0,0,1|1,0,1]=4 3427 B12R0.74 CCCC(CC)SCC(=O)OCC 62a_100011219200_100000188475 [0,1,0,0,0,1|1,0,1]=4 3428 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_100000226822_100011206558 [0,1,0,0,0,1|2,0,0]=4 3429 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210303 [0,1,0,0,0,1|2,0,0]=4 3430 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_100000226822_100011206558 [0,1,0,0,0,1|2,0,0]=4 3431 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210303 [0,1,0,0,0,1|2,0,0]=4 3432 B12R0.74 CCC[C@@H](CO)NCC(=O)OCC 2230a_100000732646_100000188475 [0,1,0,0,0,1|0,0,2]=4 3433 B12R0.74 CCC[C@@H](CO)NCC(=O)OCC 34a_100000732646_100000188475 [0,1,0,0,0,1|0,0,2]=4 3434 B12R0.79 C#CC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200000035995 [0,1,0,0,0,1|0,0,2]=4 3435 B12R0.79 C#CC(C)C(=O)CNC(=O)OCC 1458a_100000190774_200000035995 [0,1,0,0,0,1|0,0,2]=4 3436 B12R0.79 C/C=C(\C)/C(=O)COC(=O)CCC 1458a_100020587367_100000034017 [0,1,0,0,0,1|1,0,1]=4 3437 B12R0.79 C/C=C(\C)/C(=O)NCC(=O)OCC 188690a_100000741813_100020587367 [0,1,0,0,0,1|0,0,2]=4 3438 B12R0.79 C=C(CO)C(=O)NCC(=O)OCC 188690a_100000741813_200000705526 [0,1,0,0,0,1|1,0,1]=4 3439 B12R0.79 C=CC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100011216780 [0,1,0,0,0,1|0,0,2]=4 3440 B12R0.79 CCC(C)C(=O)NCC(=O)CCF 1458a_100000743532_100011217306 [0,1,0,0,0,1|2,0,0]=4 3441 B12R0.79 CCC(C)C(=O)NCC(=O)CCO 1458a_100000743532_100000211926 [0,1,0,0,0,1|2,0,0]=4 3442 B12R0.79 CCC(C)C(=O)NCC(=O)NNC 22a_100016993582_100000743532 [0,1,0,0,0,1|2,0,0]=4 3443 B12R0.79 CCCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210303 [0,1,0,0,0,1|1,0,0]=3 3444 B12R0.79 CCCC(=O)NCC(=O)N(C)OC 11a_100015207273_100000211992 [0,1,0,0,0,1|2,0,0]=4 3445 B12R0.79 CCCC(=O)NCC(=O)N(C)OC 527a_100015207273_100000211992 [0,1,0,0,0,1|2,0,0]=4 3446 B12R0.79 CCCC(=O)NNC(=O)C(C)CC 22a_100000189770_100011192722 [0,1,0,0,0,1|2,0,0]=4 3447 B12R0.79 CCCC(=O)NNC(=O)C(C)CC 22a_100000740736_100000211992 [0,1,0,0,0,1|2,0,0]=4 3448 B12R0.79 CCCC(=O)NNC(=O)C(O)CC 22a_100000189770_100011196387 [0,1,0,0,0,1|2,0,0]=4 3449 B12R0.79 CCCC(=O)OCC(=O)C(=O)NC 1458a_100011218921_100000034017 [0,1,0,0,0,1|2,0,0]=4 3450 B12R0.79 CCCC(=O)OCC(=O)C(C)CC 1458a_100011192722_100000034017 [0,1,0,0,0,1|1,0,0]=3 3451 B12R0.79 CCCC(=O)OCC(=O)C(C)OC 1458a_100000743197_100000034017 [0,1,0,0,0,1|2,0,0]=4 3452 B12R0.79 CCCC(=O)OCC(=O)C(C)SC 1458a_100000149566_100000034017 [0,1,0,0,0,1|2,0,0]=4 3453 B12R0.79 CCCC(=O)OCC(=O)C(O)CC 1458a_100011196387_100000034017 [0,1,0,0,0,1|1,0,0]=3 3454 B12R0.79 CCCC(=O)OCC(=O)C(O)CO 1458a_100011215603_100000034017 [0,1,0,0,0,1|2,0,0]=4 3455 B12R0.79 CCNC(=O)CCC(=O)C(C)CC 1458a_100000199579_100000758301 [0,1,0,0,0,1|1,0,0]=3 3456 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 11a_100000225621_100000199579 [0,1,0,0,0,1|2,0,0]=4 3457 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000199579 [0,1,0,0,0,1|2,0,0]=4 3458 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000199579 [0,1,0,0,0,1|2,0,0]=4 3459 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 11a_100015525214_100000743532 [0,1,0,0,0,1|1,0,0]=3 3460 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 11a_100016988866_100011192722 [0,1,0,0,0,1|1,0,0]=3 3461 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 1626a_100016988866_100011192722 [0,1,0,0,0,1|1,0,0]=3 3462 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 240690a_100015525214_100000743532 [0,1,0,0,0,1|1,0,0]=3 3463 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 240690a_100016988866_100011192722 [0,1,0,0,0,1|1,0,0]=3 3464 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 527a_100015525214_100000743532 [0,1,0,0,0,1|1,0,0]=3 3465 B12R0.79 CCNC(=O)CNC(=O)C(C)CC 527a_100016988866_100011192722 [0,1,0,0,0,1|1,0,0]=3 3466 B12R0.79 CCNC(=O)CNC(=O)C(C)OC 11a_100016988866_100000743197 [0,1,0,0,0,1|2,0,0]=4 3467 B12R0.79 CCNC(=O)CNC(=O)C(C)OC 1626a_100016988866_100000743197 [0,1,0,0,0,1|2,0,0]=4 3468 B12R0.79 CCNC(=O)CNC(=O)C(C)OC 240690a_100016988866_100000743197 [0,1,0,0,0,1|2,0,0]=4 3469 B12R0.79 CCNC(=O)CNC(=O)C(C)OC 527a_100016988866_100000743197 [0,1,0,0,0,1|2,0,0]=4 3470 B12R0.79 CCNC(=O)CNC(=O)C(C)SC 11a_100016988866_100000149566 [0,1,0,0,0,1|2,0,0]=4 3471 B12R0.79 CCNC(=O)CNC(=O)C(C)SC 1626a_100016988866_100000149566 [0,1,0,0,0,1|2,0,0]=4 3472 B12R0.79 CCNC(=O)CNC(=O)C(C)SC 240690a_100016988866_100000149566 [0,1,0,0,0,1|2,0,0]=4 3473 B12R0.79 CCNC(=O)CNC(=O)C(C)SC 527a_100016988866_100000149566 [0,1,0,0,0,1|2,0,0]=4 3474 B12R0.79 CCNC(=O)CNC(=O)C(O)CC 240690a_100016988866_100011196387 [0,1,0,0,0,1|1,0,0]=3 3475 B12R0.79 CCNC(=O)CNC(=O)C(O)CO 240690a_100016988866_100011215603 [0,1,0,0,0,1|2,0,0]=4 3476 B12R0.79 CCNC(=O)CNC(=O)N(C)CC 2708a_100016988866_100000225621 [0,1,0,0,0,1|2,0,0]=4 3477 B12R0.79 CCNC(=O)CNC(=O)N(C)CC 273464a_100016988866_100000225621 [0,1,0,0,0,1|2,0,0]=4 3478 B12R0.79 CCNC(=O)NNC(=O)C(C)CC 273464a_100015525214_100000740736 [0,1,0,0,0,1|2,0,0]=4 3479 B12R0.79 CCNC(=O)NNC(=O)C(C)CC 512a_100000740736_100015525214 [0,1,0,0,0,1|2,0,0]=4 3480 B12R0.79 CCNC(=O)NNC(=O)C(C)CC 512a_100015525214_100000740736 [0,1,0,0,0,1|2,0,0]=4 3481 B12R0.79 CCOC(=O)C=CC(=O)C(C)CC 1458a_100000210415_100000758301 [0,1,0,0,0,1|0,0,1]=3 3482 B12R0.79 CCOC(=O)C=CC(=O)N(C)CC 1626a_100000225621_100000210415 [0,1,0,0,0,1|1,0,1]=4 3483 B12R0.79 CCOC(=O)C=CC(=O)N(C)CC 240690a_100000225621_100000210415 [0,1,0,0,0,1|1,0,1]=4 3484 B12R0.79 CCOC(=O)CCC(=O)C(C)C#N 1458a_100000183558_100000703298 [0,1,0,0,0,1|1,0,1]=4 3485 B12R0.79 CCOC(=O)CCC(=O)C(C)CC 1458a_100000183558_100000758301 [0,1,0,0,0,1|0,0,0]=2 3486 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 11a_100000225621_100000183558 [0,1,0,0,0,1|1,0,0]=3 3487 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000183558 [0,1,0,0,0,1|1,0,0]=3 3488 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000183558 [0,1,0,0,0,1|1,0,0]=3 3489 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000741768_100011206558 [0,1,0,0,0,1|2,0,0]=4 3490 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000745921_100000758301 [0,1,0,0,0,1|2,0,0]=4 3491 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000741768_100011206558 [0,1,0,0,0,1|2,0,0]=4 3492 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000745921_100000758301 [0,1,0,0,0,1|2,0,0]=4 3493 B12R0.79 CCOC(=O)CNC(=O)C(C)C#N 188690a_100000741813_100000753662 [0,1,0,0,0,1|1,0,1]=4 3494 B12R0.79 CCOC(=O)CNC(=O)C(C)CC 188690a_100000741813_100011192722 [0,1,0,0,0,1|0,0,0]=2 3495 B12R0.79 CCOC(=O)CNC(=O)C(C)OC 188690a_100000741813_100000743197 [0,1,0,0,0,1|1,0,0]=3 3496 B12R0.79 CCOC(=O)CNC(=O)C(C)SC 188690a_100000741813_100000149566 [0,1,0,0,0,1|1,0,0]=3 3497 B12R0.79 CCOC(=O)CNC(=O)C(O)CC 188690a_100000741813_100011196387 [0,1,0,0,0,1|0,0,0]=2 3498 B12R0.79 CCOC(=O)CNC(=O)C(O)CO 188690a_100000741813_100011215603 [0,1,0,0,0,1|1,0,0]=3 3499 B12R0.79 CCOC(=O)COC(C)C(C)CC 7a_100011215189_100000188475 [0,1,0,0,0,1|1,0,1]=4 3500 B12R0.79 CCOC(=O)NCC(=O)C(C)C#N 1458a_100000190774_100000703298 [0,1,0,0,0,1|1,0,1]=4 3501 B12R0.79 CCOC(=O)NCC(=O)C(C)CC 1458a_100000190774_100000758301 [0,1,0,0,0,1|0,0,0]=2 3502 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 11a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 3503 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 1626a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 3504 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 240690a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 3505 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 527a_100000225621_100000190774 [0,1,0,0,0,1|1,0,0]=3 3506 B12R0.101 C#CCC(=O)COC(=O)OCCC 1458a_100011220946_200000139673 [0,1,0,0,0,1|0,0,2]=4 3507 B12R0.101 C#CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000753159 [0,1,0,0,0,1|0,0,2]=4 3508 B12R0.101 C#CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000753159 [0,1,0,0,0,1|1,0,1]=4 3509 B12R0.101 C#CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000753159 [0,1,0,0,0,1|0,0,1]=3 3510 B12R0.101 C#CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000753159 [0,1,0,0,0,1|0,0,1]=3 3511 B12R0.101 C#CCCC(=O)COC(=O)CCC 1458a_100000692101_100000034017 [0,1,0,0,0,1|1,0,1]=4 3512 B12R0.101 C#CCCC(=O)NCC(=O)NCC 11a_100016988866_100000692101 [0,1,0,0,0,1|1,0,1]=4 3513 B12R0.101 C#CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000692101 [0,1,0,0,0,1|1,0,1]=4 3514 B12R0.101 C#CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000692101 [0,1,0,0,0,1|1,0,1]=4 3515 B12R0.101 C#CCCC(=O)NCC(=O)NCC 527a_100016988866_100000692101 [0,1,0,0,0,1|1,0,1]=4 3516 B12R0.101 C#CCNC(=O)CCC(=O)OCC 11a_100000212058_100000183558 [0,1,0,0,0,1|0,0,2]=4 3517 B12R0.101 C#CCNC(=O)CCC(=O)OCC 1626a_100000212058_100000183558 [0,1,0,0,0,1|0,0,2]=4 3518 B12R0.101 C#CCNC(=O)CCC(=O)OCC 240690a_100000212058_100000183558 [0,1,0,0,0,1|0,0,2]=4 3519 B12R0.101 C#CCNC(=O)CNC(=O)CCC 11a_100000747989_100000211992 [0,1,0,0,0,1|1,0,1]=4 3520 B12R0.101 C#CCNC(=O)CNC(=O)CCC 1626a_100000747989_100000211992 [0,1,0,0,0,1|1,0,1]=4 3521 B12R0.101 C#CCNC(=O)CNC(=O)CCC 240690a_100000747989_100000211992 [0,1,0,0,0,1|1,0,1]=4 3522 B12R0.101 C#CCNC(=O)CNC(=O)CCC 527a_100000747989_100000211992 [0,1,0,0,0,1|1,0,1]=4 3523 B12R0.101 C#CCNC(=O)CNC(=O)OCC 11a_100000212058_100000190774 [0,1,0,0,0,1|0,0,2]=4 3524 B12R0.101 C#CCNC(=O)CNC(=O)OCC 1626a_100000212058_100000190774 [0,1,0,0,0,1|0,0,2]=4 3525 B12R0.101 C#CCNC(=O)CNC(=O)OCC 240690a_100000212058_100000190774 [0,1,0,0,0,1|0,0,2]=4 3526 B12R0.101 C#CCNC(=O)CNC(=O)OCC 527a_100000212058_100000190774 [0,1,0,0,0,1|0,0,2]=4 3527 B12R0.101 C/C=C/CC(=O)C=CC(=O)OCC 1458a_100000210415_100102629194 [0,1,0,0,0,1|0,0,2]=4 3528 B12R0.101 C/C=C/CC(=O)CCC(=O)NCC 1458a_100000199579_100102629194 [0,1,0,0,0,1|1,0,1]=4 3529 B12R0.101 C/C=C/CC(=O)CCC(=O)OCC 1458a_100000183558_100102629194 [0,1,0,0,0,1|0,0,1]=3 3530 B12R0.101 C/C=C/CC(=O)CNC(=O)OCC 1458a_100000190774_100102629194 [0,1,0,0,0,1|0,0,1]=3 3531 B12R0.101 C=CCC(=O)COC(=O)OCCC 1458a_100000210193_200000139673 [0,1,0,0,0,1|0,0,2]=4 3532 B12R0.101 C=CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000754431 [0,1,0,0,0,1|0,0,2]=4 3533 B12R0.101 C=CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000754431 [0,1,0,0,0,1|1,0,1]=4 3534 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,1,0,0,0,1|0,0,1]=3 3535 B12R0.101 C=CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000754431 [0,1,0,0,0,1|0,0,1]=3 3536 B12R0.101 C=CCCC(=O)COC(=O)CCC 1458a_100000749702_100000034017 [0,1,0,0,0,1|1,0,1]=4 3537 B12R0.101 C=CCCC(=O)NCC(=O)NCC 11a_100016988866_100000749702 [0,1,0,0,0,1|1,0,1]=4 3538 B12R0.101 C=CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000749702 [0,1,0,0,0,1|1,0,1]=4 3539 B12R0.101 C=CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000749702 [0,1,0,0,0,1|1,0,1]=4 3540 B12R0.101 C=CCCC(=O)NCC(=O)NCC 527a_100016988866_100000749702 [0,1,0,0,0,1|1,0,1]=4 3541 B12R0.101 C=CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749702 [0,1,0,0,0,1|0,0,1]=3 3542 B12R0.101 C=CCNC(=O)CCC(=O)OCC 1626a_100020586998_100000183558 [0,1,0,0,0,1|0,0,2]=4 3543 B12R0.101 C=CCNC(=O)CCC(=O)OCC 240690a_100020586998_100000183558 [0,1,0,0,0,1|0,0,2]=4 3544 B12R0.101 C=CCNC(=O)CNC(=O)OCC 1626a_100020586998_100000190774 [0,1,0,0,0,1|0,0,2]=4 3545 B12R0.101 C=CCNC(=O)CNC(=O)OCC 240690a_100020586998_100000190774 [0,1,0,0,0,1|0,0,2]=4 3546 B12R0.101 C=CCNC(=O)CNC(=O)OCC 527a_100020586998_100000190774 [0,1,0,0,0,1|0,0,2]=4 3547 B12R0.101 C=CCOC(=O)NCC(=O)CCC 1458a_100000216761_100000210303 [0,1,0,0,0,1|0,0,1]=3 3548 B12R0.101 C=CCOC(=O)NCC(=O)CCF 1458a_100000216761_100011217306 [0,1,0,0,0,1|1,0,1]=4 3549 B12R0.101 C=CCOC(=O)NCC(=O)CCO 1458a_100000216761_100000211926 [0,1,0,0,0,1|1,0,1]=4 3550 B12R0.101 C=CCOC(=O)NCC(=O)NCC 11a_100015525214_100000216761 [0,1,0,0,0,1|1,0,1]=4 3551 B12R0.101 C=CCOC(=O)NCC(=O)NCC 240690a_100015525214_100000216761 [0,1,0,0,0,1|1,0,1]=4 3552 B12R0.101 C=CCOC(=O)NCC(=O)NCC 527a_100015525214_100000216761 [0,1,0,0,0,1|1,0,1]=4 3553 B12R0.101 CC#CC(=O)COC(=O)OCCC 1458a_100000763181_200000139673 [0,1,0,0,0,1|0,0,2]=4 3554 B12R0.101 CC#CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000748600 [0,1,0,0,0,1|0,0,2]=4 3555 B12R0.101 CC#CCC(=O)CCC(=O)NCC 1458a_100000199579_100000748600 [0,1,0,0,0,1|1,0,1]=4 3556 B12R0.101 CC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000748600 [0,1,0,0,0,1|0,0,1]=3 3557 B12R0.101 CC#CCC(=O)CNC(=O)OCC 1458a_100000190774_100000748600 [0,1,0,0,0,1|0,0,1]=3 3558 B12R0.101 CC=CC(=O)COC(=O)OCCC 1458a_100000210699_200000139673 [0,1,0,0,0,1|0,0,2]=4 3559 B12R0.101 CC=CC(=O)NCC(=O)NCCC 11a_100000174927_100000210699 [0,1,0,0,0,1|1,0,1]=4 3560 B12R0.101 CC=CC(=O)NCC(=O)NCCC 1626a_100000174927_100000210699 [0,1,0,0,0,1|1,0,1]=4 3561 B12R0.101 CC=CC(=O)NCC(=O)NCCC 240690a_100000174927_100000210699 [0,1,0,0,0,1|1,0,1]=4 3562 B12R0.101 CC=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000070051 [0,1,0,0,0,1|0,0,2]=4 3563 B12R0.101 CC=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000070051 [0,1,0,0,0,1|1,0,1]=4 3564 B12R0.101 CC=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000070051 [0,1,0,0,0,1|0,0,1]=3 3565 B12R0.101 CC=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000070051 [0,1,0,0,0,1|0,0,1]=3 3566 B12R0.101 CC=CCC(=O)COC(=O)CCC 1458a_100121576822_100000034017 [0,1,0,0,0,1|1,0,1]=4 3567 B12R0.101 CC=CCC(=O)NCC(=O)NCC 11a_100016988866_100121576822 [0,1,0,0,0,1|1,0,1]=4 3568 B12R0.101 CC=CCC(=O)NCC(=O)NCC 1626a_100016988866_100121576822 [0,1,0,0,0,1|1,0,1]=4 3569 B12R0.101 CC=CCC(=O)NCC(=O)NCC 240690a_100016988866_100121576822 [0,1,0,0,0,1|1,0,1]=4 3570 B12R0.101 CC=CCC(=O)NCC(=O)NCC 527a_100016988866_100121576822 [0,1,0,0,0,1|1,0,1]=4 3571 B12R0.101 CC=CCC(=O)NCC(=O)OCC 188690a_100000741813_100121576822 [0,1,0,0,0,1|0,0,1]=3 3572 B12R0.101 CCC#CC(=O)COC(=O)CCC 1458a_100011827653_100000034017 [0,1,0,0,0,1|1,0,0]=3 3573 B12R0.101 CCC#CC(=O)NNC(=O)CCC 22a_100000189770_100011827653 [0,1,0,0,0,1|2,0,0]=4 3574 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [0,1,0,0,0,1|1,0,0]=3 3575 B12R0.101 CCC=CC(=O)NCC(=O)NCC 11a_100016988866_100000212282 [0,1,0,0,0,1|1,0,1]=4 3576 B12R0.101 CCC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000212282 [0,1,0,0,0,1|1,0,1]=4 3577 B12R0.101 CCC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000212282 [0,1,0,0,0,1|1,0,1]=4 3578 B12R0.101 CCC=CC(=O)NNC(=O)CCC 22a_100000189770_100000212282 [0,1,0,0,0,1|2,0,0]=4 3579 B12R0.101 CCCC(=NNC(=O)COCC)C 4a_100000216846_100000211909 [0,1,0,0,0,1|2,0,0]=4 3580 B12R0.101 CCCC(=O)COC(C)COCC 7a_100000718985_100000747444 [0,1,0,0,0,1|1,0,1]=4 3581 B12R0.101 CCCC(=O)NCC(=O)NCCF 11a_100000725713_100000211992 [0,1,0,0,0,1|1,0,0]=3 3582 B12R0.101 CCCC(=O)NCC(=O)NCCF 1626a_100000725713_100000211992 [0,1,0,0,0,1|1,0,0]=3 3583 B12R0.101 CCCC(=O)NCC(=O)NCCF 240690a_100000725713_100000211992 [0,1,0,0,0,1|1,0,0]=3 3584 B12R0.101 CCCC(=O)NCC(=O)NCCF 527a_100000725713_100000211992 [0,1,0,0,0,1|1,0,0]=3 3585 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,1,0,0,0,1|0,0,2]=4 3586 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,1,0,0,0,1|0,0,2]=4 3587 B12R0.101 CCCC(=O)NNC(=O)CCOC 22a_100000189770_100000749529 [0,1,0,0,0,1|2,0,0]=4 3588 B12R0.101 CCCC(=O)NNC(=O)CCOC 22a_100011260505_100000211992 [0,1,0,0,0,1|2,0,0]=4 3589 B12R0.101 CCCC(=O)NNC(=O)CCSC 22a_100000189770_100000174002 [0,1,0,0,0,1|2,0,0]=4 3590 B12R0.101 CCCC(=O)NNC(=O)COCC 22a_100000189770_100000211967 [0,1,0,0,0,1|1,0,0]=3 3591 B12R0.101 CCCC(=O)NNC(=O)COCC 22a_100000216846_100000211992 [0,1,0,0,0,1|1,0,0]=3 3592 B12R0.101 CCCC(=O)NNC(=O)CSCC 22a_100000189770_100000230394 [0,1,0,0,0,1|1,1,0]=4 3593 B12R0.101 CCCC(=O)NNC(=O)NCCF 273464a_100000724931_100000189770 [0,1,0,0,0,1|2,0,0]=4 3594 B12R0.101 CCCC(=O)NNC(=O)NCCF 512a_100000189770_100000724931 [0,1,0,0,0,1|2,0,0]=4 3595 B12R0.101 CCCC(=O)NNC(=O)NCCO 273464a_100000210304_100000189770 [0,1,0,0,0,1|2,0,0]=4 3596 B12R0.101 CCCC(=O)NNC(=O)NCCO 512a_100000189770_100000210304 [0,1,0,0,0,1|2,0,0]=4 3597 B12R0.101 CCCC(=O)NNC(=O)NNCC 512a_100000189770_100000756455 [0,1,0,0,0,1|2,0,0]=4 3598 B12R0.101 CCCC(=O)OCC(=O)C#CCO 1458a_100000049017_100000034017 [0,1,0,0,0,1|1,0,1]=4 3599 B12R0.101 CCCC(=O)OCC(=O)C=COC 1458a_100016268678_100000034017 [0,1,0,0,0,1|1,0,1]=4 3600 B12R0.101 CCCC(=O)OCC(=O)CCC#N 1458a_100011934036_100000034017 [0,1,0,0,0,1|1,0,1]=4 3601 B12R0.101 CCCC(=O)OCC(=O)CCOC 1458a_100000749529_100000034017 [0,1,0,0,0,1|1,0,0]=3 3602 B12R0.101 CCCC(=O)OCC(=O)CCSC 1458a_100000174002_100000034017 [0,1,0,0,0,1|1,0,0]=3 3603 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,1,0,0,0,1|0,0,0]=2 3604 B12R0.101 CCCC(=O)OCC(=O)CSCC 1458a_100000230394_100000034017 [0,1,0,0,0,1|0,1,0]=3 3605 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,1,0,0,0,1|0,0,1]=3 3606 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,1,0,0,0,1|1,0,0]=3 3607 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,1,0,0,0,1|0,0,0]=2 3608 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,1,0,0,0,1|0,0,0]=2 3609 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,1,0,0,0,1|1,0,0]=3 3610 B12R0.101 CCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210183 [0,1,0,0,0,1|1,0,0]=3 3611 B12R0.101 CCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210183 [0,1,0,0,0,1|1,0,0]=3 3612 B12R0.101 CCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210183 [0,1,0,0,0,1|1,0,0]=3 3613 B12R0.101 CCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210183 [0,1,0,0,0,1|1,0,0]=3 3614 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,1,0,0,0,1|0,0,0]=2 3615 B12R0.101 CCCCC(=O)NNC(=O)CCC 22a_100000189769_100000211992 [0,1,0,0,0,1|2,0,0]=4 3616 B12R0.101 CCCCC(=O)NNC(=O)CCC 22a_100000189770_100000210183 [0,1,0,0,0,1|2,0,0]=4 3617 B12R0.101 CCCCC(=O)NNC(=O)NCC 273464a_100015525214_100000189769 [0,1,0,0,0,1|2,0,0]=4 3618 B12R0.101 CCCCC(=O)NNC(=O)NCC 512a_100000189769_100015525214 [0,1,0,0,0,1|2,0,0]=4 3619 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,1,0,0,0,1|1,0,1]=4 3620 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,1,0,0,0,1|1,0,1]=4 3621 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,1,0,0,0,1|1,0,1]=4 3622 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,1,0,0,0,1|1,0,1]=4 3623 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,1,0,0,0,1|1,0,1]=4 3624 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,1,0,0,0,1|2,0,0]=4 3625 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,1,0,0,0,1|2,0,0]=4 3626 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,1,0,0,0,1|2,0,0]=4 3627 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,1,0,0,0,1|2,0,0]=4 3628 B12R0.101 CCCNC(=O)C=CC(=O)OCC 1626a_100020643023_100000210415 [0,1,0,0,0,1|0,0,1]=3 3629 B12R0.101 CCCNC(=O)C=CC(=O)OCC 240690a_100020643023_100000210415 [0,1,0,0,0,1|0,0,1]=3 3630 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,1,0,0,0,1|1,0,0]=3 3631 B12R0.101 CCCNC(=O)CCC(=O)CCF 1458a_100000199543_100011217306 [0,1,0,0,0,1|2,0,0]=4 3632 B12R0.101 CCCNC(=O)CCC(=O)CCO 1458a_100000199543_100000211926 [0,1,0,0,0,1|2,0,0]=4 3633 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [0,1,0,0,0,1|1,0,0]=3 3634 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [0,1,0,0,0,1|1,0,0]=3 3635 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [0,1,0,0,0,1|1,0,0]=3 3636 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [0,1,0,0,0,1|1,0,0]=3 3637 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [0,1,0,0,0,1|1,0,0]=3 3638 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [0,1,0,0,0,1|1,0,0]=3 3639 B12R0.101 CCCNC(=O)CCC(=O)NNC 22a_100016993582_100000199543 [0,1,0,0,0,1|2,0,0]=4 3640 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,1,0,0,0,1|0,0,0]=2 3641 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,1,0,0,0,1|0,0,0]=2 3642 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,1,0,0,0,1|0,0,0]=2 3643 B12R0.101 CCCNC(=O)CNC(=O)CCC 11a_100000174927_100000211992 [0,1,0,0,0,1|1,0,0]=3 3644 B12R0.101 CCCNC(=O)CNC(=O)CCC 1626a_100000174927_100000211992 [0,1,0,0,0,1|1,0,0]=3 3645 B12R0.101 CCCNC(=O)CNC(=O)CCC 240690a_100000174927_100000211992 [0,1,0,0,0,1|1,0,0]=3 3646 B12R0.101 CCCNC(=O)CNC(=O)CCC 527a_100000174927_100000211992 [0,1,0,0,0,1|1,0,0]=3 3647 B12R0.101 CCCNC(=O)CNC(=O)CCO 240690a_100000174927_100011216618 [0,1,0,0,0,1|2,0,0]=4 3648 B12R0.101 CCCNC(=O)CNC(=O)COC 11a_100000174927_100000210968 [0,1,0,0,0,1|2,0,0]=4 3649 B12R0.101 CCCNC(=O)CNC(=O)COC 1626a_100000174927_100000210968 [0,1,0,0,0,1|2,0,0]=4 3650 B12R0.101 CCCNC(=O)CNC(=O)COC 240690a_100000174927_100000210968 [0,1,0,0,0,1|2,0,0]=4 3651 B12R0.101 CCCNC(=O)CNC(=O)COC 527a_100000174927_100000210968 [0,1,0,0,0,1|2,0,0]=4 3652 B12R0.101 CCCNC(=O)CNC(=O)CSC 11a_100000174927_100000184570 [0,1,0,0,0,1|2,0,0]=4 3653 B12R0.101 CCCNC(=O)CNC(=O)CSC 1626a_100000174927_100000184570 [0,1,0,0,0,1|2,0,0]=4 3654 B12R0.101 CCCNC(=O)CNC(=O)CSC 240690a_100000174927_100000184570 [0,1,0,0,0,1|2,0,0]=4 3655 B12R0.101 CCCNC(=O)CNC(=O)CSC 527a_100000174927_100000184570 [0,1,0,0,0,1|2,0,0]=4 3656 B12R0.101 CCCNC(=O)CNC(=O)NCC 2708a_100015525214_100000174927 [0,1,0,0,0,1|1,0,0]=3 3657 B12R0.101 CCCNC(=O)CNC(=O)NCC 273464a_100000174927_100015525214 [0,1,0,0,0,1|1,0,0]=3 3658 B12R0.101 CCCNC(=O)CNC(=O)NCC 273464a_100015525214_100000174927 [0,1,0,0,0,1|1,0,0]=3 3659 B12R0.101 CCCNC(=O)CNC(=O)NCC 512a_100000174927_100015525214 [0,1,0,0,0,1|1,0,0]=3 3660 B12R0.101 CCCNC(=O)CNC(=O)NCC 512a_100015525214_100000174927 [0,1,0,0,0,1|1,0,0]=3 3661 B12R0.101 CCCNC(=O)CNC(=O)NNC 273464a_100000174927_100016993582 [0,1,0,0,0,1|2,0,0]=4 3662 B12R0.101 CCCNC(=O)CNC(=O)NNC 512a_100000174927_100016993582 [0,1,0,0,0,1|2,0,0]=4 3663 B12R0.101 CCCNC(=O)CNC(=O)NNC 512a_100016993582_100000174927 [0,1,0,0,0,1|2,0,0]=4 3664 B12R0.101 CCCNC(=O)CNC(=O)OCC 11a_100020643023_100000190774 [0,1,0,0,0,1|0,0,0]=2 3665 B12R0.101 CCCNC(=O)CNC(=O)OCC 1626a_100020643023_100000190774 [0,1,0,0,0,1|0,0,0]=2 3666 B12R0.101 CCCNC(=O)CNC(=O)OCC 240690a_100020643023_100000190774 [0,1,0,0,0,1|0,0,0]=2 3667 B12R0.101 CCCNC(=O)CNC(=O)OCC 527a_100020643023_100000190774 [0,1,0,0,0,1|0,0,0]=2 3668 B12R0.101 CCCNC(=O)NCC(=O)NCC 2708a_100016988866_100020643023 [0,1,0,0,0,1|1,0,0]=3 3669 B12R0.101 CCCNC(=O)NCC(=O)NCC 2708a_100020643023_100016988866 [0,1,0,0,0,1|1,0,0]=3 3670 B12R0.101 CCCNC(=O)NCC(=O)NCC 273464a_100016988866_100020643023 [0,1,0,0,0,1|1,0,0]=3 3671 B12R0.101 CCCNC(=O)NCC(=O)NCC 273464a_100020643023_100016988866 [0,1,0,0,0,1|1,0,0]=3 3672 B12R0.101 CCCNC(=O)NCC(=O)NCC 512a_100016988866_100020643023 [0,1,0,0,0,1|1,0,0]=3 3673 B12R0.101 CCCNC(=O)NCC(=O)NCC 512a_100020643023_100016988866 [0,1,0,0,0,1|1,0,0]=3 3674 B12R0.101 CCCNC(=O)NNC(=O)CCC 273464a_100020643023_100000189770 [0,1,0,0,0,1|2,0,0]=4 3675 B12R0.101 CCCNC(=O)NNC(=O)CCC 512a_100000189770_100020643023 [0,1,0,0,0,1|2,0,0]=4 3676 B12R0.101 CCCOC(=O)CNC(C)CCC 2230a_100000741246_200011215008 [0,1,0,0,0,1|1,0,1]=4 3677 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,1,0,0,0,1|1,0,1]=4 3678 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,1,0,0,0,1|1,0,1]=4 3679 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_100000766640_200011215008 [0,1,0,0,0,1|1,0,1]=4 3680 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_200011215008_100000766640 [0,1,0,0,0,1|1,0,1]=4 3681 B12R0.101 CCCOC(=O)OCC(=O)CC#N 1458a_100051588842_200000139673 [0,1,0,0,0,1|1,0,1]=4 3682 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [0,1,0,0,0,1|0,0,0]=2 3683 B12R0.101 CCCOC(=O)OCC(=O)CCO 1458a_100011216618_200000139673 [0,1,0,0,0,1|1,0,0]=3 3684 B12R0.101 CCCOC(=O)OCC(=O)COC 1458a_100000210968_200000139673 [0,1,0,0,0,1|1,0,0]=3 3685 B12R0.101 CCCOC(=O)OCC(=O)CSC 1458a_100000184570_200000139673 [0,1,0,0,0,1|1,0,0]=3 3686 B12R0.101 CCCOC(=O)OCN(C)CCC 269982a_100000747261_200000139673 [0,1,0,0,0,1|2,0,0]=4 3687 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,1,0,0,0,1|1,0,1]=4 3688 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,1,0,0,0,1|1,0,1]=4 3689 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,1,0,0,0,1|1,0,1]=4 3690 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,1,0,0,0,1|1,0,1]=4 3691 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,1,0,0,0,1|1,0,1]=4 3692 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,1,0,0,0,1|1,0,1]=4 3693 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,1,0,0,0,1|1,0,1]=4 3694 B12R0.101 CCNC(=O)CCC(=O)CCC#N 1458a_100000199579_100011215226 [0,1,0,0,0,1|1,0,1]=4 3695 B12R0.101 CCNC(=O)CCC(=O)CCCF 1458a_100000199579_100011934791 [0,1,0,0,0,1|1,0,0]=3 3696 B12R0.101 CCNC(=O)CCC(=O)CCCO 1458a_100000199579_100011215043 [0,1,0,0,0,1|1,0,0]=3 3697 B12R0.101 CCNC(=O)CCC(=O)CCOC 1458a_100000199579_100000233755 [0,1,0,0,0,1|1,0,0]=3 3698 B12R0.101 CCNC(=O)CCC(=O)CCSC 1458a_100000199579_100000751147 [0,1,0,0,0,1|1,0,0]=3 3699 B12R0.101 CCNC(=O)CCC(=O)NCCF 11a_100000724931_100000199579 [0,1,0,0,0,1|2,0,0]=4 3700 B12R0.101 CCNC(=O)CCC(=O)NCCF 1626a_100000724931_100000199579 [0,1,0,0,0,1|2,0,0]=4 3701 B12R0.101 CCNC(=O)CCC(=O)NCCF 240690a_100000724931_100000199579 [0,1,0,0,0,1|2,0,0]=4 3702 B12R0.101 CCNC(=O)CCC(=O)NCCO 240690a_100000210304_100000199579 [0,1,0,0,0,1|2,0,0]=4 3703 B12R0.101 CCNC(=O)CNC(=O)CCC#N 11a_100016988866_100011934036 [0,1,0,0,0,1|1,0,1]=4 3704 B12R0.101 CCNC(=O)CNC(=O)CCC#N 1626a_100016988866_100011934036 [0,1,0,0,0,1|1,0,1]=4 3705 B12R0.101 CCNC(=O)CNC(=O)CCC#N 240690a_100016988866_100011934036 [0,1,0,0,0,1|1,0,1]=4 3706 B12R0.101 CCNC(=O)CNC(=O)CCC#N 527a_100016988866_100011934036 [0,1,0,0,0,1|1,0,1]=4 3707 B12R0.101 CCNC(=O)CNC(=O)CCOC 11a_100016988866_100000749529 [0,1,0,0,0,1|1,0,0]=3 3708 B12R0.101 CCNC(=O)CNC(=O)CCOC 1626a_100016988866_100000749529 [0,1,0,0,0,1|1,0,0]=3 3709 B12R0.101 CCNC(=O)CNC(=O)CCOC 240690a_100016988866_100000749529 [0,1,0,0,0,1|1,0,0]=3 3710 B12R0.101 CCNC(=O)CNC(=O)CCOC 527a_100016988866_100000749529 [0,1,0,0,0,1|1,0,0]=3 3711 B12R0.101 CCNC(=O)CNC(=O)CCSC 11a_100016988866_100000174002 [0,1,0,0,0,1|1,0,0]=3 3712 B12R0.101 CCNC(=O)CNC(=O)CCSC 1626a_100016988866_100000174002 [0,1,0,0,0,1|1,0,0]=3 3713 B12R0.101 CCNC(=O)CNC(=O)CCSC 240690a_100016988866_100000174002 [0,1,0,0,0,1|1,0,0]=3 3714 B12R0.101 CCNC(=O)CNC(=O)CCSC 527a_100016988866_100000174002 [0,1,0,0,0,1|1,0,0]=3 3715 B12R0.101 CCNC(=O)CNC(=O)COCC 11a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 3716 B12R0.101 CCNC(=O)CNC(=O)COCC 1626a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 3717 B12R0.101 CCNC(=O)CNC(=O)COCC 240690a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 3718 B12R0.101 CCNC(=O)CNC(=O)COCC 527a_100016988866_100000211967 [0,1,0,0,0,1|1,0,0]=3 3719 B12R0.101 CCNC(=O)CNC(=O)CSCC 11a_100016988866_100000230394 [0,1,0,0,0,1|1,0,0]=3 3720 B12R0.101 CCNC(=O)CNC(=O)CSCC 1626a_100016988866_100000230394 [0,1,0,0,0,1|1,0,0]=3 3721 B12R0.101 CCNC(=O)CNC(=O)CSCC 240690a_100016988866_100000230394 [0,1,0,0,0,1|1,0,0]=3 3722 B12R0.101 CCNC(=O)CNC(=O)CSCC 527a_100016988866_100000230394 [0,1,0,0,0,1|1,0,0]=3 3723 B12R0.101 CCNC(=O)CNC(=O)NCCF 2708a_100016988866_100000724931 [0,1,0,0,0,1|2,0,0]=4 3724 B12R0.101 CCNC(=O)CNC(=O)NCCF 273464a_100000724931_100016988866 [0,1,0,0,0,1|2,0,0]=4 3725 B12R0.101 CCNC(=O)CNC(=O)NCCF 273464a_100016988866_100000724931 [0,1,0,0,0,1|2,0,0]=4 3726 B12R0.101 CCNC(=O)CNC(=O)NCCF 512a_100016988866_100000724931 [0,1,0,0,0,1|2,0,0]=4 3727 B12R0.101 CCNC(=O)CNC(=O)NCCO 2708a_100016988866_100000210304 [0,1,0,0,0,1|2,0,0]=4 3728 B12R0.101 CCNC(=O)CNC(=O)NCCO 273464a_100000210304_100016988866 [0,1,0,0,0,1|2,0,0]=4 3729 B12R0.101 CCNC(=O)CNC(=O)NCCO 273464a_100016988866_100000210304 [0,1,0,0,0,1|2,0,0]=4 3730 B12R0.101 CCNC(=O)CNC(=O)NCCO 512a_100016988866_100000210304 [0,1,0,0,0,1|2,0,0]=4 3731 B12R0.101 CCNC(=O)NCC(=O)NCCF 2708a_100015525214_100000725713 [0,1,0,0,0,1|2,0,0]=4 3732 B12R0.101 CCNC(=O)NCC(=O)NCCF 273464a_100000725713_100015525214 [0,1,0,0,0,1|2,0,0]=4 3733 B12R0.101 CCNC(=O)NCC(=O)NCCF 273464a_100015525214_100000725713 [0,1,0,0,0,1|2,0,0]=4 3734 B12R0.101 CCNC(=O)NCC(=O)NCCF 512a_100015525214_100000725713 [0,1,0,0,0,1|2,0,0]=4 3735 B12R0.101 CCNC(=O)NNC(=O)CCOC 273464a_100015525214_100011260505 [0,1,0,0,0,1|2,0,0]=4 3736 B12R0.101 CCNC(=O)NNC(=O)COCC 273464a_100015525214_100000216846 [0,1,0,0,0,1|2,0,0]=4 3737 B12R0.101 CCNCC(=O)NCC(=O)OCC 2230a_100015525214_100011215850 [0,1,0,0,0,1|0,0,0]=2 3738 B12R0.101 CCNN=C(C)CCC(=O)OCC 4a_100000756455_100011212338 [0,1,0,0,0,1|2,0,0]=4 3739 B12R0.101 CCNNC(=O)CCC(=O)NCC 22a_100000756455_100000199579 [0,1,0,0,0,1|2,0,0]=4 3740 B12R0.101 CCNNC(=O)CNC(=O)OCC 22a_100000756455_100000190774 [0,1,0,0,0,1|1,0,0]=3 3741 B12R0.101 CCNNC(=O)NCC(=O)NCC 273464a_100016988866_100000756455 [0,1,0,0,0,1|2,0,0]=4 3742 B12R0.101 CCNNC(=O)NCC(=O)NCC 512a_100000756455_100016988866 [0,1,0,0,0,1|2,0,0]=4 3743 B12R0.101 CCNNC(=O)NCC(=O)NCC 512a_100016988866_100000756455 [0,1,0,0,0,1|2,0,0]=4 3744 B12R0.101 CCOC(=O)C=CC(=O)CCC#N 1458a_100000210415_100011215226 [0,1,0,0,0,1|0,0,2]=4 3745 B12R0.101 CCOC(=O)C=CC(=O)CCCF 1458a_100000210415_100011934791 [0,1,0,0,0,1|0,0,1]=3 3746 B12R0.101 CCOC(=O)C=CC(=O)CCCO 1458a_100000210415_100011215043 [0,1,0,0,0,1|0,0,1]=3 3747 B12R0.101 CCOC(=O)C=CC(=O)CCOC 1458a_100000210415_100000233755 [0,1,0,0,0,1|0,0,1]=3 3748 B12R0.101 CCOC(=O)C=CC(=O)CCSC 1458a_100000210415_100000751147 [0,1,0,0,0,1|0,0,1]=3 3749 B12R0.101 CCOC(=O)C=CC(=O)NCCF 1626a_100000724931_100000210415 [0,1,0,0,0,1|1,0,1]=4 3750 B12R0.101 CCOC(=O)C=CC(=O)NCCF 240690a_100000724931_100000210415 [0,1,0,0,0,1|1,0,1]=4 3751 B12R0.101 CCOC(=O)C=CC(=O)NCCO 240690a_100000210304_100000210415 [0,1,0,0,0,1|1,0,1]=4 3752 B12R0.101 CCOC(=O)CCC(=O)CCC#N 1458a_100000183558_100011215226 [0,1,0,0,0,1|0,0,1]=3 3753 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,1,0,0,0,1|0,0,0]=2 3754 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,1,0,0,0,1|0,0,0]=2 3755 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,1,0,0,0,1|0,0,0]=2 3756 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,1,0,0,0,1|0,0,0]=2 3757 B12R0.101 CCOC(=O)CCC(=O)NCC#N 1626a_100000734998_100000183558 [0,1,0,0,0,1|1,0,1]=4 3758 B12R0.101 CCOC(=O)CCC(=O)NCCF 11a_100000724931_100000183558 [0,1,0,0,0,1|1,0,0]=3 3759 B12R0.101 CCOC(=O)CCC(=O)NCCF 1626a_100000724931_100000183558 [0,1,0,0,0,1|1,0,0]=3 3760 B12R0.101 CCOC(=O)CCC(=O)NCCF 240690a_100000724931_100000183558 [0,1,0,0,0,1|1,0,0]=3 3761 B12R0.101 CCOC(=O)CCC(=O)NCCO 240690a_100000210304_100000183558 [0,1,0,0,0,1|1,0,0]=3 3762 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [0,1,0,0,0,1|2,0,0]=4 3763 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [0,1,0,0,0,1|2,0,0]=4 3764 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,1,0,0,0,1|2,0,0]=4 3765 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,1,0,0,0,1|2,0,0]=4 3766 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,1,0,0,0,1|2,0,0]=4 3767 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,1,0,0,0,1|2,0,0]=4 3768 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [0,1,0,0,0,1|2,0,0]=4 3769 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [0,1,0,0,0,1|2,0,0]=4 3770 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [0,1,0,0,0,1|2,0,0]=4 3771 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [0,1,0,0,0,1|2,0,0]=4 3772 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [0,1,0,0,0,1|2,0,0]=4 3773 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [0,1,0,0,0,1|2,0,0]=4 3774 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [0,1,0,0,0,1|2,0,0]=4 3775 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [0,1,0,0,0,1|2,0,0]=4 3776 B12R0.101 CCOC(=O)CNC(=O)CCOC 188690a_100000741813_100000749529 [0,1,0,0,0,1|0,0,0]=2 3777 B12R0.101 CCOC(=O)CNC(=O)CCSC 188690a_100000741813_100000174002 [0,1,0,0,0,1|0,0,0]=2 3778 B12R0.101 CCOC(=O)CNC(=O)CSCC 188690a_100000741813_100000230394 [0,1,0,0,0,1|0,0,0]=2 3779 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100000210202_100011215850 [0,1,0,0,0,1|0,0,0]=2 3780 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100011215850_100000210202 [0,1,0,0,0,1|0,0,0]=2 3781 B12R0.101 CCOC(=O)CNC(=O)CSCF 62a_100011215850_100015361967 [0,1,0,0,0,1|1,0,0]=3 3782 B12R0.101 CCOC(=O)CNC(=O)CSCF 62a_100015361967_100011215850 [0,1,0,0,0,1|1,0,0]=3 3783 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,1,0,0,0,1|1,0,1]=4 3784 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,1,0,0,0,1|1,0,1]=4 3785 B12R0.101 CCOC(=O)NCC(=O)CCC#N 1458a_100000190774_100011215226 [0,1,0,0,0,1|0,0,1]=3 3786 B12R0.101 CCOC(=O)NCC(=O)CCCF 1458a_100000190774_100011934791 [0,1,0,0,0,1|0,0,0]=2 3787 B12R0.101 CCOC(=O)NCC(=O)CCCO 1458a_100000190774_100011215043 [0,1,0,0,0,1|0,0,0]=2 3788 B12R0.101 CCOC(=O)NCC(=O)CCOC 1458a_100000190774_100000233755 [0,1,0,0,0,1|0,0,0]=2 3789 B12R0.101 CCOC(=O)NCC(=O)CCSC 1458a_100000190774_100000751147 [0,1,0,0,0,1|0,0,0]=2 3790 B12R0.101 CCOC(=O)NCC(=O)NCC#N 1626a_100000734998_100000190774 [0,1,0,0,0,1|1,0,1]=4 3791 B12R0.101 CCOC(=O)NCC(=O)NCC#N 527a_100000734998_100000190774 [0,1,0,0,0,1|1,0,1]=4 3792 B12R0.101 CCOC(=O)NCC(=O)NCCF 11a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 3793 B12R0.101 CCOC(=O)NCC(=O)NCCF 1626a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 3794 B12R0.101 CCOC(=O)NCC(=O)NCCF 240690a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 3795 B12R0.101 CCOC(=O)NCC(=O)NCCF 527a_100000724931_100000190774 [0,1,0,0,0,1|1,0,0]=3 3796 B12R0.101 CCOC(=O)NCC(=O)NCCO 240690a_100000210304_100000190774 [0,1,0,0,0,1|1,0,0]=3 3797 B12R0.101 CCOC(=O)NCC(=O)NCCO 527a_100000210304_100000190774 [0,1,0,0,0,1|1,0,0]=3 3798 B12R0.101 CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000211967 [0,1,0,0,0,1|0,0,0]=2 3799 B12R0.101 CCOCC(=O)NCC(=O)OCC 34a_100121572206_100011215850 [0,1,0,0,0,1|0,0,0]=2 3800 B12R0.101 CCOCC(=O)NNC(=O)CCO 22a_100000216846_100011216618 [0,1,0,0,0,1|2,0,0]=4 3801 B12R0.101 CCOCC(=O)NNC(=O)COC 22a_100000216845_100000211967 [0,1,0,0,0,1|2,0,0]=4 3802 B12R0.101 CCOCC(=O)NNC(=O)COC 22a_100000216846_100000210968 [0,1,0,0,0,1|2,0,0]=4 3803 B12R0.101 CCOCC(=O)NNC(=O)CSC 22a_100000216846_100000184570 [0,1,0,0,0,1|2,0,0]=4 3804 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,1,0,0,0,1|1,0,1]=4 3805 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,1,0,0,0,1|1,0,1]=4 3806 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,1,0,0,0,1|2,0,0]=4 3807 B12R0.101 COCC(=O)NCC(=O)NCCF 11a_100000725713_100000210968 [0,1,0,0,0,1|2,0,0]=4 3808 B12R0.101 COCC(=O)NCC(=O)NCCF 1626a_100000725713_100000210968 [0,1,0,0,0,1|2,0,0]=4 3809 B12R0.101 COCC(=O)NCC(=O)NCCF 240690a_100000725713_100000210968 [0,1,0,0,0,1|2,0,0]=4 3810 B12R0.101 COCC(=O)NCC(=O)NCCF 527a_100000725713_100000210968 [0,1,0,0,0,1|2,0,0]=4 3811 B12R0.101 CSCC(=O)NCC(=O)NCCF 11a_100000725713_100000184570 [0,1,0,0,0,1|2,0,0]=4 3812 B12R0.101 CSCC(=O)NCC(=O)NCCF 1626a_100000725713_100000184570 [0,1,0,0,0,1|2,0,0]=4 3813 B12R0.101 CSCC(=O)NCC(=O)NCCF 240690a_100000725713_100000184570 [0,1,0,0,0,1|2,0,0]=4 3814 B12R0.101 CSCC(=O)NCC(=O)NCCF 527a_100000725713_100000184570 [0,1,0,0,0,1|2,0,0]=4 3815 B12R0.101 O=C(CCO)NCC(=O)NCCF 240690a_100000725713_100011216618 [0,1,0,0,0,1|2,0,0]=4 3816 B12R0.272 C#CCC(=O)CCC(=O)OC(C)C 1458a_100011220946_100000760027 [0,1,0,0,0,1|0,0,2]=4 3817 B12R0.272 C#CCC(=O)COC(=O)OC(C)C 1458a_100011220946_100000003507 [0,1,0,0,0,1|0,0,2]=4 3818 B12R0.272 C=C(C)CC(=O)C=CC(=O)OCC 1458a_100000210415_100000748629 [0,1,0,0,0,1|0,0,2]=4 3819 B12R0.272 C=C(C)CC(=O)CCC(=O)NCC 1458a_100000199579_100000748629 [0,1,0,0,0,1|1,0,1]=4 3820 B12R0.272 C=C(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100000748629 [0,1,0,0,0,1|0,0,1]=3 3821 B12R0.272 C=C(C)CC(=O)CNC(=O)OCC 1458a_100000190774_100000748629 [0,1,0,0,0,1|0,0,1]=3 3822 B12R0.272 C=C(F)CC(=O)CCC(=O)OCC 1458a_100000183558_100009893438 [0,1,0,0,0,1|0,0,2]=4 3823 B12R0.272 C=C(F)CC(=O)CNC(=O)OCC 1458a_100000190774_100009893438 [0,1,0,0,0,1|0,0,2]=4 3824 B12R0.272 C=CCC(=O)CCC(=O)OC(C)C 1458a_100000210193_100000760027 [0,1,0,0,0,1|0,0,2]=4 3825 B12R0.272 C=CCC(=O)COC(=O)OC(C)C 1458a_100000210193_100000003507 [0,1,0,0,0,1|0,0,2]=4 3826 B12R0.272 CC#CC(=O)CCC(=O)OC(C)C 1458a_100000763181_100000760027 [0,1,0,0,0,1|0,0,2]=4 3827 B12R0.272 CC#CC(=O)COC(=O)OC(C)C 1458a_100000763181_100000003507 [0,1,0,0,0,1|0,0,2]=4 3828 B12R0.272 CC(C)CC(=O)NCC(=O)CCF 1458a_100000194594_100011217306 [0,1,0,0,0,1|2,0,0]=4 3829 B12R0.272 CC(C)CC(=O)NCC(=O)CCO 1458a_100000194594_100000211926 [0,1,0,0,0,1|2,0,0]=4 3830 B12R0.272 CC(C)NC(=O)CCC(=O)CCO 1458a_100011216618_100000737564 [0,1,0,0,0,1|2,0,0]=4 3831 B12R0.272 CC(C)NC(=O)CNC(=O)CCO 240690a_100000168517_100011216618 [0,1,0,0,0,1|2,0,0]=4 3832 B12R0.272 CC(C)OC(=O)CCC(=O)CC#N 1458a_100051588842_100000760027 [0,1,0,0,0,1|1,0,1]=4 3833 B12R0.272 CC(C)OC(=O)CCC(=O)CCO 1458a_100011216618_100000760027 [0,1,0,0,0,1|1,0,0]=3 3834 B12R0.272 CC(C)OC(=O)OCC(=O)CC#N 1458a_100051588842_100000003507 [0,1,0,0,0,1|1,0,1]=4 3835 B12R0.272 CC(C)OC(=O)OCC(=O)CCO 1458a_100011216618_100000003507 [0,1,0,0,0,1|1,0,0]=3 3836 B12R0.272 CC=CC(=O)CCC(=O)OC(C)C 1458a_100000210699_100000760027 [0,1,0,0,0,1|0,0,2]=4 3837 B12R0.272 CC=CC(=O)COC(=O)OC(C)C 1458a_100000210699_100000003507 [0,1,0,0,0,1|0,0,2]=4 3838 B12R0.272 CCCC(=O)CCC(=O)NC(C)C 1458a_100000211992_100000737564 [0,1,0,0,0,1|1,0,0]=3 3839 B12R0.272 CCCC(=O)CCC(=O)NN(C)C 1458a_100011219620_100000210303 [0,1,0,0,0,1|2,0,0]=4 3840 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [0,1,0,0,0,1|0,0,0]=2 3841 B12R0.272 CCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210303 [0,1,0,0,0,1|1,0,0]=3 3842 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,1,0,0,0,1|0,0,0]=2 3843 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000211992 [0,1,0,0,0,1|1,0,0]=3 3844 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000211992 [0,1,0,0,0,1|1,0,0]=3 3845 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000211992 [0,1,0,0,0,1|1,0,0]=3 3846 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000211992 [0,1,0,0,0,1|1,0,0]=3 3847 B12R0.272 CCCC(=O)NNC(=O)CC(C)C 22a_100000189770_100000210554 [0,1,0,0,0,1|2,0,0]=4 3848 B12R0.272 CCCC(=O)NNC(=O)CC(C)C 22a_100000189787_100000211992 [0,1,0,0,0,1|2,0,0]=4 3849 B12R0.272 CCCC(=O)NNC(=O)C[C@@H](C)O 22a_100000189770_100011933948 [0,1,0,0,0,1|2,0,0]=4 3850 B12R0.272 CCCC(=O)NNC(=O)NC(C)C 273464a_100138425928_100000189770 [0,1,0,0,0,1|2,0,0]=4 3851 B12R0.272 CCCC(=O)NNC(=O)NC(C)C 512a_100000189770_100138425928 [0,1,0,0,0,1|2,0,0]=4 3852 B12R0.272 CCCC(=O)OCC(=O)C=C(C)C 1458a_100000211388_100000034017 [0,1,0,0,0,1|1,0,1]=4 3853 B12R0.272 CCCC(=O)OCC(=O)C=C(C)Cl 1458a_200042562850_100000034017 [0,1,0,0,0,1|1,0,1]=4 3854 B12R0.272 CCCC(=O)OCC(=O)C=C(C)I 1458a_100025716642_100000034017 [0,1,0,0,0,1|1,0,1]=4 3855 B12R0.272 CCCC(=O)OCC(=O)CC(C)C 1458a_100000210554_100000034017 [0,1,0,0,0,1|1,0,0]=3 3856 B12R0.272 CCCC(=O)OCC(=O)CN(C)C 1458a_100000750896_100000034017 [0,1,0,0,0,1|2,0,0]=4 3857 B12R0.272 CCCC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100000034017 [0,1,0,0,0,1|1,0,0]=3 3858 B12R0.272 CCCC(=O)OCC(=O)C[S+](C)C 1458a_200159257847_100000034017 [0,1,0,0,0,1|2,0,0]=4 3859 B12R0.272 CCCC(C)NCC(=O)OC(C)C 2230a_100000741246_100011215430 [0,1,0,0,0,1|1,0,1]=4 3860 B12R0.272 CCCC(C)OCC(=O)OC(C)C 34a_100000764384_100011215430 [0,1,0,0,0,1|1,0,1]=4 3861 B12R0.272 CCCC(C)OCC(=O)OC(C)C 7a_100000764384_100011215430 [0,1,0,0,0,1|1,0,1]=4 3862 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100000766640_100011215430 [0,1,0,0,0,1|1,0,1]=4 3863 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100011215430_100000766640 [0,1,0,0,0,1|1,0,1]=4 3864 B12R0.272 CCCN(C)CCC(=O)OC(C)C 2230a_100000747261_100000760027 [0,1,0,0,0,1|2,0,0]=4 3865 B12R0.272 CCCN(C)CCC(=O)OC(C)C 269982a_100000747261_100000760027 [0,1,0,0,0,1|2,0,0]=4 3866 B12R0.272 CCCN(C)COC(=O)OC(C)C 269982a_100000747261_100010125566 [0,1,0,0,0,1|2,0,0]=4 3867 B12R0.272 CCNC(=O)CCC(=O)CC(C)C 1458a_100000199579_100000210624 [0,1,0,0,0,1|1,0,0]=3 3868 B12R0.272 CCNC(=O)CCC(=O)CC(C)O 1458a_100000199579_100011218427 [0,1,0,0,0,1|1,0,0]=3 3869 B12R0.272 CCNC(=O)CCC(=O)CC(F)F 1458a_100000199579_100011934356 [0,1,0,0,0,1|2,0,0]=4 3870 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 11a_100138425928_100000199579 [0,1,0,0,0,1|2,0,0]=4 3871 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000199579 [0,1,0,0,0,1|2,0,0]=4 3872 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000199579 [0,1,0,0,0,1|2,0,0]=4 3873 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100015525214_100000194594 [0,1,0,0,0,1|1,0,0]=3 3874 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 11a_100016988866_100000210554 [0,1,0,0,0,1|1,0,0]=3 3875 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 1626a_100016988866_100000210554 [0,1,0,0,0,1|1,0,0]=3 3876 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100015525214_100000194594 [0,1,0,0,0,1|1,0,0]=3 3877 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 240690a_100016988866_100000210554 [0,1,0,0,0,1|1,0,0]=3 3878 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100015525214_100000194594 [0,1,0,0,0,1|1,0,0]=3 3879 B12R0.272 CCNC(=O)CNC(=O)CC(C)C 527a_100016988866_100000210554 [0,1,0,0,0,1|1,0,0]=3 3880 B12R0.272 CCNC(=O)CNC(=O)CN(C)C 11a_100016988866_100000750896 [0,1,0,0,0,1|2,0,0]=4 3881 B12R0.272 CCNC(=O)CNC(=O)CN(C)C 240690a_100016988866_100000750896 [0,1,0,0,0,1|2,0,0]=4 3882 B12R0.272 CCNC(=O)CNC(=O)CN(C)C 527a_100016988866_100000750896 [0,1,0,0,0,1|2,0,0]=4 3883 B12R0.272 CCNC(=O)CNC(=O)C[C@@H](C)O 240690a_100016988866_100011933948 [0,1,0,0,0,1|1,0,0]=3 3884 B12R0.272 CCNC(=O)CNC(=O)C[S+](C)C 11a_100016988866_200159257847 [0,1,0,0,0,1|2,0,0]=4 3885 B12R0.272 CCNC(=O)CNC(=O)C[S+](C)C 1626a_100016988866_200159257847 [0,1,0,0,0,1|2,0,0]=4 3886 B12R0.272 CCNC(=O)CNC(=O)C[S+](C)C 240690a_100016988866_200159257847 [0,1,0,0,0,1|2,0,0]=4 3887 B12R0.272 CCNC(=O)CNC(=O)C[S+](C)C 527a_100016988866_200159257847 [0,1,0,0,0,1|2,0,0]=4 3888 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 2708a_100016988866_100138425928 [0,1,0,0,0,1|2,0,0]=4 3889 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 2708a_100138425928_100016988866 [0,1,0,0,0,1|2,0,0]=4 3890 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 273464a_100138425928_100016988866 [0,1,0,0,0,1|2,0,0]=4 3891 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 512a_100016988866_100138425928 [0,1,0,0,0,1|2,0,0]=4 3892 B12R0.272 CCNC(=O)CNC(=O)NC(C)C 512a_100138425928_100016988866 [0,1,0,0,0,1|2,0,0]=4 3893 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 2708a_100000168517_100015525214 [0,1,0,0,0,1|2,0,0]=4 3894 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 2708a_100015525214_100000168517 [0,1,0,0,0,1|2,0,0]=4 3895 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 273464a_100000168517_100015525214 [0,1,0,0,0,1|2,0,0]=4 3896 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 273464a_100015525214_100000168517 [0,1,0,0,0,1|2,0,0]=4 3897 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 512a_100000168517_100015525214 [0,1,0,0,0,1|2,0,0]=4 3898 B12R0.272 CCNC(=O)NCC(=O)NC(C)C 512a_100015525214_100000168517 [0,1,0,0,0,1|2,0,0]=4 3899 B12R0.272 CCNC(=O)NNC(=O)CC(C)C 273464a_100015525214_100000189787 [0,1,0,0,0,1|2,0,0]=4 3900 B12R0.272 CCOC(=O)C=CC(=O)CC(C)C 1458a_100000210415_100000210624 [0,1,0,0,0,1|0,0,1]=3 3901 B12R0.272 CCOC(=O)C=CC(=O)CC(C)O 1458a_100000210415_100011218427 [0,1,0,0,0,1|0,0,1]=3 3902 B12R0.272 CCOC(=O)C=CC(=O)CC(F)F 1458a_100000210415_100011934356 [0,1,0,0,0,1|1,0,1]=4 3903 B12R0.272 CCOC(=O)C=CC(=O)NC(C)C 1626a_100138425928_100000210415 [0,1,0,0,0,1|1,0,1]=4 3904 B12R0.272 CCOC(=O)C=CC(=O)NC(C)C 240690a_100138425928_100000210415 [0,1,0,0,0,1|1,0,1]=4 3905 B12R0.272 CCOC(=O)CCC(=O)CC(=O)N 1458a_100000183558_100000187820 [0,1,0,0,0,1|1,0,1]=4 3906 B12R0.272 CCOC(=O)CCC(=O)CC(=O)[O-] 1458a_100000183558_100020667443 [0,1,0,0,0,1|1,0,1]=4 3907 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [0,1,0,0,0,1|0,0,0]=2 3908 B12R0.272 CCOC(=O)CCC(=O)CC(C)O 1458a_100000183558_100011218427 [0,1,0,0,0,1|0,0,0]=2 3909 B12R0.272 CCOC(=O)CCC(=O)CC(F)F 1458a_100000183558_100011934356 [0,1,0,0,0,1|1,0,0]=3 3910 B12R0.272 CCOC(=O)CCC(=O)C[N+](=O)[O-] 1458a_100000183558_100000761209 [0,1,0,0,0,1|2,0,0]=4 3911 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 11a_100138425928_100000183558 [0,1,0,0,0,1|1,0,0]=3 3912 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000183558 [0,1,0,0,0,1|1,0,0]=3 3913 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000183558 [0,1,0,0,0,1|1,0,0]=3 3914 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000745921_100000210760 [0,1,0,0,0,1|2,0,0]=4 3915 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000747067_100011206558 [0,1,0,0,0,1|2,0,0]=4 3916 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000745921_100000210624 [0,1,0,0,0,1|2,0,0]=4 3917 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000747067_100011206558 [0,1,0,0,0,1|2,0,0]=4 3918 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000227577_100011206558 [0,1,0,0,0,1|2,0,0]=4 3919 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000745921_100011218427 [0,1,0,0,0,1|2,0,0]=4 3920 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000227577_100011206558 [0,1,0,0,0,1|2,0,0]=4 3921 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000745921_100011218427 [0,1,0,0,0,1|2,0,0]=4 3922 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 2230a_100000745921_100009817552 [0,1,0,0,0,1|2,0,0]=4 3923 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 269982a_100000745921_100009817552 [0,1,0,0,0,1|2,0,0]=4 3924 B12R0.272 CCOC(=O)CNC(=O)C=C(C)C 188690a_100000741813_100000211388 [0,1,0,0,0,1|0,0,2]=4 3925 B12R0.272 CCOC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100011215850 [0,1,0,0,0,1|0,0,1]=3 3926 B12R0.272 CCOC(=O)CNC(=O)CC(C)C 188690a_100000741813_100000210554 [0,1,0,0,0,1|0,0,0]=2 3927 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 188690a_100000741813_100000750896 [0,1,0,0,0,1|1,0,0]=3 3928 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 2230a_100102631434_100011215850 [0,1,0,0,0,1|1,0,0]=3 3929 B12R0.272 CCOC(=O)CNC(=O)CN(C)C 269982a_100102631434_100011215850 [0,1,0,0,0,1|1,0,0]=3 3930 B12R0.272 CCOC(=O)CNC(=O)C[C@@H](C)O 188690a_100000741813_100011933948 [0,1,0,0,0,1|0,0,0]=2 3931 B12R0.272 CCOC(=O)CNC(=O)C[S+](C)C 188690a_100000741813_200159257847 [0,1,0,0,0,1|1,0,0]=3 3932 B12R0.272 CCOC(=O)CNC(C)CC(C)C 2230a_100000692259_100000188475 [0,1,0,0,0,1|1,0,1]=4 3933 B12R0.272 CCOC(=O)COC(C)CC(C)C 34a_100000211805_100000188475 [0,1,0,0,0,1|1,0,1]=4 3934 B12R0.272 CCOC(=O)COC(C)CC(C)C 7a_100000211805_100000188475 [0,1,0,0,0,1|1,0,1]=4 3935 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000188475_100000731052 [0,1,0,0,0,1|1,0,1]=4 3936 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000731052_100000188475 [0,1,0,0,0,1|1,0,1]=4 3937 B12R0.272 CCOC(=O)NCC(=O)CC(=O)N 1458a_100000190774_100000187820 [0,1,0,0,0,1|1,0,1]=4 3938 B12R0.272 CCOC(=O)NCC(=O)CC(=O)[O-] 1458a_100000190774_100020667443 [0,1,0,0,0,1|1,0,1]=4 3939 B12R0.272 CCOC(=O)NCC(=O)CC(C)C 1458a_100000190774_100000210624 [0,1,0,0,0,1|0,0,0]=2 3940 B12R0.272 CCOC(=O)NCC(=O)CC(C)O 1458a_100000190774_100011218427 [0,1,0,0,0,1|0,0,0]=2 3941 B12R0.272 CCOC(=O)NCC(=O)CC(F)F 1458a_100000190774_100011934356 [0,1,0,0,0,1|1,0,0]=3 3942 B12R0.272 CCOC(=O)NCC(=O)C[N+](=O)[O-] 1458a_100000190774_100000761209 [0,1,0,0,0,1|2,0,0]=4 3943 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 11a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 3944 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 3945 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 3946 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 527a_100138425928_100000190774 [0,1,0,0,0,1|1,0,0]=3 3947 B12R0.272 CNNC(=O)CNC(=O)CC(C)C 22a_100016993582_100000194594 [0,1,0,0,0,1|2,0,0]=4 3948 B12R0.272 COCC(=O)CCC(=O)NC(C)C 1458a_100000210968_100000737564 [0,1,0,0,0,1|2,0,0]=4 3949 B12R0.272 COCC(=O)CCC(=O)OC(C)C 1458a_100000210968_100000760027 [0,1,0,0,0,1|1,0,0]=3 3950 B12R0.272 COCC(=O)COC(=O)OC(C)C 1458a_100000210968_100000003507 [0,1,0,0,0,1|1,0,0]=3 3951 B12R0.272 COCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000210968 [0,1,0,0,0,1|2,0,0]=4 3952 B12R0.272 COCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000210968 [0,1,0,0,0,1|2,0,0]=4 3953 B12R0.272 COCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000210968 [0,1,0,0,0,1|2,0,0]=4 3954 B12R0.272 COCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000210968 [0,1,0,0,0,1|2,0,0]=4 3955 B12R0.272 CSCC(=O)CCC(=O)NC(C)C 1458a_100000184570_100000737564 [0,1,0,0,0,1|2,0,0]=4 3956 B12R0.272 CSCC(=O)CCC(=O)OC(C)C 1458a_100000184570_100000760027 [0,1,0,0,0,1|1,0,0]=3 3957 B12R0.272 CSCC(=O)COC(=O)OC(C)C 1458a_100000184570_100000003507 [0,1,0,0,0,1|1,0,0]=3 3958 B12R0.272 CSCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000184570 [0,1,0,0,0,1|2,0,0]=4 3959 B12R0.272 CSCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000184570 [0,1,0,0,0,1|2,0,0]=4 3960 B12R0.272 CSCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000184570 [0,1,0,0,0,1|2,0,0]=4 3961 B12R0.272 CSCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000184570 [0,1,0,0,0,1|2,0,0]=4 3962 B12R0.445 CCCC(C)(C)OCC(=O)OCC 7a_100000748436_100000188475 [0,1,0,0,0,1|1,0,1]=4 3963 B12R0.445 CCCS(=O)(=O)NCC(=O)NCC 270084a_100016988866_100000211391 [0,1,0,0,0,1|2,0,0]=4 3964 B12R0.445 CCCS(=O)(=O)NCC(=O)NCC 274078a_100016988866_100000211391 [0,1,0,0,0,1|2,0,0]=4 3965 B12R0.445 CCCS(=O)(=O)NCC(=O)NCC 40a_100016988866_100000054278 [0,1,0,0,0,1|2,0,0]=4 3966 B12R0.2 C#CCCC(=O)CC(=O)NC(C)C 1458a_100000692101_100000183996 [0,2,0,0,0,0|1,0,1]=4 3967 B12R0.2 C#CCCC(=O)CC(=O)OC(C)C 1458a_100000692101_100011215430 [0,2,0,0,0,0|0,0,1]=3 3968 B12R0.2 C=C(CC(=O)CC(C)C)OCOC 1458a_100000210554_100000042856 [0,2,0,0,0,0|1,0,0]=3 3969 B12R0.2 C=C(CC(=O)CN(C)C)OCOC 1458a_100000750896_100000042856 [0,2,0,0,0,0|2,0,0]=4 3970 B12R0.2 C=C(CC(=O)C[C@@H](C)O)OCOC 1458a_100011933948_100000042856 [0,2,0,0,0,0|1,0,0]=3 3971 B12R0.2 C=C(CC(=O)C[S+](C)C)OCOC 1458a_200159257847_100000042856 [0,2,0,0,0,0|2,0,0]=4 3972 B12R0.2 C=CCCC(=O)CC(=O)NC(C)C 1458a_100000749702_100000183996 [0,2,0,0,0,0|1,0,1]=4 3973 B12R0.2 C=CCCC(=O)CC(=O)OC(C)C 1458a_100000749702_100011215430 [0,2,0,0,0,0|0,0,1]=3 3974 B12R0.2 C=CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183597 [0,2,0,0,0,0|1,0,1]=4 3975 B12R0.2 C=CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183597 [0,2,0,0,0,0|1,0,1]=4 3976 B12R0.2 C=CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000033060 [0,2,0,0,0,0|0,0,1]=3 3977 B12R0.2 C=CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000033060 [0,2,0,0,0,0|1,0,1]=4 3978 B12R0.2 C=CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000033060 [0,2,0,0,0,0|0,0,1]=3 3979 B12R0.2 C=CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000033060 [0,2,0,0,0,0|1,0,1]=4 3980 B12R0.2 CC(C)CC(=O)CC(=O)NCC#N 1458a_100000210554_100000736037 [0,2,0,0,0,0|1,0,1]=4 3981 B12R0.2 CC(C)NC(=O)CC(=O)CCC#N 1458a_100011934036_100000183996 [0,2,0,0,0,0|1,0,1]=4 3982 B12R0.2 CC(C)OC(=O)CC(=O)C#CCO 1458a_100000049017_100011215430 [0,2,0,0,0,0|0,0,2]=4 3983 B12R0.2 CC(C)OC(=O)CC(=O)CCC#N 1458a_100011934036_100011215430 [0,2,0,0,0,0|0,0,1]=3 3984 B12R0.2 CC(C)OC(=O)CN(C)CCCO 2230a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 3985 B12R0.2 CC(C)OC(=O)CN(C)CCCO 269982a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 3986 B12R0.2 CC=CCC(=O)CC(=O)NC(C)C 1458a_100121576822_100000183996 [0,2,0,0,0,0|1,0,1]=4 3987 B12R0.2 CC=CCC(=O)CC(=O)OC(C)C 1458a_100121576822_100011215430 [0,2,0,0,0,0|0,0,1]=3 3988 B12R0.2 CCC#CC(=O)CC(=O)NC(C)C 1458a_100011827653_100000183996 [0,2,0,0,0,0|1,0,1]=4 3989 B12R0.2 CCC#CC(=O)CC(=O)OC(C)C 1458a_100011827653_100011215430 [0,2,0,0,0,0|0,0,1]=3 3990 B12R0.2 CCC=CC(=O)CC(=O)NC(C)C 1458a_100000212282_100000183996 [0,2,0,0,0,0|1,0,1]=4 3991 B12R0.2 CCC=CC(=O)CC(=O)OC(C)C 1458a_100000212282_100011215430 [0,2,0,0,0,0|0,0,1]=3 3992 B12R0.2 CCCCC(=O)CC(=O)NC(=O)C 1458a_100000210183_100000183797 [0,2,0,0,0,0|1,0,1]=4 3993 B12R0.2 CCCCC(=O)CC(=O)NC(C)C 1458a_100000210183_100000183996 [0,2,0,0,0,0|1,0,0]=3 3994 B12R0.2 CCCCC(=O)CC(=O)OC(C)C 1458a_100000210183_100011215430 [0,2,0,0,0,0|0,0,0]=2 3995 B12R0.2 CCCCN(C)CC(=O)OC(C)C 2230a_100000207549_100011215430 [0,2,0,0,0,0|2,0,0]=4 3996 B12R0.2 CCCCN(C)CC(=O)OC(C)C 269982a_100000207549_100011215430 [0,2,0,0,0,0|2,0,0]=4 3997 B12R0.2 CCCNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183358 [0,2,0,0,0,0|1,0,1]=4 3998 B12R0.2 CCCNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000183358 [0,2,0,0,0,0|1,0,1]=4 3999 B12R0.2 CCCNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000183358 [0,2,0,0,0,0|1,0,1]=4 4000 B12R0.2 CCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183358 [0,2,0,0,0,0|1,0,0]=3 4001 B12R0.2 CCCNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183358 [0,2,0,0,0,0|2,0,0]=4 4002 B12R0.2 CCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183358 [0,2,0,0,0,0|1,0,0]=3 4003 B12R0.2 CCCNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183358 [0,2,0,0,0,0|2,0,0]=4 4004 B12R0.2 CCCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_200011215008 [0,2,0,0,0,0|0,0,2]=4 4005 B12R0.2 CCCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_200011215008 [0,2,0,0,0,0|0,0,2]=4 4006 B12R0.2 CCCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_200011215008 [0,2,0,0,0,0|0,0,2]=4 4007 B12R0.2 CCCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_200011215008 [0,2,0,0,0,0|1,0,1]=4 4008 B12R0.2 CCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200011215008 [0,2,0,0,0,0|0,0,0]=2 4009 B12R0.2 CCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_200011215008 [0,2,0,0,0,0|1,0,0]=3 4010 B12R0.2 CCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200011215008 [0,2,0,0,0,0|0,0,0]=2 4011 B12R0.2 CCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_200011215008 [0,2,0,0,0,0|1,0,0]=3 4012 B12R0.2 CCCOC(=O)CN(C)CC(C)C 2230a_100000747067_200011215008 [0,2,0,0,0,0|2,0,0]=4 4013 B12R0.2 CCCOC(=O)CN(C)CC(C)C 269982a_100000747067_200011215008 [0,2,0,0,0,0|2,0,0]=4 4014 B12R0.2 CCCOC(=O)CN(C)CC(C)O 2230a_100000227577_200011215008 [0,2,0,0,0,0|2,0,0]=4 4015 B12R0.2 CCCOC(=O)CN(C)CC(C)O 269982a_100000227577_200011215008 [0,2,0,0,0,0|2,0,0]=4 4016 B12R0.2 CCOCC(=O)CC(=O)NC(=O)C 1458a_100000211967_100000183797 [0,2,0,0,0,0|1,0,1]=4 4017 B12R0.2 CCOCC(=O)CC(=O)NC(C)C 1458a_100000211967_100000183996 [0,2,0,0,0,0|1,0,0]=3 4018 B12R0.2 CCOCC(=O)CC(=O)OC(C)C 1458a_100000211967_100011215430 [0,2,0,0,0,0|0,0,0]=2 4019 B12R0.2 CCSCC(=O)CC(=O)NC(=O)C 1458a_100000230394_100000183797 [0,2,0,0,0,0|1,0,1]=4 4020 B12R0.2 CCSCC(=O)CC(=O)NC(C)C 1458a_100000230394_100000183996 [0,2,0,0,0,0|1,0,0]=3 4021 B12R0.2 CCSCC(=O)CC(=O)OC(C)C 1458a_100000230394_100011215430 [0,2,0,0,0,0|0,0,0]=2 4022 B12R0.2 COC=CC(=O)CC(=O)OC(C)C 1458a_100016268678_100011215430 [0,2,0,0,0,0|0,0,2]=4 4023 B12R0.2 COCCC(=O)CC(=O)NC(=O)C 1458a_100000749529_100000183797 [0,2,0,0,0,0|1,0,1]=4 4024 B12R0.2 COCCC(=O)CC(=O)NC(C)C 1458a_100000749529_100000183996 [0,2,0,0,0,0|1,0,0]=3 4025 B12R0.2 COCCC(=O)CC(=O)OC(C)C 1458a_100000749529_100011215430 [0,2,0,0,0,0|0,0,0]=2 4026 B12R0.2 COCCN(C)CC(=O)OC(C)C 2230a_100000743101_100011215430 [0,2,0,0,0,0|2,0,0]=4 4027 B12R0.2 COCCN(C)CC(=O)OC(C)C 269982a_100000743101_100011215430 [0,2,0,0,0,0|2,0,0]=4 4028 B12R0.2 CSCCC(=O)CC(=O)NC(=O)C 1458a_100000174002_100000183797 [0,2,0,0,0,0|1,0,1]=4 4029 B12R0.2 CSCCC(=O)CC(=O)NC(C)C 1458a_100000174002_100000183996 [0,2,0,0,0,0|1,0,0]=3 4030 B12R0.2 CSCCC(=O)CC(=O)OC(C)C 1458a_100000174002_100011215430 [0,2,0,0,0,0|0,0,0]=2 4031 B12R0.2 CSCCN(C)CC(=O)OC(C)C 2230a_100000686725_100011215430 [0,2,0,0,0,0|2,0,0]=4 4032 B12R0.2 CSCCN(C)CC(=O)OC(C)C 269982a_100000686725_100011215430 [0,2,0,0,0,0|2,0,0]=4 4033 B12R0.2 C[C@@H](O)CC(=O)CC(=O)NCC#N 1458a_100011933948_100000736037 [0,2,0,0,0,0|1,0,1]=4 4034 B12R0.3 CC(=CC(=O)CC(=O)OC(C)C)C 1458a_100000211388_100011215430 [0,2,0,0,0,0|0,0,2]=4 4035 B12R0.3 CC(=CC(=O)CC(=O)OC(C)C)Cl 1458a_200042562850_100011215430 [0,2,0,0,0,0|0,0,2]=4 4036 B12R0.3 CC(=CC(=O)CC(=O)OC(C)C)I 1458a_100025716642_100011215430 [0,2,0,0,0,0|0,0,2]=4 4037 B12R0.3 CC(=O)NC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183797 [0,2,0,0,0,0|1,0,1]=4 4038 B12R0.3 CC(=O)NC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183797 [0,2,0,0,0,0|1,0,1]=4 4039 B12R0.3 CC(C)CC(=O)CC(=O)NC(C)C 1458a_100000210554_100000183996 [0,2,0,0,0,0|1,0,0]=3 4040 B12R0.3 CC(C)CC(=O)CC(=O)OC(C)C 1458a_100000210554_100011215430 [0,2,0,0,0,0|0,0,0]=2 4041 B12R0.3 CC(C)CN(C)CC(=O)OC(C)C 2230a_100000747067_100011215430 [0,2,0,0,0,0|2,0,0]=4 4042 B12R0.3 CC(C)CN(C)CC(=O)OC(C)C 269982a_100000747067_100011215430 [0,2,0,0,0,0|2,0,0]=4 4043 B12R0.3 CC(C)NC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183996 [0,2,0,0,0,0|2,0,0]=4 4044 B12R0.3 CC(C)NC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183996 [0,2,0,0,0,0|1,0,0]=3 4045 B12R0.3 CC(C)NC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183996 [0,2,0,0,0,0|2,0,0]=4 4046 B12R0.3 CC(C)OC(=O)CC(=O)CC(=O)N 1458a_100134613110_100011215430 [0,2,0,0,0,0|1,0,1]=4 4047 B12R0.3 CC(C)OC(=O)CC(=O)CN(C)C 1458a_100000750896_100011215430 [0,2,0,0,0,0|1,0,0]=3 4048 B12R0.3 CC(C)OC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011215430 [0,2,0,0,0,0|0,0,0]=2 4049 B12R0.3 CC(C)OC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100011215430 [0,2,0,0,0,0|1,0,0]=3 4050 B12R0.3 CC(O)CN(C)CC(=O)OC(C)C 2230a_100000227577_100011215430 [0,2,0,0,0,0|2,0,0]=4 4051 B12R0.3 CC(O)CN(C)CC(=O)OC(C)C 269982a_100000227577_100011215430 [0,2,0,0,0,0|2,0,0]=4 4052 B12R0.18 CCOC(=O)CN(CC)CC(C)C 2230a_100000220607_100000210760 [0,2,0,0,0,0|2,0,0]=4 4053 B12R0.18 CCOC(=O)CN(CC)CC(C)C 2230a_100000738554_100000188475 [0,2,0,0,0,0|2,0,0]=4 4054 B12R0.18 CCOC(=O)CN(CC)CC(C)C 269982a_100000220607_100000210624 [0,2,0,0,0,0|2,0,0]=4 4055 B12R0.18 CCOC(=O)CN(CC)CC(C)C 269982a_100000738554_100000188475 [0,2,0,0,0,0|2,0,0]=4 4056 B12R0.18 CCOC(=O)CN(CC)CC(C)C 270004a_100000220607_100000210432 [0,2,0,0,0,0|2,0,0]=4 4057 B12R0.18 CCOC(=O)CN(CC)CC(C)O 2230a_100000220607_100011218427 [0,2,0,0,0,0|2,0,0]=4 4058 B12R0.18 CCOC(=O)CN(CC)CC(C)O 269982a_100000220607_100011218427 [0,2,0,0,0,0|2,0,0]=4 4059 B12R0.18 CCOC(=O)CN(CC)C[C@@H](C)O 2230a_100000220607_100009817552 [0,2,0,0,0,0|2,0,0]=4 4060 B12R0.18 CCOC(=O)CN(CC)C[C@@H](C)O 269982a_100000220607_100009817552 [0,2,0,0,0,0|2,0,0]=4 4061 B12R0.18 CCOC(=O)CN(CC)C[C@H](C)O 2230a_100000729506_100000188475 [0,2,0,0,0,0|2,0,0]=4 4062 B12R0.18 CCOC(=O)CN(CC)C[C@H](C)O 269982a_100000729506_100000188475 [0,2,0,0,0,0|2,0,0]=4 4063 B12R0.20 C=C(CCC)CC(=O)N(C)C(C)C 11a_200000211004_100000138376 [0,2,0,0,0,0|2,0,0]=4 4064 B12R0.20 C=C(CCC)CC(=O)N(C)C(C)C 240690a_200000211004_100000138376 [0,2,0,0,0,0|2,0,0]=4 4065 B12R0.20 C=C(CCC)CC(=O)N(C)C(C)C 527a_200000211004_100000138376 [0,2,0,0,0,0|2,0,0]=4 4066 B12R0.20 C=COC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000036128 [0,2,0,0,0,0|0,0,2]=4 4067 B12R0.20 C=COC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000036128 [0,2,0,0,0,0|0,0,2]=4 4068 B12R0.20 CC(C)C(C)C(=O)CC(=O)NCO 1458a_100000755409_100000185155 [0,2,0,0,0,0|2,0,0]=4 4069 B12R0.20 CC(C)N(C)C(=O)CC(=O)CCO 1458a_100011216618_100000230190 [0,2,0,0,0,0|2,0,0]=4 4070 B12R0.20 CC(C)[C@@H](O)C(=O)CC(=O)NCO 1458a_100000691806_100000185155 [0,2,0,0,0,0|2,0,0]=4 4071 B12R0.20 CCCC(=O)CC(=O)C(=O)N(C)C 1458a_100011218876_100000747444 [0,2,0,0,0,0|2,0,0]=4 4072 B12R0.20 CCCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747444 [0,2,0,0,0,0|1,0,0]=3 4073 B12R0.20 CCCC(=O)CC(=O)N(C)C(C)C 1458a_100000211992_100000230190 [0,2,0,0,0,0|1,0,0]=3 4074 B12R0.20 CCCC(=O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000747444 [0,2,0,0,0,0|2,0,0]=4 4075 B12R0.20 CCCC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000747444 [0,2,0,0,0,0|1,0,0]=3 4076 B12R0.20 CCCS(=O)CC(=O)N(C)C(C)C 11a_200000211004_100011387404 [0,2,0,0,0,0|2,0,0]=4 4077 B12R0.20 CCCS(=O)CC(=O)N(C)C(C)C 1626a_200000211004_100011387404 [0,2,0,0,0,0|2,0,0]=4 4078 B12R0.20 CCCS(=O)CC(=O)N(C)C(C)C 240690a_200000211004_100011387404 [0,2,0,0,0,0|2,0,0]=4 4079 B12R0.20 CCCS(=O)CC(=O)N(C)C(C)C 527a_200000211004_100011387404 [0,2,0,0,0,0|2,0,0]=4 4080 B12R0.20 CCNC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000183381 [0,2,0,0,0,0|1,0,0]=3 4081 B12R0.20 CCNC(=O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000183381 [0,2,0,0,0,0|2,0,0]=4 4082 B12R0.20 CCNC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000183381 [0,2,0,0,0,0|1,0,0]=3 4083 B12R0.20 CCOC(=O)CC(=O)C(=O)N(C)C 1458a_100011218876_100000188475 [0,2,0,0,0,0|1,0,1]=4 4084 B12R0.20 CCOC(=O)CC(=O)C(C)C(=O)C 1458a_100000070787_100010090504 [0,2,0,0,0,0|0,0,1]=3 4085 B12R0.20 CCOC(=O)CC(=O)C(C)C(=O)C 1458a_100000243816_100000179758 [0,2,0,0,0,0|0,0,1]=3 4086 B12R0.20 CCOC(=O)CC(=O)C(C)C(=O)N 1458a_100000243816_100000702099 [0,2,0,0,0,0|1,0,1]=4 4087 B12R0.20 CCOC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000188475 [0,2,0,0,0,0|0,0,0]=2 4088 B12R0.20 CCOC(=O)CC(=O)C(C)N(C)C 269982a_100102631434_100010090504 [0,2,0,0,0,0|1,0,0]=3 4089 B12R0.20 CCOC(=O)CC(=O)C(F)C(=O)N 1458a_100000243816_100009813875 [0,2,0,0,0,0|1,0,1]=4 4090 B12R0.20 CCOC(=O)CC(=O)C(F)C(=O)[O-] 1458a_100000243816_100020610796 [0,2,0,0,0,0|1,0,1]=4 4091 B12R0.20 CCOC(=O)CC(=O)N(C)C(C)C 240690a_200000211004_100000243816 [0,2,0,0,0,0|1,0,0]=3 4092 B12R0.20 CCOC(=O)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000188475 [0,2,0,0,0,0|1,0,0]=3 4093 B12R0.20 CCOC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000188475 [0,2,0,0,0,0|0,0,0]=2 4094 B12R0.20 CCOC(=O)CN(C)C(C)C(C)C 2230a_100000228512_100000188475 [0,2,0,0,0,0|2,0,0]=4 4095 B12R0.20 CCOC(=O)CN(C)C(C)C(C)C 269982a_100000228512_100000188475 [0,2,0,0,0,0|2,0,0]=4 4096 B12R0.20 COCC(=O)CC(=O)N(C)C(C)C 1458a_100000210968_100000230190 [0,2,0,0,0,0|2,0,0]=4 4097 B12R0.20 CSCC(=O)CC(=O)N(C)C(C)C 1458a_100000184570_100000230190 [0,2,0,0,0,0|2,0,0]=4 4098 B12R0.68 C#CC(C)NC(=O)CC(=C)CCC 11a_100000707721_100000138376 [0,2,0,0,0,0|2,0,0]=4 4099 B12R0.68 C#CC(C)NC(=O)CC(=C)CCC 240690a_100000707721_100000138376 [0,2,0,0,0,0|2,0,0]=4 4100 B12R0.68 C#CC(C)NC(=O)CC(=C)CCC 527a_100000707721_100000138376 [0,2,0,0,0,0|2,0,0]=4 4101 B12R0.68 C#CC(C)NC(=O)CC(=O)OCC 240690a_100000707721_100000243816 [0,2,0,0,0,0|1,0,0]=3 4102 B12R0.68 C#CC(C)NC(=O)CS(=O)CCC 11a_100000707721_100011387404 [0,2,0,0,0,0|2,0,0]=4 4103 B12R0.68 C#CC(C)NC(=O)CS(=O)CCC 1626a_100000707721_100011387404 [0,2,0,0,0,0|2,0,0]=4 4104 B12R0.68 C#CC(C)NC(=O)CS(=O)CCC 240690a_100000707721_100011387404 [0,2,0,0,0,0|2,0,0]=4 4105 B12R0.68 C#CC(C)NC(=O)CS(=O)CCC 527a_100000707721_100011387404 [0,2,0,0,0,0|2,0,0]=4 4106 B12R0.68 C=C(C#N)CC(=O)CC(=O)OCC 1458a_100000243816_100000694840 [0,2,0,0,0,0|0,0,2]=4 4107 B12R0.68 C=C(CCC)CC(=O)CC(=O)CC 1458a_100000138376_100000747405 [0,2,0,0,0,0|2,0,0]=4 4108 B12R0.68 C=C(CCC)CC(=O)CC(C)CC 1458a_100000138376_100000748023 [0,2,0,0,0,0|2,0,0]=4 4109 B12R0.68 C=C(CCC)CC(=O)CC(O)CC 1458a_100000138376_100011218378 [0,2,0,0,0,0|2,0,0]=4 4110 B12R0.68 C=C(CCC)CC(=O)C[C@@H](C)CC 1458a_100000138376_100009816398 [0,2,0,0,0,0|2,0,0]=4 4111 B12R0.68 C=C(CCC)CC(=O)C[C@@H](C)CO 1458a_100000138376_100000059175 [0,2,0,0,0,0|2,0,0]=4 4112 B12R0.68 C=C(CCC)CC(=O)NC(C)C#N 11a_100000737613_100000138376 [0,2,0,0,0,0|2,0,0]=4 4113 B12R0.68 C=C(CCC)CC(=O)NC(C)C#N 527a_100000737613_100000138376 [0,2,0,0,0,0|2,0,0]=4 4114 B12R0.68 C=C(CCC)CC(=O)NC(C)CC 11a_100000209981_100000138376 [0,2,0,0,0,0|2,0,0]=4 4115 B12R0.68 C=C(CCC)CC(=O)NC(C)CC 240690a_100000209981_100000138376 [0,2,0,0,0,0|2,0,0]=4 4116 B12R0.68 C=C(CCC)CC(=O)NC(C)CC 527a_100000209981_100000138376 [0,2,0,0,0,0|2,0,0]=4 4117 B12R0.68 C=C(CCC)CC(=O)N[C@H](C)CF 11a_100102880703_100000138376 [0,2,0,0,0,0|2,0,0]=4 4118 B12R0.68 C=C(CCC)CC(=O)N[C@H](C)CF 240690a_100102880703_100000138376 [0,2,0,0,0,0|2,0,0]=4 4119 B12R0.68 C=C(CCC)CC(=O)N[C@H](C)CF 527a_100102880703_100000138376 [0,2,0,0,0,0|2,0,0]=4 4120 B12R0.68 C=C(CCC)CC(=O)N[C@H](C)CO 240690a_100000737577_100000138376 [0,2,0,0,0,0|2,0,0]=4 4121 B12R0.68 C=C(CCC)CC(=O)N[C@H](C)CO 527a_100000737577_100000138376 [0,2,0,0,0,0|2,0,0]=4 4122 B12R0.68 C=CC(C)CC(=O)CC(=O)CCC 1458a_100011934298_100000747444 [0,2,0,0,0,0|1,0,0]=3 4123 B12R0.68 C=CC(C)CC(=O)CC(=O)NCC 1458a_100011934298_100000183381 [0,2,0,0,0,0|1,0,0]=3 4124 B12R0.68 C=CC(C)CC(=O)CC(=O)NCO 1458a_100011934298_100000185155 [0,2,0,0,0,0|2,0,0]=4 4125 B12R0.68 C=CC(C)CC(=O)CC(=O)OCC 1458a_100011934298_100000188475 [0,2,0,0,0,0|0,0,0]=2 4126 B12R0.68 C=COC(=O)CC(=O)CC(C)C=C 1458a_100011934298_100000036128 [0,2,0,0,0,0|0,0,2]=4 4127 B12R0.68 C=COC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000036128 [0,2,0,0,0,0|0,0,2]=4 4128 B12R0.68 C=COC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000036128 [0,2,0,0,0,0|0,0,2]=4 4129 B12R0.68 C=COC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000036128 [0,2,0,0,0,0|0,0,2]=4 4130 B12R0.68 CC#CC(=O)CC(=O)NC(C)CC 1458a_100000763181_100000182745 [0,2,0,0,0,0|1,0,1]=4 4131 B12R0.68 CC=CC(=O)CC(=O)NC(C)CC 1458a_100000210699_100000182745 [0,2,0,0,0,0|1,0,1]=4 4132 B12R0.68 CCC(C)CC(=O)CC(=O)NCO 1458a_100000708755_100000185155 [0,2,0,0,0,0|2,0,0]=4 4133 B12R0.68 CCC(C)NC(=O)CC(=O)CCO 1458a_100011216618_100000182745 [0,2,0,0,0,0|2,0,0]=4 4134 B12R0.68 CCC(C)NC(=O)CC(=O)COC 1458a_100000210968_100000182745 [0,2,0,0,0,0|2,0,0]=4 4135 B12R0.68 CCC(C)NC(=O)CC(=O)CSC 1458a_100000184570_100000182745 [0,2,0,0,0,0|2,0,0]=4 4136 B12R0.68 CCC(O)CC(=O)CC(=O)NCO 1458a_100011667805_100000185155 [0,2,0,0,0,0|2,0,0]=4 4137 B12R0.68 CCCC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000747444 [0,2,0,0,0,0|1,0,0]=3 4138 B12R0.68 CCCC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747444 [0,2,0,0,0,0|1,0,1]=4 4139 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [0,2,0,0,0,0|1,0,0]=3 4140 B12R0.68 CCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747444 [0,2,0,0,0,0|1,0,0]=3 4141 B12R0.68 CCCC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000747444 [0,2,0,0,0,0|1,0,0]=3 4142 B12R0.68 CCCC(=O)CC(=O)NC(=O)OC 1458a_100000211992_100000010850 [0,2,0,0,0,0|1,0,1]=4 4143 B12R0.68 CCCC(=O)CC(=O)NC(C)CC 1458a_100000211992_100000182745 [0,2,0,0,0,0|1,0,0]=3 4144 B12R0.68 CCCS(=O)CC(=O)CC(=O)CC 1458a_100011387404_100000747405 [0,2,0,0,0,0|2,0,0]=4 4145 B12R0.68 CCCS(=O)CC(=O)CC(C)CC 1458a_100011387404_100000748023 [0,2,0,0,0,0|2,0,0]=4 4146 B12R0.68 CCCS(=O)CC(=O)CC(O)CC 1458a_100011387404_100011218378 [0,2,0,0,0,0|2,0,0]=4 4147 B12R0.68 CCCS(=O)CC(=O)C[C@@H](C)CC 1458a_100011387404_100009816398 [0,2,0,0,0,0|2,0,0]=4 4148 B12R0.68 CCCS(=O)CC(=O)C[C@@H](C)CO 1458a_100011387404_100000059175 [0,2,0,0,0,0|2,0,0]=4 4149 B12R0.68 CCCS(=O)CC(=O)NC(C)C#N 11a_100000737613_100011387404 [0,2,0,0,0,0|2,0,0]=4 4150 B12R0.68 CCCS(=O)CC(=O)NC(C)C#N 1626a_100000737613_100011387404 [0,2,0,0,0,0|2,0,0]=4 4151 B12R0.68 CCCS(=O)CC(=O)NC(C)C#N 527a_100000737613_100011387404 [0,2,0,0,0,0|2,0,0]=4 4152 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 11a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 4153 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 1626a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 4154 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 240690a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 4155 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 527a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 4156 B12R0.68 CCCS(=O)CC(=O)N[C@H](C)CF 11a_100102880703_100011387404 [0,2,0,0,0,0|2,0,0]=4 4157 B12R0.68 CCCS(=O)CC(=O)N[C@H](C)CF 1626a_100102880703_100011387404 [0,2,0,0,0,0|2,0,0]=4 4158 B12R0.68 CCCS(=O)CC(=O)N[C@H](C)CF 240690a_100102880703_100011387404 [0,2,0,0,0,0|2,0,0]=4 4159 B12R0.68 CCCS(=O)CC(=O)N[C@H](C)CF 527a_100102880703_100011387404 [0,2,0,0,0,0|2,0,0]=4 4160 B12R0.68 CCCS(=O)CC(=O)N[C@H](C)CO 240690a_100000737577_100011387404 [0,2,0,0,0,0|2,0,0]=4 4161 B12R0.68 CCCS(=O)CC(=O)N[C@H](C)CO 527a_100000737577_100011387404 [0,2,0,0,0,0|2,0,0]=4 4162 B12R0.68 CCN(C)CC(=O)CC(=O)NCO 1458a_100116209913_100000185155 [0,2,0,0,0,0|2,0,0]=4 4163 B12R0.68 CCNC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000183381 [0,2,0,0,0,0|1,0,1]=4 4164 B12R0.68 CCNC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000183381 [0,2,0,0,0,0|1,0,1]=4 4165 B12R0.68 CCNC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000183381 [0,2,0,0,0,0|1,0,0]=3 4166 B12R0.68 CCNC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000183381 [0,2,0,0,0,0|1,0,0]=3 4167 B12R0.68 CCNC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000183381 [0,2,0,0,0,0|1,0,0]=3 4168 B12R0.68 CCNC(=O)NC(=O)CC(=O)CC 1458a_100000210414_100000183762 [0,2,0,0,0,0|2,0,0]=4 4169 B12R0.68 CCNC(=O)NC(=O)CN(C)CC 2230a_100000225621_100000183762 [0,2,0,0,0,0|2,0,0]=4 4170 B12R0.68 CCNC(=O)NC(=O)CN(C)CC 269982a_100000225621_100000183762 [0,2,0,0,0,0|2,0,0]=4 4171 B12R0.68 CCOC(=O)C=C(C)CN(C)CC 2230a_100000225621_100135422193 [0,2,0,0,0,0|1,0,1]=4 4172 B12R0.68 CCOC(=O)C=C(C)CN(C)CC 269982a_100000225621_100135422193 [0,2,0,0,0,0|1,0,1]=4 4173 B12R0.68 CCOC(=O)CC(=O)C=C(C)CC 1458a_100020758463_100000188475 [0,2,0,0,0,0|0,0,1]=3 4174 B12R0.68 CCOC(=O)CC(=O)CC(=O)CC 1458a_100000243816_100000747405 [0,2,0,0,0,0|0,0,0]=2 4175 B12R0.68 CCOC(=O)CC(=O)CC(=O)NC 1458a_100000243816_100000183359 [0,2,0,0,0,0|0,0,1]=3 4176 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000188475 [0,2,0,0,0,0|0,0,1]=3 4177 B12R0.68 CCOC(=O)CC(=O)CC(=O)OC 1458a_100000243816_100000747449 [0,2,0,0,0,0|0,0,1]=3 4178 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000243816_100000748023 [0,2,0,0,0,0|0,0,0]=2 4179 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000188475 [0,2,0,0,0,0|0,0,0]=2 4180 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100000243816_100011218378 [0,2,0,0,0,0|0,0,0]=2 4181 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000188475 [0,2,0,0,0,0|0,0,0]=2 4182 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000188475 [0,2,0,0,0,0|0,0,0]=2 4183 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 269982a_100000225621_100000210311 [0,2,0,0,0,0|0,0,0]=2 4184 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CC 1458a_100000243816_100009816398 [0,2,0,0,0,0|0,0,0]=2 4185 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CO 1458a_100000243816_100000059175 [0,2,0,0,0,0|0,0,0]=2 4186 B12R0.68 CCOC(=O)CC(=O)NC(C)CC 240690a_100000209981_100000243816 [0,2,0,0,0,0|0,0,0]=2 4187 B12R0.68 CCOC(=O)CC(=O)N[C@H](C)CF 240690a_100102880703_100000243816 [0,2,0,0,0,0|1,0,0]=3 4188 B12R0.68 CCOC(=O)CC(=O)N[C@H](C)CO 240690a_100000737577_100000243816 [0,2,0,0,0,0|1,0,0]=3 4189 B12R0.68 CCOC(=O)CC(C)NC(C)CC 2230a_100000209981_100009817359 [0,2,0,0,0,0|1,0,1]=4 4190 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [0,2,0,0,0,0|1,0,1]=4 4191 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100000758301_100009817359 [0,2,0,0,0,0|1,0,1]=4 4192 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100009817359_100000758301 [0,2,0,0,0,0|1,0,1]=4 4193 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000220588_100000748023 [0,2,0,0,0,0|2,0,0]=4 4194 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000753921_100000188475 [0,2,0,0,0,0|2,0,0]=4 4195 B12R0.68 CCOC(=O)CN(C)CC(C)CC 269982a_100000753921_100000188475 [0,2,0,0,0,0|2,0,0]=4 4196 B12R0.68 CCOC(=O)CN(C)CC(C)CC 270004a_100000220588_100000243153 [0,2,0,0,0,0|2,0,0]=4 4197 B12R0.68 CCOC(=O)CN(C)CC(O)CC 2230a_100000220588_100011218378 [0,2,0,0,0,0|2,0,0]=4 4198 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100000220588_100011219619 [0,2,0,0,0,0|2,0,0]=4 4199 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100011216503_100000188475 [0,2,0,0,0,0|2,0,0]=4 4200 B12R0.68 CCOC(=O)CN(C)CC(O)CO 269982a_100011216503_100000188475 [0,2,0,0,0,0|2,0,0]=4 4201 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CC 2230a_100000220588_100009816398 [0,2,0,0,0,0|2,0,0]=4 4202 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CO 2230a_100000220588_100000059175 [0,2,0,0,0,0|2,0,0]=4 4203 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CF 2230a_100000220588_100015614560 [0,2,0,0,0,0|2,0,0]=4 4204 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CO 2230a_100000220588_100009815848 [0,2,0,0,0,0|2,0,0]=4 4205 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [0,2,0,0,0,0|1,0,1]=4 4206 B12R0.68 CCOC(=O)C[C@H](O)CN(C)CC 269982a_100000225621_100000688340 [0,2,0,0,0,0|0,0,2]=4 4207 B12R0.68 CCOC(=O)NC(=O)CC(=O)CC 1458a_100000210414_100000010344 [0,2,0,0,0,0|1,0,0]=3 4208 B12R0.68 CCOC(=O)NC(=O)CC(=O)CO 1458a_100000210174_100000010344 [0,2,0,0,0,0|1,0,1]=4 4209 B12R0.68 CCOC(=O)NC(=O)CN(C)CC 269982a_100000225621_100000010344 [0,2,0,0,0,0|1,0,0]=3 4210 B12R0.78 C#CCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000184674 [0,2,0,0,0,0|0,0,2]=4 4211 B12R0.78 C#CCC(=O)CC(=O)OC(C)(C)C 1458a_100011220946_100000183872 [0,2,0,0,0,0|0,0,2]=4 4212 B12R0.78 C=C(CCC)CC(=O)NC(C)(C)C 11a_100000715429_100000138376 [0,2,0,0,0,0|2,0,0]=4 4213 B12R0.78 C=C(CCC)CC(=O)NC(C)(C)C 240690a_100000715429_100000138376 [0,2,0,0,0,0|2,0,0]=4 4214 B12R0.78 C=C(CCC)CC(=O)NC(C)(C)C 527a_100000715429_100000138376 [0,2,0,0,0,0|2,0,0]=4 4215 B12R0.78 C=CCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000210623 [0,2,0,0,0,0|0,0,2]=4 4216 B12R0.78 C=CCC(=O)CC(=O)OC(C)(C)C 1458a_100000210193_100000183872 [0,2,0,0,0,0|0,0,2]=4 4217 B12R0.78 C=COC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000036128 [0,2,0,0,0,0|0,0,2]=4 4218 B12R0.78 C=COC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000036128 [0,2,0,0,0,0|0,0,2]=4 4219 B12R0.78 CC#CC(=O)CC(=O)OC(C)(C)C 1458a_100000763181_100000183872 [0,2,0,0,0,0|0,0,2]=4 4220 B12R0.78 CC(C)(C)CC(=O)CC(=O)NCO 1458a_100000211214_100000185155 [0,2,0,0,0,0|2,0,0]=4 4221 B12R0.78 CC(C)(C)NC(=O)CC(=O)CCO 1458a_100011216618_100000182746 [0,2,0,0,0,0|2,0,0]=4 4222 B12R0.78 CC(C)(C)OC(=O)CC(=O)CC#N 1458a_100000033093_100011214920 [0,2,0,0,0,0|1,0,1]=4 4223 B12R0.78 CC(C)(C)OC(=O)CC(=O)CC#N 1458a_100051588842_100000183872 [0,2,0,0,0,0|1,0,1]=4 4224 B12R0.78 CC(C)(C)OC(=O)CC(=O)CCF 1458a_100000033093_100011217306 [0,2,0,0,0,0|1,0,0]=3 4225 B12R0.78 CC(C)(C)OC(=O)CC(=O)CCO 1458a_100000033093_100000211926 [0,2,0,0,0,0|1,0,0]=3 4226 B12R0.78 CC(C)(C)OC(=O)CC(=O)CCO 1458a_100011216618_100000183872 [0,2,0,0,0,0|1,0,0]=3 4227 B12R0.78 CC(C)(C)OC(=O)CC(=O)CS[13CH3] 62a_100000074303_200025704644 [0,2,0,0,0,0|1,0,0]=3 4228 B12R0.78 CC(C)(C)OC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000074303 [0,2,0,0,0,0|1,0,0]=3 4229 B12R0.78 CC(C)(C)OC(=O)NC(=O)CS[13CH3] 62a_200025704644_200009896092 [0,2,0,0,0,0|2,0,0]=4 4230 B12R0.78 CC(C)(O)CC(=O)CC(=O)NCO 1458a_100000693243_100000185155 [0,2,0,0,0,0|2,0,0]=4 4231 B12R0.78 CC=CC(=O)CC(=O)OC(C)(C)C 1458a_100000210699_100000183872 [0,2,0,0,0,0|0,0,2]=4 4232 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000747444 [0,2,0,0,0,0|1,0,0]=3 4233 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000747444 [0,2,0,0,0,0|1,0,0]=3 4234 B12R0.78 CCCC(=O)CC(=O)CC(F)(F)F 1458a_100000245130_100000747444 [0,2,0,0,0,0|2,0,0]=4 4235 B12R0.78 CCCC(=O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000747444 [0,2,0,0,0,0|2,0,0]=4 4236 B12R0.78 CCCC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000747444 [0,2,0,0,0,0|2,0,0]=4 4237 B12R0.78 CCCC(=O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000747444 [0,2,0,0,0,0|1,1,0]=4 4238 B12R0.78 CCCC(=O)CC(=O)NC(C)(C)C 1458a_100000211992_100000182746 [0,2,0,0,0,0|1,0,0]=3 4239 B12R0.78 CCCC(=O)CC(=O)NS(=O)(=O)C 1458a_100000211992_100009907230 [0,2,0,0,0,0|2,0,0]=4 4240 B12R0.78 CCCC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_100000210303 [0,2,0,0,0,0|0,0,0]=2 4241 B12R0.78 CCCC(=O)CC(=O)OC(C)(C)C 1458a_100000211992_100000183872 [0,2,0,0,0,0|0,0,0]=2 4242 B12R0.78 CCCC(=O)CC(=O)O[Si](C)(C)C 1458a_100000211992_200009813336 [0,2,0,0,0,0|0,1,0]=3 4243 B12R0.78 CCCN(C)CC(=O)OC(C)(C)C 2230a_100000725589_100000210303 [0,2,0,0,0,0|2,0,0]=4 4244 B12R0.78 CCCN(C)CC(=O)OC(C)(C)C 2230a_100000747261_100000183872 [0,2,0,0,0,0|2,0,0]=4 4245 B12R0.78 CCCS(=O)CC(=O)NC(C)(C)C 11a_100000715429_100011387404 [0,2,0,0,0,0|2,0,0]=4 4246 B12R0.78 CCCS(=O)CC(=O)NC(C)(C)C 1626a_100000715429_100011387404 [0,2,0,0,0,0|2,0,0]=4 4247 B12R0.78 CCCS(=O)CC(=O)NC(C)(C)C 240690a_100000715429_100011387404 [0,2,0,0,0,0|2,0,0]=4 4248 B12R0.78 CCCS(=O)CC(=O)NC(C)(C)C 527a_100000715429_100011387404 [0,2,0,0,0,0|2,0,0]=4 4249 B12R0.78 CCNC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000183381 [0,2,0,0,0,0|1,0,0]=3 4250 B12R0.78 CCNC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000183381 [0,2,0,0,0,0|1,0,0]=3 4251 B12R0.78 CCNC(=O)CC(=O)CC(F)(F)F 1458a_100000245130_100000183381 [0,2,0,0,0,0|2,0,0]=4 4252 B12R0.78 CCNC(=O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000183381 [0,2,0,0,0,0|2,0,0]=4 4253 B12R0.78 CCNC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000183381 [0,2,0,0,0,0|2,0,0]=4 4254 B12R0.78 CCNC(=O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000183381 [0,2,0,0,0,0|1,1,0]=4 4255 B12R0.78 CCNC(=O)CC(=O)OC(C)(C)C 11a_100015525214_100000033093 [0,2,0,0,0,0|1,0,0]=3 4256 B12R0.78 CCNC(=O)CC(=O)OC(C)(C)C 269946c_100015525214_100000033093 [0,2,0,0,0,0|1,0,0]=3 4257 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000188475 [0,2,0,0,0,0|0,0,0]=2 4258 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000188475 [0,2,0,0,0,0|0,0,0]=2 4259 B12R0.78 CCOC(=O)CC(=O)CC(F)(F)F 1458a_100000245130_100000188475 [0,2,0,0,0,0|1,0,0]=3 4260 B12R0.78 CCOC(=O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000188475 [0,2,0,0,0,0|1,0,0]=3 4261 B12R0.78 CCOC(=O)CC(=O)CS(=O)(=O)N 1458a_100000243816_100000741382 [0,2,0,0,0,0|2,0,0]=4 4262 B12R0.78 CCOC(=O)CC(=O)CS(=O)(=O)[O-] 1458a_100000243816_100009817235 [0,2,0,0,0,0|2,0,0]=4 4263 B12R0.78 CCOC(=O)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000188475 [0,2,0,0,0,0|1,0,0]=3 4264 B12R0.78 CCOC(=O)CC(=O)C[Si](C)(C)C 1458a_100000243816_100000233785 [0,2,0,0,0,0|0,1,0]=3 4265 B12R0.78 CCOC(=O)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000188475 [0,2,0,0,0,0|0,1,0]=3 4266 B12R0.78 CCOC(=O)CC(=O)NC(C)(C)C 240690a_100000715429_100000243816 [0,2,0,0,0,0|1,0,0]=3 4267 B12R0.78 CCOC(=O)CN(C)CC(C)(C)C 2230a_100000742839_100000188475 [0,2,0,0,0,0|2,0,0]=4 4268 B12R0.78 CCOC(=O)CN(C)CC(C)(C)C 269982a_100000742839_100000188475 [0,2,0,0,0,0|2,0,0]=4 4269 B12R0.78 CCOC(=O)CN(C)CC(C)(C)C 270004a_100000220588_100011204126 [0,2,0,0,0,0|2,0,0]=4 4270 B12R0.78 CCOC(=O)CN(C)CC(C)(C)O 2230a_100000755907_100000188475 [0,2,0,0,0,0|2,0,0]=4 4271 B12R0.78 CCOC(=O)CN(C)CC(C)(C)O 269982a_100000755907_100000188475 [0,2,0,0,0,0|2,0,0]=4 4272 B12R0.78 CNNC(=O)CC(=O)OC(C)(C)C 22a_100016993582_100000033093 [0,2,0,0,0,0|2,0,0]=4 4273 B12R0.78 COCC(=O)CC(=O)NC(C)(C)C 1458a_100000210968_100000182746 [0,2,0,0,0,0|2,0,0]=4 4274 B12R0.78 COCC(=O)CC(=O)OC(C)(C)C 1458a_100000210968_100000183872 [0,2,0,0,0,0|1,0,0]=3 4275 B12R0.78 COCC(=O)CC(=O)O[Si](C)(C)C 1458a_100000210968_200009813336 [0,2,0,0,0,0|1,1,0]=4 4276 B12R0.78 CSCC(=O)CC(=O)NC(C)(C)C 1458a_100000184570_100000182746 [0,2,0,0,0,0|2,0,0]=4 4277 B12R0.78 CSCC(=O)CC(=O)OC(C)(C)C 1458a_100000184570_100000183872 [0,2,0,0,0,0|1,0,0]=3 4278 B12R0.78 CSCC(=O)CC(=O)OC(C)(C)C 62a_100000074303_200000210301 [0,2,0,0,0,0|1,0,0]=3 4279 B12R0.78 CSCC(=O)CC(=O)OC(C)(C)C 62a_200000210301_100000074303 [0,2,0,0,0,0|1,0,0]=3 4280 B12R0.78 CSCC(=O)CC(=O)O[Si](C)(C)C 1458a_100000184570_200009813336 [0,2,0,0,0,0|1,1,0]=4 4281 B12R0.78 CSCC(=O)NC(=O)OC(C)(C)C 62a_200000210301_200009896092 [0,2,0,0,0,0|2,0,0]=4 4282 B12R0.78 C[Si](C)(C)OC(=O)CC(=O)CCO 1458a_100011216618_200009813336 [0,2,0,0,0,0|1,1,0]=4 4283 B12R0.191 C=C(C)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100000748629 [0,2,0,0,0,0|0,0,1]=3 4284 B12R0.191 C=C(F)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100009893438 [0,2,0,0,0,0|0,0,2]=4 4285 B12R0.191 CC(C)NC(=O)C(C)C(=O)CCO 1458a_100011216618_100000195394 [0,2,0,0,0,0|2,0,0]=4 4286 B12R0.191 CCCC(=O)C(C)C(=O)NC(C)C 1458a_100000211992_100000195394 [0,2,0,0,0,0|1,0,0]=3 4287 B12R0.191 CCNC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000230173 [0,2,0,0,0,0|1,0,0]=3 4288 B12R0.191 CCNC(=O)C(C)C(=O)CN(C)C 1458a_100000750896_100000230173 [0,2,0,0,0,0|2,0,0]=4 4289 B12R0.191 CCNC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000230173 [0,2,0,0,0,0|1,0,0]=3 4290 B12R0.191 CCNC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100000230173 [0,2,0,0,0,0|2,0,0]=4 4291 B12R0.191 CCOC(=O)C(C)C(=O)C=C(C)C 1458a_100000211388_100011216346 [0,2,0,0,0,0|0,0,2]=4 4292 B12R0.191 CCOC(=O)C(C)C(=O)C=C(C)Cl 1458a_200042562850_100011216346 [0,2,0,0,0,0|0,0,2]=4 4293 B12R0.191 CCOC(=O)C(C)C(=O)C=C(C)I 1458a_100025716642_100011216346 [0,2,0,0,0,0|0,0,2]=4 4294 B12R0.191 CCOC(=O)C(C)C(=O)CC(=O)N 1458a_100132301724_100000187820 [0,2,0,0,0,0|1,0,1]=4 4295 B12R0.191 CCOC(=O)C(C)C(=O)CC(=O)N 1458a_100134613110_100011216346 [0,2,0,0,0,0|1,0,1]=4 4296 B12R0.191 CCOC(=O)C(C)C(=O)CC(=O)[O-] 1458a_100132301724_100020667443 [0,2,0,0,0,0|1,0,1]=4 4297 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100011216346 [0,2,0,0,0,0|0,0,0]=2 4298 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100132301724_100000210624 [0,2,0,0,0,0|0,0,0]=2 4299 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)O 1458a_100132301724_100011218427 [0,2,0,0,0,0|0,0,0]=2 4300 B12R0.191 CCOC(=O)C(C)C(=O)CC(F)F 1458a_100132301724_100011934356 [0,2,0,0,0,0|1,0,0]=3 4301 B12R0.191 CCOC(=O)C(C)C(=O)CN(C)C 1458a_100000750896_100011216346 [0,2,0,0,0,0|1,0,0]=3 4302 B12R0.191 CCOC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011216346 [0,2,0,0,0,0|0,0,0]=2 4303 B12R0.191 CCOC(=O)C(C)C(=O)C[N+](=O)[O-] 1458a_100132301724_100000761209 [0,2,0,0,0,0|2,0,0]=4 4304 B12R0.191 CCOC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100011216346 [0,2,0,0,0,0|1,0,0]=3 4305 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 11a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 4306 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 1626a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 4307 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 240690a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 4308 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 527a_100138425928_100132301724 [0,2,0,0,0,0|1,0,0]=3 4309 B12R0.191 CCOC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100011215307 [0,2,0,0,0,0|2,0,0]=4 4310 B12R0.191 CCOC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100011216346 [0,2,0,0,0,0|2,0,0]=4 4311 B12R0.191 CCOC(=O)C(C)N(C)CC(C)O 2230a_100000227577_100011215307 [0,2,0,0,0,0|2,0,0]=4 4312 B12R0.191 CCOC(=O)C(C)N(C)CC(C)O 269982a_100000227577_100011216346 [0,2,0,0,0,0|2,0,0]=4 4313 B12R0.191 CCOC(=O)C(F)C(=O)C=C(C)C 1458a_100000211388_100000760018 [0,2,0,0,0,0|0,0,2]=4 4314 B12R0.191 CCOC(=O)C(F)C(=O)C=C(C)Cl 1458a_200042562850_100000760018 [0,2,0,0,0,0|0,0,2]=4 4315 B12R0.191 CCOC(=O)C(F)C(=O)C=C(C)I 1458a_100025716642_100000760018 [0,2,0,0,0,0|0,0,2]=4 4316 B12R0.191 CCOC(=O)C(F)C(=O)CC(=O)N 1458a_100134613110_100000760018 [0,2,0,0,0,0|1,0,1]=4 4317 B12R0.191 CCOC(=O)C(F)C(=O)CC(C)C 1458a_100000210554_100000760018 [0,2,0,0,0,0|0,0,0]=2 4318 B12R0.191 CCOC(=O)C(F)C(=O)CN(C)C 1458a_100000750896_100000760018 [0,2,0,0,0,0|1,0,0]=3 4319 B12R0.191 CCOC(=O)C(F)C(=O)C[C@@H](C)O 1458a_100011933948_100000760018 [0,2,0,0,0,0|0,0,0]=2 4320 B12R0.191 CCOC(=O)C(F)C(=O)C[S+](C)C 1458a_200159257847_100000760018 [0,2,0,0,0,0|1,0,0]=3 4321 B12R0.191 CCOC(=O)C(F)N(C)CC(C)C 2230a_100000747067_100000760018 [0,2,0,0,0,0|2,0,0]=4 4322 B12R0.191 CCOC(=O)C(F)N(C)CC(C)C 269982a_100000747067_100000760018 [0,2,0,0,0,0|2,0,0]=4 4323 B12R0.191 CCOC(=O)C(F)N(C)CC(C)O 2230a_100000227577_100000760018 [0,2,0,0,0,0|2,0,0]=4 4324 B12R0.191 CCOC(=O)C(F)N(C)CC(C)O 269982a_100000227577_100000760018 [0,2,0,0,0,0|2,0,0]=4 4325 B12R0.191 COCC(=O)C(C)C(=O)NC(C)C 1458a_100000210968_100000195394 [0,2,0,0,0,0|2,0,0]=4 4326 B12R0.191 CSCC(=O)C(C)C(=O)NC(C)C 1458a_100000184570_100000195394 [0,2,0,0,0,0|2,0,0]=4 4327 B12R0.297 CCCN(CC)CC(=O)OC(C)C 2230a_100000226822_100011215430 [0,2,0,0,0,0|2,0,0]=4 4328 B12R0.297 CCCN(CC)CC(=O)OC(C)C 269982a_100000226822_100011215430 [0,2,0,0,0,0|2,0,0]=4 4329 B12R0.428 CCO[Si](C)(C)CC(=O)CC(C)C 1458a_100000210554_200000065227 [0,2,0,0,0,0|1,1,0]=4 4330 B12R0.428 CCO[Si](C)(C)CC(=O)C[C@@H](C)O 1458a_100011933948_200000065227 [0,2,0,0,0,0|1,1,0]=4 4331 B12R0.563 C/C=C(\C)/C(=O)CC(=O)OC(C)C 1458a_100020587367_100011215430 [0,2,0,0,0,0|0,0,2]=4 4332 B12R0.563 C=CC(C)C(=O)CC(=O)OC(C)C 1458a_100011216780_100011215430 [0,2,0,0,0,0|0,0,2]=4 4333 B12R0.563 CC(C)NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000183996 [0,2,0,0,0,0|2,0,0]=4 4334 B12R0.563 CC(C)OC(=O)CC(=O)C(C)C#N 1458a_100000753662_100011215430 [0,2,0,0,0,0|1,0,1]=4 4335 B12R0.563 CC(C)OC(=O)CC(=O)C(O)CO 1458a_100011215603_100011215430 [0,2,0,0,0,0|1,0,0]=3 4336 B12R0.563 CCC(C)C(=O)CC(=O)NC(=O)C 1458a_100011192722_100000183797 [0,2,0,0,0,0|1,0,1]=4 4337 B12R0.563 CCC(C)C(=O)CC(=O)NC(C)C 1458a_100011192722_100000183996 [0,2,0,0,0,0|1,0,0]=3 4338 B12R0.563 CCC(C)C(=O)CC(=O)OC(C)C 1458a_100011192722_100011215430 [0,2,0,0,0,0|0,0,0]=2 4339 B12R0.563 CCC(C)N(C)CC(=O)OC(C)C 2230a_100000741768_100011215430 [0,2,0,0,0,0|2,0,0]=4 4340 B12R0.563 CCC(C)N(C)CC(=O)OC(C)C 269982a_100000741768_100011215430 [0,2,0,0,0,0|2,0,0]=4 4341 B12R0.563 CCC(O)C(=O)CC(=O)NC(=O)C 1458a_100011196387_100000183797 [0,2,0,0,0,0|1,0,1]=4 4342 B12R0.563 CCC(O)C(=O)CC(=O)NC(C)C 1458a_100011196387_100000183996 [0,2,0,0,0,0|1,0,0]=3 4343 B12R0.563 CCC(O)C(=O)CC(=O)OC(C)C 1458a_100011196387_100011215430 [0,2,0,0,0,0|0,0,0]=2 4344 B12R0.563 CCN(C)C(=O)CC(=O)CC(C)C 1458a_100000210554_100011894763 [0,2,0,0,0,0|1,0,0]=3 4345 B12R0.563 CCN(C)C(=O)CC(=O)CN(C)C 1458a_100000750896_100011894763 [0,2,0,0,0,0|2,0,0]=4 4346 B12R0.563 CCN(C)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011894763 [0,2,0,0,0,0|1,0,0]=3 4347 B12R0.563 CCN(C)C(=O)CC(=O)C[S+](C)C 1458a_200159257847_100011894763 [0,2,0,0,0,0|2,0,0]=4 4348 B12R0.563 CNC(=O)C(=O)CC(=O)OC(C)C 1458a_100011218921_100011215430 [0,2,0,0,0,0|1,0,1]=4 4349 B12R0.563 COC(C)C(=O)CC(=O)NC(C)C 1458a_100000743197_100000183996 [0,2,0,0,0,0|2,0,0]=4 4350 B12R0.563 COC(C)C(=O)CC(=O)OC(C)C 1458a_100000743197_100011215430 [0,2,0,0,0,0|1,0,0]=3 4351 B12R0.563 CON(C)C(=O)CC(=O)CC(C)C 1458a_100000210554_100000764215 [0,2,0,0,0,0|2,0,0]=4 4352 B12R0.563 CON(C)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000764215 [0,2,0,0,0,0|2,0,0]=4 4353 B12R0.563 CSC(C)C(=O)CC(=O)NC(C)C 1458a_100000149566_100000183996 [0,2,0,0,0,0|2,0,0]=4 4354 B12R0.563 CSC(C)C(=O)CC(=O)OC(C)C 1458a_100000149566_100011215430 [0,2,0,0,0,0|1,0,0]=3 4355 B12R0.744 CCCC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_100000210303 [0,2,0,0,0,0|2,0,0]=4 4356 B12R0.744 CCNC(=O)CS(=O)(=O)CC(C)C 11a_100015525214_200000740652 [0,2,0,0,0,0|2,0,0]=4 4357 B12R0.744 CCNC(=O)CS(=O)(=O)CC(C)C 240690a_100015525214_200000740652 [0,2,0,0,0,0|2,0,0]=4 4358 B12R0.744 CCNC(=O)CS(=O)(=O)CC(C)C 527a_100015525214_200000740652 [0,2,0,0,0,0|2,0,0]=4 4359 B12R0.744 CCOC(=O)CS(=O)(=O)NC(C)C 270084a_100138425928_100000738689 [0,2,0,0,0,0|2,0,0]=4 4360 B12R0.744 CCOC(=O)CS(=O)(=O)NC(C)C 274078a_100138425928_100000738689 [0,2,0,0,0,0|2,0,0]=4 4361 B12R0.103 C#CCCC(=O)CC(=C)OCOC 1458a_100000692101_100000042856 [0,2,0,0,0,0|1,0,1]=4 4362 B12R0.103 C#CCCC(=O)CC(=O)NCCC 1458a_100000692101_100000183358 [0,2,0,0,0,0|1,0,1]=4 4363 B12R0.103 C#CCCC(=O)CC(=O)OCC=C 1458a_100000692101_100000033060 [0,2,0,0,0,0|0,0,2]=4 4364 B12R0.103 C#CCCC(=O)CC(=O)OCCC 1458a_100000692101_200011215008 [0,2,0,0,0,0|0,0,1]=3 4365 B12R0.103 C=C(CC(=O)C#CCC)OCOC 1458a_100011827653_100000042856 [0,2,0,0,0,0|1,0,1]=4 4366 B12R0.103 C=C(CC(=O)C=CCC)OCOC 1458a_100000212282_100000042856 [0,2,0,0,0,0|1,0,1]=4 4367 B12R0.103 C=C(CC(=O)CC=CC)OCOC 1458a_100121576822_100000042856 [0,2,0,0,0,0|1,0,1]=4 4368 B12R0.103 C=C(CC(=O)CCC#N)OCOC 1458a_100011934036_100000042856 [0,2,0,0,0,0|1,0,1]=4 4369 B12R0.103 C=C(CC(=O)CCCC)OCOC 1458a_100000210183_100000042856 [0,2,0,0,0,0|1,0,0]=3 4370 B12R0.103 C=C(CC(=O)CCOC)OCOC 1458a_100000749529_100000042856 [0,2,0,0,0,0|1,0,0]=3 4371 B12R0.103 C=C(CC(=O)CCSC)OCOC 1458a_100000174002_100000042856 [0,2,0,0,0,0|1,0,0]=3 4372 B12R0.103 C=C(CC(=O)COCC)OCOC 1458a_100000211967_100000042856 [0,2,0,0,0,0|1,0,0]=3 4373 B12R0.103 C=C(CC(=O)CSCC)OCOC 1458a_100000230394_100000042856 [0,2,0,0,0,0|1,0,0]=3 4374 B12R0.103 C=CCCC(=O)CC(=C)OCOC 1458a_100000749702_100000042856 [0,2,0,0,0,0|1,0,1]=4 4375 B12R0.103 C=CCCC(=O)CC(=O)NCCC 1458a_100000749702_100000183358 [0,2,0,0,0,0|1,0,1]=4 4376 B12R0.103 C=CCCC(=O)CC(=O)OCC=C 1458a_100000749702_100000033060 [0,2,0,0,0,0|0,0,2]=4 4377 B12R0.103 C=CCCC(=O)CC(=O)OCCC 1458a_100000749702_200011215008 [0,2,0,0,0,0|0,0,1]=3 4378 B12R0.103 C=CCNC(=O)CC(=O)CCCC 1458a_100000210183_100000183597 [0,2,0,0,0,0|1,0,1]=4 4379 B12R0.103 C=CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183597 [0,2,0,0,0,0|1,0,1]=4 4380 B12R0.103 C=CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183597 [0,2,0,0,0,0|1,0,1]=4 4381 B12R0.103 C=CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183597 [0,2,0,0,0,0|0,0,2]=4 4382 B12R0.103 C=CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183597 [0,2,0,0,0,0|1,0,1]=4 4383 B12R0.103 C=CCOC(=O)CC(=O)C#CCC 1458a_100011827653_100000033060 [0,2,0,0,0,0|0,0,2]=4 4384 B12R0.103 C=CCOC(=O)CC(=O)C=CCC 1458a_100000212282_100000033060 [0,2,0,0,0,0|0,0,2]=4 4385 B12R0.103 C=CCOC(=O)CC(=O)CC=CC 1458a_100121576822_100000033060 [0,2,0,0,0,0|0,0,2]=4 4386 B12R0.103 C=CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000033060 [0,2,0,0,0,0|0,0,2]=4 4387 B12R0.103 C=CCOC(=O)CC(=O)CCCC 1458a_100000210183_100000033060 [0,2,0,0,0,0|0,0,1]=3 4388 B12R0.103 C=CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000033060 [0,2,0,0,0,0|0,0,1]=3 4389 B12R0.103 C=CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000033060 [0,2,0,0,0,0|0,0,1]=3 4390 B12R0.103 C=CCOC(=O)CC(=O)COCC 1458a_100000211967_100000033060 [0,2,0,0,0,0|0,0,1]=3 4391 B12R0.103 C=CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000033060 [0,2,0,0,0,0|0,0,1]=3 4392 B12R0.103 CC=CCC(=O)CC(=O)NCCC 1458a_100121576822_100000183358 [0,2,0,0,0,0|1,0,1]=4 4393 B12R0.103 CC=CCC(=O)CC(=O)OCCC 1458a_100121576822_200011215008 [0,2,0,0,0,0|0,0,1]=3 4394 B12R0.103 CCC#CC(=O)CC(=O)NCCC 1458a_100011827653_100000183358 [0,2,0,0,0,0|1,0,0]=3 4395 B12R0.103 CCC#CC(=O)CC(=O)OCCC 1458a_100011827653_200011215008 [0,2,0,0,0,0|0,0,1]=3 4396 B12R0.103 CCC=CC(=O)CC(=O)NCCC 1458a_100000212282_100000183358 [0,2,0,0,0,0|1,0,0]=3 4397 B12R0.103 CCC=CC(=O)CC(=O)OCCC 1458a_100000212282_200011215008 [0,2,0,0,0,0|0,0,1]=3 4398 B12R0.103 CCCCC(=O)CC(=O)NCC#N 1458a_100000210183_100000736037 [0,2,0,0,0,0|1,0,1]=4 4399 B12R0.103 CCCCC(=O)CC(=O)NCCC 1458a_100000210183_100000183358 [0,2,0,0,0,0|1,0,0]=3 4400 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,2,0,0,0,0|0,0,0]=2 4401 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [0,2,0,0,0,0|2,0,0]=4 4402 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [0,2,0,0,0,0|2,0,0]=4 4403 B12R0.103 CCCNC(=O)CC(=O)C#CCO 1458a_100000049017_100000183358 [0,2,0,0,0,0|1,0,1]=4 4404 B12R0.103 CCCNC(=O)CC(=O)C=COC 1458a_100016268678_100000183358 [0,2,0,0,0,0|1,0,1]=4 4405 B12R0.103 CCCNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183358 [0,2,0,0,0,0|1,0,1]=4 4406 B12R0.103 CCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183358 [0,2,0,0,0,0|1,0,0]=3 4407 B12R0.103 CCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183358 [0,2,0,0,0,0|1,0,0]=3 4408 B12R0.103 CCCNC(=O)CC(=O)COCC 1458a_100000211967_100000183358 [0,2,0,0,0,0|0,0,0]=2 4409 B12R0.103 CCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183358 [0,2,0,0,0,0|0,1,0]=3 4410 B12R0.103 CCCNC(=O)CN(C)COCC 269982a_100000684209_100000739092 [0,2,0,0,0,0|2,0,0]=4 4411 B12R0.103 CCCNC(=O)NC(=O)CNCC 2230a_100015525214_100000184120 [0,2,0,0,0,0|2,0,0]=4 4412 B12R0.103 CCCNC(=O)NC(=O)CSCC 62a_100000210202_100000184120 [0,2,0,0,0,0|1,1,0]=4 4413 B12R0.103 CCCOC(=O)CC(=NNCC)C 4a_100000756455_200000037925 [0,2,0,0,0,0|2,0,0]=4 4414 B12R0.103 CCCOC(=O)CC(=O)C#CCO 1458a_100000049017_200011215008 [0,2,0,0,0,0|0,0,2]=4 4415 B12R0.103 CCCOC(=O)CC(=O)C=COC 1458a_100016268678_200011215008 [0,2,0,0,0,0|0,0,2]=4 4416 B12R0.103 CCCOC(=O)CC(=O)CCC#N 1458a_100011934036_200011215008 [0,2,0,0,0,0|0,0,1]=3 4417 B12R0.103 CCCOC(=O)CC(=O)CCOC 1458a_100000749529_200011215008 [0,2,0,0,0,0|0,0,0]=2 4418 B12R0.103 CCCOC(=O)CC(=O)CCSC 1458a_100000174002_200011215008 [0,2,0,0,0,0|0,0,0]=2 4419 B12R0.103 CCCOC(=O)CC(=O)COCC 1458a_100000211967_200011215008 [0,2,0,0,0,0|0,0,0]=2 4420 B12R0.103 CCCOC(=O)CC(=O)CSCC 1458a_100000230394_200011215008 [0,2,0,0,0,0|0,0,0]=2 4421 B12R0.103 CCCOC(=O)CN(C)CCCO 2230a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 4422 B12R0.103 CCCOC(=O)CN(C)CCCO 269982a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 4423 B12R0.103 CCCOC(=O)CN(C)CCOC 2230a_100000743101_200011215008 [0,2,0,0,0,0|2,0,0]=4 4424 B12R0.103 CCCOC(=O)CN(C)CCOC 269982a_100000743101_200011215008 [0,2,0,0,0,0|2,0,0]=4 4425 B12R0.103 CCCOC(=O)CN(C)CCSC 2230a_100000686725_200011215008 [0,2,0,0,0,0|2,0,0]=4 4426 B12R0.103 CCCOC(=O)CN(C)CCSC 269982a_100000686725_200011215008 [0,2,0,0,0,0|2,0,0]=4 4427 B12R0.103 CCOCC(=O)CC(=O)NCC#N 1458a_100000211967_100000736037 [0,2,0,0,0,0|1,0,1]=4 4428 B12R0.103 CCSCC(=O)CC(=O)NCC#N 1458a_100000230394_100000736037 [0,2,0,0,0,0|1,0,1]=4 4429 B12R0.103 COCCC(=O)CC(=O)NCC#N 1458a_100000749529_100000736037 [0,2,0,0,0,0|1,0,1]=4 4430 B12R0.103 CSCCC(=O)CC(=O)NCC#N 1458a_100000174002_100000736037 [0,2,0,0,0,0|1,0,1]=4 4431 B12R0.132 CCCOC(=O)CN(CC)CCC 2230a_100000226822_200011215008 [0,2,0,0,0,0|2,0,0]=4 4432 B12R0.132 CCCOC(=O)CN(CC)CCC 269982a_100000226822_200011215008 [0,2,0,0,0,0|2,0,0]=4 4433 B12R0.134 C#CCCC(=O)CC(=O)N(C)CC 1458a_100000692101_100011894763 [0,2,0,0,0,0|1,0,1]=4 4434 B12R0.134 C/C=C(\C)/C(=O)CC(=O)NCCC 1458a_100020587367_100000183358 [0,2,0,0,0,0|1,0,1]=4 4435 B12R0.134 C/C=C(\C)/C(=O)CC(=O)OCCC 1458a_100020587367_200011215008 [0,2,0,0,0,0|0,0,2]=4 4436 B12R0.134 C=C(CC(=O)C(C)CC)OCOC 1458a_100011192722_100000042856 [0,2,0,0,0,0|1,0,0]=3 4437 B12R0.134 C=C(CC(=O)C(C)OC)OCOC 1458a_100000743197_100000042856 [0,2,0,0,0,0|2,0,0]=4 4438 B12R0.134 C=C(CC(=O)C(C)SC)OCOC 1458a_100000149566_100000042856 [0,2,0,0,0,0|2,0,0]=4 4439 B12R0.134 C=C(CC(=O)C(O)CC)OCOC 1458a_100011196387_100000042856 [0,2,0,0,0,0|1,0,0]=3 4440 B12R0.134 C=C(CC(=O)C(O)CO)OCOC 1458a_100011215603_100000042856 [0,2,0,0,0,0|2,0,0]=4 4441 B12R0.134 C=CC(C)C(=O)CC(=O)OCCC 1458a_100011216780_200011215008 [0,2,0,0,0,0|0,0,2]=4 4442 B12R0.134 C=CCCC(=O)CC(=O)N(C)CC 1458a_100000749702_100011894763 [0,2,0,0,0,0|1,0,1]=4 4443 B12R0.134 C=CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183597 [0,2,0,0,0,0|1,0,1]=4 4444 B12R0.134 C=CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183597 [0,2,0,0,0,0|1,0,1]=4 4445 B12R0.134 C=CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000033060 [0,2,0,0,0,0|0,0,1]=3 4446 B12R0.134 C=CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000033060 [0,2,0,0,0,0|1,0,1]=4 4447 B12R0.134 C=CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000033060 [0,2,0,0,0,0|1,0,1]=4 4448 B12R0.134 C=CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000033060 [0,2,0,0,0,0|0,0,1]=3 4449 B12R0.134 C=CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000033060 [0,2,0,0,0,0|1,0,1]=4 4450 B12R0.134 CC=CCC(=O)CC(=O)N(C)CC 1458a_100121576822_100011894763 [0,2,0,0,0,0|1,0,1]=4 4451 B12R0.134 CCC#CC(=O)CC(=O)N(C)CC 1458a_100011827653_100011894763 [0,2,0,0,0,0|1,0,1]=4 4452 B12R0.134 CCC(C)C(=O)CC(=O)NCC#N 1458a_100011192722_100000736037 [0,2,0,0,0,0|1,0,1]=4 4453 B12R0.134 CCC(O)C(=O)CC(=O)NCC#N 1458a_100011196387_100000736037 [0,2,0,0,0,0|1,0,1]=4 4454 B12R0.134 CCC=CC(=O)CC(=O)N(C)CC 1458a_100000212282_100011894763 [0,2,0,0,0,0|1,0,1]=4 4455 B12R0.134 CCCCC(=O)CC(=O)N(C)CC 1458a_100000210183_100011894763 [0,2,0,0,0,0|1,0,0]=3 4456 B12R0.134 CCCCC(=O)CC(=O)N(C)OC 1458a_100000210183_100000764215 [0,2,0,0,0,0|2,0,0]=4 4457 B12R0.134 CCCNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183358 [0,2,0,0,0,0|2,0,0]=4 4458 B12R0.134 CCCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183358 [0,2,0,0,0,0|1,0,0]=3 4459 B12R0.134 CCCNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183358 [0,2,0,0,0,0|2,0,0]=4 4460 B12R0.134 CCCNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183358 [0,2,0,0,0,0|2,0,0]=4 4461 B12R0.134 CCCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183358 [0,2,0,0,0,0|1,0,0]=3 4462 B12R0.134 CCCNC(=O)CC(=O)C(O)CO 1458a_100011215603_100000183358 [0,2,0,0,0,0|2,0,0]=4 4463 B12R0.134 CCCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_200011215008 [0,2,0,0,0,0|1,0,1]=4 4464 B12R0.134 CCCOC(=O)CC(=O)C(C)C#N 1458a_100000753662_200011215008 [0,2,0,0,0,0|1,0,1]=4 4465 B12R0.134 CCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_200011215008 [0,2,0,0,0,0|0,0,0]=2 4466 B12R0.134 CCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_200011215008 [0,2,0,0,0,0|1,0,0]=3 4467 B12R0.134 CCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_200011215008 [0,2,0,0,0,0|1,0,0]=3 4468 B12R0.134 CCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_200011215008 [0,2,0,0,0,0|0,0,0]=2 4469 B12R0.134 CCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_200011215008 [0,2,0,0,0,0|1,0,0]=3 4470 B12R0.134 CCCOC(=O)CN(C)C(C)CC 2230a_100000741768_200011215008 [0,2,0,0,0,0|2,0,0]=4 4471 B12R0.134 CCCOC(=O)CN(C)C(C)CC 269982a_100000741768_200011215008 [0,2,0,0,0,0|2,0,0]=4 4472 B12R0.134 CCN(C)C(=O)CC(=O)CCC#N 1458a_100011934036_100011894763 [0,2,0,0,0,0|1,0,1]=4 4473 B12R0.134 CCN(C)C(=O)CC(=O)CCOC 1458a_100000749529_100011894763 [0,2,0,0,0,0|1,0,0]=3 4474 B12R0.134 CCN(C)C(=O)CC(=O)CCSC 1458a_100000174002_100011894763 [0,2,0,0,0,0|1,0,0]=3 4475 B12R0.134 CCOCC(=O)CC(=O)N(C)CC 1458a_100000211967_100011894763 [0,2,0,0,0,0|1,0,0]=3 4476 B12R0.134 CCOCC(=O)CC(=O)N(C)OC 1458a_100000211967_100000764215 [0,2,0,0,0,0|2,0,0]=4 4477 B12R0.134 CCSCC(=O)CC(=O)N(C)CC 1458a_100000230394_100011894763 [0,2,0,0,0,0|1,0,0]=3 4478 B12R0.134 CCSCC(=O)CC(=O)N(C)OC 1458a_100000230394_100000764215 [0,2,0,0,0,0|2,0,0]=4 4479 B12R0.134 COCCC(=O)CC(=O)N(C)OC 1458a_100000749529_100000764215 [0,2,0,0,0,0|2,0,0]=4 4480 B12R0.134 CON(C)C(=O)CC(=O)CCSC 1458a_100000174002_100000764215 [0,2,0,0,0,0|2,0,0]=4 4481 B12R0.239 C#CCC(=O)CC(=O)OCCCC 1458a_100011220946_100000211628 [0,2,0,0,0,0|0,0,2]=4 4482 B12R0.239 C#CCC(=O)CC(=O)OCCOC 1458a_100011220946_200000040189 [0,2,0,0,0,0|0,0,2]=4 4483 B12R0.239 C#CCCCC(=O)CC(=C)CCC 1458a_100000138376_100000731252 [0,2,0,0,0,0|2,0,0]=4 4484 B12R0.239 C#CCCCC(=O)CC(=O)CCC 1458a_100000690238_100000747444 [0,2,0,0,0,0|1,0,0]=3 4485 B12R0.239 C#CCCCC(=O)CC(=O)NCC 1458a_100000690238_100000183381 [0,2,0,0,0,0|1,0,0]=3 4486 B12R0.239 C#CCCCC(=O)CC(=O)NCO 1458a_100000690238_100000185155 [0,2,0,0,0,0|2,0,0]=4 4487 B12R0.239 C#CCCCC(=O)CC(=O)OC=C 1458a_100000690238_100000036128 [0,2,0,0,0,0|0,0,2]=4 4488 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,2,0,0,0,0|0,0,0]=2 4489 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,2,0,0,0,0|0,0,0]=2 4490 B12R0.239 C#CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000731252 [0,2,0,0,0,0|2,0,0]=4 4491 B12R0.239 C#CCCCN(C)CC(=O)OCC 2230a_100000220588_100000731252 [0,2,0,0,0,0|2,0,0]=4 4492 B12R0.239 C#CCCNC(=O)CC(=C)CCC 11a_100000755551_100000138376 [0,2,0,0,0,0|2,0,0]=4 4493 B12R0.239 C#CCCNC(=O)CC(=C)CCC 240690a_100000755551_100000138376 [0,2,0,0,0,0|2,0,0]=4 4494 B12R0.239 C#CCCNC(=O)CC(=C)CCC 527a_100000755551_100000138376 [0,2,0,0,0,0|2,0,0]=4 4495 B12R0.239 C#CCCNC(=O)CC(=O)OCC 240690a_100000755551_100000243816 [0,2,0,0,0,0|0,0,1]=3 4496 B12R0.239 C#CCCNC(=O)CS(=O)CCC 11a_100000755551_100011387404 [0,2,0,0,0,0|2,0,0]=4 4497 B12R0.239 C#CCCNC(=O)CS(=O)CCC 1626a_100000755551_100011387404 [0,2,0,0,0,0|2,0,0]=4 4498 B12R0.239 C#CCCNC(=O)CS(=O)CCC 240690a_100000755551_100011387404 [0,2,0,0,0,0|2,0,0]=4 4499 B12R0.239 C#CCCNC(=O)CS(=O)CCC 527a_100000755551_100011387404 [0,2,0,0,0,0|2,0,0]=4 4500 B12R0.239 C#CCOCC(=O)CC(=O)CCC 1458a_100011251226_100000747444 [0,2,0,0,0,0|0,0,1]=3 4501 B12R0.239 C#CCOCC(=O)CC(=O)NCC 1458a_100011251226_100000183381 [0,2,0,0,0,0|1,0,1]=4 4502 B12R0.239 C#CCOCC(=O)CC(=O)OCC 1458a_100011251226_100000188475 [0,2,0,0,0,0|0,0,1]=3 4503 B12R0.239 C#CCSCC(=O)CC(=O)OCC 62a_100000038162_100000210311 [0,2,0,0,0,0|0,0,1]=3 4504 B12R0.239 C#CCSCC(=O)NC(=O)OCC 62a_100000038162_100000010344 [0,2,0,0,0,0|1,0,1]=4 4505 B12R0.239 C/C=C/C=CC(=O)CC(=O)CCC 1458a_100000185730_100000747444 [0,2,0,0,0,0|1,0,1]=4 4506 B12R0.239 C/C=C/C=CC(=O)CC(=O)OCC 1458a_100000185730_100000188475 [0,2,0,0,0,0|0,0,2]=4 4507 B12R0.239 C=C(CCC)CC(=O)C/C=C\CC 1458a_100000138376_100103147603 [0,2,0,0,0,0|2,0,0]=4 4508 B12R0.239 C=C(CCC)CC(=O)CC#CCC 1458a_100000138376_100009813939 [0,2,0,0,0,0|2,0,0]=4 4509 B12R0.239 C=C(CCC)CC(=O)CCCC#N 1458a_100000138376_100000211468 [0,2,0,0,0,0|2,0,0]=4 4510 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,2,0,0,0,0|2,0,0]=4 4511 B12R0.239 C=C(CCC)CC(=O)CCCCF 1458a_100000138376_100000729493 [0,2,0,0,0,0|2,0,0]=4 4512 B12R0.239 C=C(CCC)CC(=O)CCCCO 1458a_100000138376_100000210776 [0,2,0,0,0,0|2,0,0]=4 4513 B12R0.239 C=C(CCC)CC(=O)CCCOC 1458a_100000138376_100000740836 [0,2,0,0,0,0|2,0,0]=4 4514 B12R0.239 C=C(CCC)CC(=O)CCOCC 1458a_100000138376_100011215890 [0,2,0,0,0,0|1,0,0]=3 4515 B12R0.239 C=C(CCC)CC(=O)CCSCC 1458a_100000138376_100000757381 [0,2,0,0,0,0|1,1,0]=4 4516 B12R0.239 C=C(CCC)CC(=O)NCC#CC 11a_100000685387_100000138376 [0,2,0,0,0,0|2,0,0]=4 4517 B12R0.239 C=C(CCC)CC(=O)NCC#CC 527a_100000685387_100000138376 [0,2,0,0,0,0|2,0,0]=4 4518 B12R0.239 C=C(CCC)CC(=O)NCCC#N 11a_100000720768_100000138376 [0,2,0,0,0,0|2,0,0]=4 4519 B12R0.239 C=C(CCC)CC(=O)NCCC#N 240690a_100000720768_100000138376 [0,2,0,0,0,0|2,0,0]=4 4520 B12R0.239 C=C(CCC)CC(=O)NCCC#N 527a_100000720768_100000138376 [0,2,0,0,0,0|2,0,0]=4 4521 B12R0.239 C=C(CCC)CC(=O)NCCCC 11a_100000102301_100000138376 [0,2,0,0,0,0|2,0,0]=4 4522 B12R0.239 C=C(CCC)CC(=O)NCCCC 240690a_100000102301_100000138376 [0,2,0,0,0,0|2,0,0]=4 4523 B12R0.239 C=C(CCC)CC(=O)NCCCC 527a_100000102301_100000138376 [0,2,0,0,0,0|2,0,0]=4 4524 B12R0.239 C=C(CCC)CC(=O)NCCCF 11a_100015189416_100000138376 [0,2,0,0,0,0|2,0,0]=4 4525 B12R0.239 C=C(CCC)CC(=O)NCCCF 240690a_100015189416_100000138376 [0,2,0,0,0,0|2,0,0]=4 4526 B12R0.239 C=C(CCC)CC(=O)NCCCF 527a_100015189416_100000138376 [0,2,0,0,0,0|2,0,0]=4 4527 B12R0.239 C=C(CCC)CC(=O)NCCCO 240690a_100000182051_100000138376 [0,2,0,0,0,0|2,0,0]=4 4528 B12R0.239 C=C(CCC)CC(=O)NCCCO 527a_100000182051_100000138376 [0,2,0,0,0,0|2,0,0]=4 4529 B12R0.239 C=C(CCC)CC(=O)NCCOC 240690a_100000209980_100000138376 [0,2,0,0,0,0|2,0,0]=4 4530 B12R0.239 C=C(CCC)CC(=O)NCCOC 527a_100000209980_100000138376 [0,2,0,0,0,0|2,0,0]=4 4531 B12R0.239 C=C(CCC)CC(=O)NCCSC 11a_100020590264_100000138376 [0,2,0,0,0,0|2,0,0]=4 4532 B12R0.239 C=C(CCC)CC(=O)NCCSC 240690a_100020590264_100000138376 [0,2,0,0,0,0|2,0,0]=4 4533 B12R0.239 C=C(CCC)CC(=O)NCCSC 527a_100020590264_100000138376 [0,2,0,0,0,0|2,0,0]=4 4534 B12R0.239 C=C(CCC)CC(=O)NNCCC 22a_100000740057_100000138376 [0,2,0,0,0,0|2,0,0]=4 4535 B12R0.239 C=C(CCC)CC(=O)NNCCO 22a_100000210001_100000138376 [0,2,0,0,0,0|2,0,0]=4 4536 B12R0.239 C=CCC(=O)CC(=O)OCCCC 1458a_100000210193_100000211628 [0,2,0,0,0,0|0,0,2]=4 4537 B12R0.239 C=CCC(=O)CC(=O)OCCOC 1458a_100000210193_200000040189 [0,2,0,0,0,0|0,0,2]=4 4538 B12R0.239 C=CCCCC(=O)CC(=C)CCC 1458a_100000138376_100000757094 [0,2,0,0,0,0|2,0,0]=4 4539 B12R0.239 C=CCCCC(=O)CC(=O)CCC 1458a_100000766728_100000747444 [0,2,0,0,0,0|1,0,0]=3 4540 B12R0.239 C=CCCCC(=O)CC(=O)NCC 1458a_100000766728_100000183381 [0,2,0,0,0,0|1,0,0]=3 4541 B12R0.239 C=CCCCC(=O)CC(=O)NCO 1458a_100000766728_100000185155 [0,2,0,0,0,0|2,0,0]=4 4542 B12R0.239 C=CCCCC(=O)CC(=O)OC=C 1458a_100000766728_100000036128 [0,2,0,0,0,0|0,0,2]=4 4543 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,2,0,0,0,0|0,0,0]=2 4544 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,2,0,0,0,0|0,0,0]=2 4545 B12R0.239 C=CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000757094 [0,2,0,0,0,0|2,0,0]=4 4546 B12R0.239 C=CCCCN(C)CC(=O)OCC 2230a_100000220588_100011713584 [0,2,0,0,0,0|2,0,0]=4 4547 B12R0.239 C=CCCNC(=O)CC(=C)CCC 11a_100015191253_100000138376 [0,2,0,0,0,0|2,0,0]=4 4548 B12R0.239 C=CCCNC(=O)CC(=C)CCC 240690a_100015191253_100000138376 [0,2,0,0,0,0|2,0,0]=4 4549 B12R0.239 C=CCCNC(=O)CC(=C)CCC 527a_100015191253_100000138376 [0,2,0,0,0,0|2,0,0]=4 4550 B12R0.239 C=CCCNC(=O)CC(=O)OCC 240690a_100015191253_100000243816 [0,2,0,0,0,0|0,0,1]=3 4551 B12R0.239 C=CCCNC(=O)CS(=O)CCC 11a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 4552 B12R0.239 C=CCCNC(=O)CS(=O)CCC 1626a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 4553 B12R0.239 C=CCCNC(=O)CS(=O)CCC 240690a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 4554 B12R0.239 C=CCCNC(=O)CS(=O)CCC 527a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 4555 B12R0.239 C=CCNNC(=O)CC(=O)OCC 22a_100020588587_100000243816 [0,2,0,0,0,0|0,0,2]=4 4556 B12R0.239 C=CCSCC(=O)CC(=O)CCC 1458a_100000230395_100000747444 [0,2,0,0,0,0|0,1,1]=4 4557 B12R0.239 C=CCSCC(=O)CC(=O)NCC 1458a_100000230395_100000183381 [0,2,0,0,0,0|1,0,1]=4 4558 B12R0.239 C=CCSCC(=O)CC(=O)OCC 1458a_100000230395_100000188475 [0,2,0,0,0,0|0,0,1]=3 4559 B12R0.239 C=CCSCC(=O)CC(=O)OCC 62a_100000210311_100000210623 [0,2,0,0,0,0|0,0,1]=3 4560 B12R0.239 C=CCSCC(=O)CC(=O)OCC 62a_100000210623_100000210311 [0,2,0,0,0,0|0,0,1]=3 4561 B12R0.239 C=CCSCC(=O)NC(=O)OCC 62a_100000210623_100000010344 [0,2,0,0,0,0|1,0,1]=4 4562 B12R0.239 C=COC(=O)CC(=O)C#CCCC 1458a_200011218047_100000036128 [0,2,0,0,0,0|0,0,2]=4 4563 B12R0.239 C=COC(=O)CC(=O)C/C=C/CC 1458a_100016274230_100000036128 [0,2,0,0,0,0|0,0,2]=4 4564 B12R0.239 C=COC(=O)CC(=O)C=CCCC 1458a_100000212230_100000036128 [0,2,0,0,0,0|0,0,2]=4 4565 B12R0.239 C=COC(=O)CC(=O)CCCC#N 1458a_100000075515_100000036128 [0,2,0,0,0,0|0,0,2]=4 4566 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,2,0,0,0,0|0,0,2]=4 4567 B12R0.239 C=COC(=O)CC(=O)CCCCO 1458a_100000695505_100000036128 [0,2,0,0,0,0|0,0,2]=4 4568 B12R0.239 C=COC(=O)CC(=O)CCCOC 1458a_100000741012_100000036128 [0,2,0,0,0,0|0,0,2]=4 4569 B12R0.239 C=COC(=O)CC(=O)CCCSC 1458a_100000173376_100000036128 [0,2,0,0,0,0|0,0,2]=4 4570 B12R0.239 C=COC(=O)CC(=O)CCOCC 1458a_100000749530_100000036128 [0,2,0,0,0,0|0,0,2]=4 4571 B12R0.239 C=COC(=O)CC(=O)CCSCC 1458a_100000230768_100000036128 [0,2,0,0,0,0|0,0,2]=4 4572 B12R0.239 C=COC(=O)CC(=O)COCCC 1458a_100000745993_100000036128 [0,2,0,0,0,0|0,0,2]=4 4573 B12R0.239 C=COC(=O)CC(=O)COCCO 1458a_100000708028_100000036128 [0,2,0,0,0,0|0,0,2]=4 4574 B12R0.239 C=COC(=O)CC(=O)CSCCC 1458a_100000217233_100000036128 [0,2,0,0,0,0|0,0,2]=4 4575 B12R0.239 C=COCCC(=O)CC(=O)OCC 1458a_100000243816_100000039644 [0,2,0,0,0,0|0,0,1]=3 4576 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,2,0,0,0,0|1,0,1]=4 4577 B12R0.239 CC#CC(=O)CC(=O)NCCCC 1458a_100000763181_100000182744 [0,2,0,0,0,0|1,0,1]=4 4578 B12R0.239 CC#CC(=O)CC(=O)NCCOC 1458a_100000763181_100000183275 [0,2,0,0,0,0|1,0,1]=4 4579 B12R0.239 CC#CC(=O)CC(=O)OCCCC 1458a_100000763181_100000211628 [0,2,0,0,0,0|0,0,2]=4 4580 B12R0.239 CC#CC(=O)CC(=O)OCCOC 1458a_100000763181_200000040189 [0,2,0,0,0,0|0,0,2]=4 4581 B12R0.239 CC#CCNC(=O)CS(=O)CCC 11a_100000685387_100011387404 [0,2,0,0,0,0|2,0,0]=4 4582 B12R0.239 CC#CCNC(=O)CS(=O)CCC 1626a_100000685387_100011387404 [0,2,0,0,0,0|2,0,0]=4 4583 B12R0.239 CC#CCNC(=O)CS(=O)CCC 527a_100000685387_100011387404 [0,2,0,0,0,0|2,0,0]=4 4584 B12R0.239 CC/C=C/CC(=O)CC(=O)CCC 1458a_100016274230_100000747444 [0,2,0,0,0,0|1,0,0]=3 4585 B12R0.239 CC/C=C/CC(=O)CC(=O)NCC 1458a_100016274230_100000183381 [0,2,0,0,0,0|1,0,0]=3 4586 B12R0.239 CC/C=C/CC(=O)CC(=O)NCO 1458a_100016274230_100000185155 [0,2,0,0,0,0|2,0,0]=4 4587 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,2,0,0,0,0|0,0,0]=2 4588 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,2,0,0,0,0|0,0,0]=2 4589 B12R0.239 CC/C=C\CC(=O)CS(=O)CCC 1458a_100011387404_100103147603 [0,2,0,0,0,0|2,0,0]=4 4590 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,2,0,0,0,0|2,0,0]=4 4591 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,2,0,0,0,0|1,0,1]=4 4592 B12R0.239 CC=CC(=O)CC(=O)NCCCC 1458a_100000210699_100000182744 [0,2,0,0,0,0|1,0,1]=4 4593 B12R0.239 CC=CC(=O)CC(=O)NCCOC 1458a_100000210699_100000183275 [0,2,0,0,0,0|1,0,1]=4 4594 B12R0.239 CC=CC(=O)CC(=O)OCCCC 1458a_100000210699_100000211628 [0,2,0,0,0,0|0,0,2]=4 4595 B12R0.239 CC=CC(=O)CC(=O)OCCOC 1458a_100000210699_200000040189 [0,2,0,0,0,0|0,0,2]=4 4596 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,2,0,0,0,0|0,0,0]=2 4597 B12R0.239 CCC#CCC(=O)CS(=O)CCC 1458a_100011387404_100009813939 [0,2,0,0,0,0|2,0,0]=4 4598 B12R0.239 CCC#CCN(C)CC(=O)OCC 2230a_100000220588_100009813939 [0,2,0,0,0,0|2,0,0]=4 4599 B12R0.239 CCCC#CC(=O)CC(=O)CCC 1458a_200011218047_100000747444 [0,2,0,0,0,0|1,0,0]=3 4600 B12R0.239 CCCC#CC(=O)CC(=O)NCC 1458a_200011218047_100000183381 [0,2,0,0,0,0|1,0,0]=3 4601 B12R0.239 CCCC#CC(=O)CC(=O)NCO 1458a_200011218047_100000185155 [0,2,0,0,0,0|2,0,0]=4 4602 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,2,0,0,0,0|0,0,0]=2 4603 B12R0.239 CCCC(=CC(=O)CCOCC)C 1458a_100020676950_100011215890 [0,2,0,0,0,0|1,0,1]=4 4604 B12R0.239 CCCC(=O)CC(=O)C=CCOC 1458a_100016285016_100000747444 [0,2,0,0,0,0|1,0,0]=3 4605 B12R0.239 CCCC(=O)CC(=O)C=COCC 1458a_100016266692_100000747444 [0,2,0,0,0,0|0,0,0]=2 4606 B12R0.239 CCCC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747444 [0,2,0,0,0,0|1,0,0]=3 4607 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,2,0,0,0,0|1,0,0]=3 4608 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,2,0,0,0,0|1,0,0]=3 4609 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,2,0,0,0,0|1,0,0]=3 4610 B12R0.239 CCCC(=O)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000747444 [0,2,0,0,0,0|2,0,0]=4 4611 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,2,0,0,0,0|0,0,0]=2 4612 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,2,0,0,0,0|0,1,0]=3 4613 B12R0.239 CCCC(=O)CC(=O)COCCO 1458a_100000708028_100000747444 [0,2,0,0,0,0|0,0,0]=2 4614 B12R0.239 CCCC(=O)CC(=O)CSCC#N 1458a_100000150266_100000747444 [0,2,0,0,0,0|0,1,1]=4 4615 B12R0.239 CCCC(=O)CC(=O)NCCOC 1458a_100000211992_100000183275 [0,2,0,0,0,0|1,0,0]=3 4616 B12R0.239 CCCC(=O)CC(=O)OCCOC 1458a_100000211992_200000040189 [0,2,0,0,0,0|0,0,0]=2 4617 B12R0.239 CCCC(C)CC(=O)C=COCC 1458a_100016266692_100011216630 [0,2,0,0,0,0|1,0,1]=4 4618 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000748435_100011215890 [0,2,0,0,0,0|1,0,1]=4 4619 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000749530_100011216630 [0,2,0,0,0,0|1,0,1]=4 4620 B12R0.239 CCCC(C)CC(=O)COCCO 1458a_100000708028_100011216630 [0,2,0,0,0,0|1,0,1]=4 4621 B12R0.239 CCCC=CC(=O)CC(=O)CCC 1458a_100000212230_100000747444 [0,2,0,0,0,0|1,0,0]=3 4622 B12R0.239 CCCC=CC(=O)CC(=O)NCC 1458a_100000212230_100000183381 [0,2,0,0,0,0|1,0,0]=3 4623 B12R0.239 CCCC=CC(=O)CC(=O)NCO 1458a_100000212230_100000185155 [0,2,0,0,0,0|2,0,0]=4 4624 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,2,0,0,0,0|0,0,0]=2 4625 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|1,0,0]=3 4626 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|1,0,0]=3 4627 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|2,0,0]=4 4628 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|2,0,0]=4 4629 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,2,0,0,0,0|2,0,0]=4 4630 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|1,0,0]=3 4631 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,2,0,0,0,0|2,0,0]=4 4632 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|0,0,0]=2 4633 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|0,0,0]=2 4634 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,2,0,0,0,0|2,0,0]=4 4635 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,2,0,0,0,0|2,0,0]=4 4636 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,2,0,0,0,0|2,0,0]=4 4637 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,2,0,0,0,0|2,0,0]=4 4638 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,2,0,0,0,0|1,0,0]=3 4639 B12R0.239 CCCCNC(=O)CC(=O)CCO 1458a_100011216618_100000182744 [0,2,0,0,0,0|2,0,0]=4 4640 B12R0.239 CCCCNC(=O)CC(=O)COC 1458a_100000210968_100000182744 [0,2,0,0,0,0|2,0,0]=4 4641 B12R0.239 CCCCNC(=O)CC(=O)CSC 1458a_100000184570_100000182744 [0,2,0,0,0,0|2,0,0]=4 4642 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,2,0,0,0,0|0,0,0]=2 4643 B12R0.239 CCCCNC(=O)CS(=O)CCC 11a_100000102301_100011387404 [0,2,0,0,0,0|2,0,0]=4 4644 B12R0.239 CCCCNC(=O)CS(=O)CCC 1626a_100000102301_100011387404 [0,2,0,0,0,0|2,0,0]=4 4645 B12R0.239 CCCCNC(=O)CS(=O)CCC 240690a_100000102301_100011387404 [0,2,0,0,0,0|2,0,0]=4 4646 B12R0.239 CCCCNC(=O)CS(=O)CCC 527a_100000102301_100011387404 [0,2,0,0,0,0|2,0,0]=4 4647 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,2,0,0,0,0|1,0,1]=4 4648 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,2,0,0,0,0|1,0,1]=4 4649 B12R0.239 CCCCOC(=O)CC(=O)CC#N 1458a_100051588842_100000211628 [0,2,0,0,0,0|1,0,1]=4 4650 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|0,0,0]=2 4651 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [0,2,0,0,0,0|1,0,0]=3 4652 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,2,0,0,0,0|1,0,0]=3 4653 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [0,2,0,0,0,0|1,0,0]=3 4654 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [0,2,0,0,0,0|2,0,0]=4 4655 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [0,2,0,0,0,0|2,0,0]=4 4656 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,2,0,0,0,0|1,0,1]=4 4657 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,2,0,0,0,0|1,0,1]=4 4658 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,2,0,0,0,0|1,0,1]=4 4659 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,2,0,0,0,0|1,0,1]=4 4660 B12R0.239 CCCN(C)CC(=O)OCCOC 2230a_100000747261_200000040189 [0,2,0,0,0,0|2,0,0]=4 4661 B12R0.239 CCCN(C)CC(=O)OCCOC 269982a_100000747261_200000040189 [0,2,0,0,0,0|2,0,0]=4 4662 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,2,0,0,0,0|0,0,0]=2 4663 B12R0.239 CCCNNC(=O)CS(=O)CCC 22a_100000740057_100011387404 [0,2,0,0,0,0|2,0,0]=4 4664 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,2,0,0,0,0|1,0,1]=4 4665 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,2,0,0,0,0|0,0,0]=2 4666 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,2,0,0,0,0|1,0,0]=3 4667 B12R0.239 CCCOCC(=O)CC(=O)NCO 1458a_100000745993_100000185155 [0,2,0,0,0,0|2,0,0]=4 4668 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|0,0,0]=2 4669 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [0,2,0,0,0,0|1,0,1]=4 4670 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,2,0,0,0,0|0,0,2]=4 4671 B12R0.239 CCCS(=O)CC(=O)CCCC#N 1458a_100011387404_100000211468 [0,2,0,0,0,0|2,0,0]=4 4672 B12R0.239 CCCS(=O)CC(=O)CCCCF 1458a_100011387404_100000729493 [0,2,0,0,0,0|2,0,0]=4 4673 B12R0.239 CCCS(=O)CC(=O)CCCCO 1458a_100011387404_100000210776 [0,2,0,0,0,0|2,0,0]=4 4674 B12R0.239 CCCS(=O)CC(=O)CCCOC 1458a_100011387404_100000740836 [0,2,0,0,0,0|2,0,0]=4 4675 B12R0.239 CCCS(=O)CC(=O)CCOCC 1458a_100011387404_100011215890 [0,2,0,0,0,0|1,0,0]=3 4676 B12R0.239 CCCS(=O)CC(=O)CCSCC 1458a_100011387404_100000757381 [0,2,0,0,0,0|1,1,0]=4 4677 B12R0.239 CCCS(=O)CC(=O)NCCC#N 11a_100000720768_100011387404 [0,2,0,0,0,0|2,0,0]=4 4678 B12R0.239 CCCS(=O)CC(=O)NCCC#N 1626a_100000720768_100011387404 [0,2,0,0,0,0|2,0,0]=4 4679 B12R0.239 CCCS(=O)CC(=O)NCCC#N 240690a_100000720768_100011387404 [0,2,0,0,0,0|2,0,0]=4 4680 B12R0.239 CCCS(=O)CC(=O)NCCC#N 527a_100000720768_100011387404 [0,2,0,0,0,0|2,0,0]=4 4681 B12R0.239 CCCS(=O)CC(=O)NCCCF 11a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 4682 B12R0.239 CCCS(=O)CC(=O)NCCCF 1626a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 4683 B12R0.239 CCCS(=O)CC(=O)NCCCF 240690a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 4684 B12R0.239 CCCS(=O)CC(=O)NCCCF 527a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 4685 B12R0.239 CCCS(=O)CC(=O)NCCCO 240690a_100000182051_100011387404 [0,2,0,0,0,0|2,0,0]=4 4686 B12R0.239 CCCS(=O)CC(=O)NCCCO 527a_100000182051_100011387404 [0,2,0,0,0,0|2,0,0]=4 4687 B12R0.239 CCCS(=O)CC(=O)NCCOC 1626a_100000209980_100011387404 [0,2,0,0,0,0|2,0,0]=4 4688 B12R0.239 CCCS(=O)CC(=O)NCCOC 240690a_100000209980_100011387404 [0,2,0,0,0,0|2,0,0]=4 4689 B12R0.239 CCCS(=O)CC(=O)NCCOC 527a_100000209980_100011387404 [0,2,0,0,0,0|2,0,0]=4 4690 B12R0.239 CCCS(=O)CC(=O)NCCSC 11a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 4691 B12R0.239 CCCS(=O)CC(=O)NCCSC 1626a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 4692 B12R0.239 CCCS(=O)CC(=O)NCCSC 240690a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 4693 B12R0.239 CCCS(=O)CC(=O)NCCSC 527a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 4694 B12R0.239 CCCS(=O)CC(=O)NNCCO 22a_100000210001_100011387404 [0,2,0,0,0,0|2,0,0]=4 4695 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100000210303_100135422193 [0,2,0,0,0,0|1,0,1]=4 4696 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210303 [0,2,0,0,0,0|1,0,1]=4 4697 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,2,0,0,0,0|0,1,0]=3 4698 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,2,0,0,0,0|1,0,0]=3 4699 B12R0.239 CCCSCC(=O)CC(=O)NCO 1458a_100000217233_100000185155 [0,2,0,0,0,0|2,0,0]=4 4700 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,2,0,0,0,0|0,0,0]=2 4701 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,2,0,0,0,0|0,0,0]=2 4702 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,2,0,0,0,0|0,0,0]=2 4703 B12R0.239 CCCSCC(=O)NC(=O)NCC 62a_100000210303_100000183762 [0,2,0,0,0,0|2,0,0]=4 4704 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,2,0,0,0,0|1,0,0]=3 4705 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,2,0,0,0,0|0,0,2]=4 4706 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,2,0,0,0,0|0,0,2]=4 4707 B12R0.239 CCNC(=O)CC(=O)C=CCOC 1458a_100016285016_100000183381 [0,2,0,0,0,0|1,0,1]=4 4708 B12R0.239 CCNC(=O)CC(=O)C=COCC 1458a_100016266692_100000183381 [0,2,0,0,0,0|1,0,0]=3 4709 B12R0.239 CCNC(=O)CC(=O)CCCC#N 1458a_100000075515_100000183381 [0,2,0,0,0,0|1,0,0]=3 4710 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,2,0,0,0,0|1,0,0]=3 4711 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,2,0,0,0,0|1,0,0]=3 4712 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,2,0,0,0,0|1,0,0]=3 4713 B12R0.239 CCNC(=O)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000183381 [0,2,0,0,0,0|2,0,0]=4 4714 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,2,0,0,0,0|1,0,0]=3 4715 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,2,0,0,0,0|1,0,0]=3 4716 B12R0.239 CCNC(=O)CC(=O)COCCO 1458a_100000708028_100000183381 [0,2,0,0,0,0|1,0,0]=3 4717 B12R0.239 CCNC(=O)CC(=O)CSCC#N 1458a_100000150266_100000183381 [0,2,0,0,0,0|1,0,1]=4 4718 B12R0.239 CCNC(=O)NC(=O)CNCCO 2230a_100016997473_100000183762 [0,2,0,0,0,0|2,0,0]=4 4719 B12R0.239 CCNC(=O)NC(=O)CSCCF 62a_100011217306_100000183762 [0,2,0,0,0,0|2,0,0]=4 4720 B12R0.239 CCNC(=O)NC(=O)CSCCO 62a_100000211926_100000183762 [0,2,0,0,0,0|2,0,0]=4 4721 B12R0.239 CCNC(=O)NC(=O)CSCOC 62a_100000766300_100000183762 [0,2,0,0,0,0|2,0,0]=4 4722 B12R0.239 CCNC(=O)NC(=O)CSCSC 62a_100011218213_100000183762 [0,2,0,0,0,0|2,0,0]=4 4723 B12R0.239 CCOC(=O)C=C(C)CNCCF 34a_100000724931_100135422193 [0,2,0,0,0,0|1,0,1]=4 4724 B12R0.239 CCOC(=O)C=C(C)CNCCO 2230a_100016997473_100135422193 [0,2,0,0,0,0|1,0,1]=4 4725 B12R0.239 CCOC(=O)C=C(C)CNCCO 34a_100016990907_100135422193 [0,2,0,0,0,0|1,0,1]=4 4726 B12R0.239 CCOC(=O)C=C(C)COCCBr 34a_100000211926_100135422193 [0,2,0,0,0,0|1,0,1]=4 4727 B12R0.239 CCOC(=O)C=C(C)COCCN 34a_100000210304_100135422193 [0,2,0,0,0,0|1,0,1]=4 4728 B12R0.239 CCOC(=O)C=C(C)CSCCF 62a_100011217306_100135422193 [0,2,0,0,0,0|1,0,1]=4 4729 B12R0.239 CCOC(=O)C=C(C)CSCCF 62a_100135422193_100011217306 [0,2,0,0,0,0|1,0,1]=4 4730 B12R0.239 CCOC(=O)C=C(C)CSCCO 62a_100000211926_100135422193 [0,2,0,0,0,0|1,0,1]=4 4731 B12R0.239 CCOC(=O)C=C(C)CSCCO 62a_100135422193_100000211926 [0,2,0,0,0,0|1,0,1]=4 4732 B12R0.239 CCOC(=O)C=C(C)CSCOC 62a_100000766300_100135422193 [0,2,0,0,0,0|1,0,1]=4 4733 B12R0.239 CCOC(=O)C=C(C)CSCOC 62a_100135422193_100000766300 [0,2,0,0,0,0|1,0,1]=4 4734 B12R0.239 CCOC(=O)C=C(C)CSCSC 62a_100011218213_100135422193 [0,2,0,0,0,0|1,0,1]=4 4735 B12R0.239 CCOC(=O)C=C(C)CSCSC 62a_100135422193_100011218213 [0,2,0,0,0,0|1,0,1]=4 4736 B12R0.239 CCOC(=O)CC(=O)C=CCOC 1458a_100016285016_100000188475 [0,2,0,0,0,0|0,0,1]=3 4737 B12R0.239 CCOC(=O)CC(=O)CC#CCO 1458a_100000243816_200000047223 [0,2,0,0,0,0|0,0,1]=3 4738 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,2,0,0,0,0|0,0,0]=2 4739 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,2,0,0,0,0|0,0,0]=2 4740 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,2,0,0,0,0|0,0,0]=2 4741 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,2,0,0,0,0|0,0,0]=2 4742 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,2,0,0,0,0|0,0,0]=2 4743 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,2,0,0,0,0|0,0,0]=2 4744 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,2,0,0,0,0|0,0,0]=2 4745 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,2,0,0,0,0|0,0,0]=2 4746 B12R0.239 CCOC(=O)CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000188475 [0,2,0,0,0,0|1,0,0]=3 4747 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,2,0,0,0,0|0,0,0]=2 4748 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,2,0,0,0,0|0,0,0]=2 4749 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,2,0,0,0,0|0,0,0]=2 4750 B12R0.239 CCOC(=O)CC(=O)CSCC#N 1458a_100000150266_100000188475 [0,2,0,0,0,0|0,0,1]=3 4751 B12R0.239 CCOC(=O)CC(=O)CSCC#N 62a_100000210311_100011215382 [0,2,0,0,0,0|0,0,1]=3 4752 B12R0.239 CCOC(=O)CC(=O)CSCC#N 62a_100011215382_100000210311 [0,2,0,0,0,0|0,0,1]=3 4753 B12R0.239 CCOC(=O)CC(=O)CSCC=O 62a_100000210311_200015260668 [0,2,0,0,0,0|0,0,1]=3 4754 B12R0.239 CCOC(=O)CC(=O)CSCC=O 62a_200015260668_100000210311 [0,2,0,0,0,0|0,0,1]=3 4755 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,2,0,0,0,0|0,0,0]=2 4756 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,2,0,0,0,0|0,0,0]=2 4757 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,2,0,0,0,0|0,0,0]=2 4758 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,2,0,0,0,0|0,0,0]=2 4759 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,2,0,0,0,0|0,0,0]=2 4760 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,2,0,0,0,0|0,0,0]=2 4761 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,2,0,0,0,0|0,0,0]=2 4762 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,2,0,0,0,0|0,0,0]=2 4763 B12R0.239 CCOC(=O)CC(=O)NCCC#N 240690a_100000720768_100000243816 [0,2,0,0,0,0|0,0,1]=3 4764 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,2,0,0,0,0|0,0,0]=2 4765 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,2,0,0,0,0|0,0,0]=2 4766 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,2,0,0,0,0|0,0,0]=2 4767 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,2,0,0,0,0|0,0,0]=2 4768 B12R0.239 CCOC(=O)CC(=O)NNCCO 22a_100000210001_100000243816 [0,2,0,0,0,0|1,0,0]=3 4769 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,2,0,0,0,0|1,0,1]=4 4770 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,2,0,0,0,0|1,0,1]=4 4771 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,2,0,0,0,0|1,0,1]=4 4772 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,2,0,0,0,0|1,0,1]=4 4773 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,2,0,0,0,0|1,0,1]=4 4774 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,2,0,0,0,0|1,0,1]=4 4775 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,2,0,0,0,0|1,0,1]=4 4776 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,2,0,0,0,0|1,0,1]=4 4777 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,2,0,0,0,0|1,0,1]=4 4778 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,2,0,0,0,0|1,0,1]=4 4779 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,2,0,0,0,0|1,0,1]=4 4780 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,2,0,0,0,0|1,0,1]=4 4781 B12R0.239 CCOC(=O)CN(C)CCCC#N 2230a_100000220588_100000687738 [0,2,0,0,0,0|2,0,0]=4 4782 B12R0.239 CCOC(=O)CN(C)CCCC=O 2230a_100000220588_200011292268 [0,2,0,0,0,0|2,0,0]=4 4783 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,2,0,0,0,0|2,0,0]=4 4784 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,2,0,0,0,0|2,0,0]=4 4785 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 4786 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 4787 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,2,0,0,0,0|2,0,0]=4 4788 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 4789 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 4790 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,2,0,0,0,0|2,0,0]=4 4791 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,2,0,0,0,0|1,0,1]=4 4792 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,2,0,0,0,0|1,0,1]=4 4793 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,2,0,0,0,0|1,0,1]=4 4794 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,2,0,0,0,0|1,0,1]=4 4795 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [0,2,0,0,0,0|0,0,2]=4 4796 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,2,0,0,0,0|0,0,2]=4 4797 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,2,0,0,0,0|0,0,2]=4 4798 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,2,0,0,0,0|0,0,2]=4 4799 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [0,2,0,0,0,0|0,0,2]=4 4800 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [0,2,0,0,0,0|0,0,2]=4 4801 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,2,0,0,0,0|0,0,2]=4 4802 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,2,0,0,0,0|0,0,2]=4 4803 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [0,2,0,0,0,0|0,0,2]=4 4804 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [0,2,0,0,0,0|0,0,2]=4 4805 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [0,2,0,0,0,0|0,0,2]=4 4806 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [0,2,0,0,0,0|0,0,2]=4 4807 B12R0.239 CCOC(=O)NC(=O)CSCC#N 62a_100011215382_100000010344 [0,2,0,0,0,0|1,0,1]=4 4808 B12R0.239 CCOC(=O)NC(=O)CSCC=O 62a_200015260668_100000010344 [0,2,0,0,0,0|1,0,1]=4 4809 B12R0.239 CCOC(=O)NC(=O)CSCCF 62a_100011217306_100000010344 [0,2,0,0,0,0|1,0,0]=3 4810 B12R0.239 CCOC(=O)NC(=O)CSCCO 62a_100000211926_100000010344 [0,2,0,0,0,0|1,0,0]=3 4811 B12R0.239 CCOC(=O)NC(=O)CSCOC 62a_100000766300_100000010344 [0,2,0,0,0,0|1,0,0]=3 4812 B12R0.239 CCOC(=O)NC(=O)CSCSC 62a_100011218213_100000010344 [0,2,0,0,0,0|1,0,0]=3 4813 B12R0.239 CCOC=CC(=O)CC(=O)NCO 1458a_100016266692_100000185155 [0,2,0,0,0,0|2,0,0]=4 4814 B12R0.239 CCOC=CC(=O)CC(=O)OCC 1458a_100016266692_100000188475 [0,2,0,0,0,0|0,0,1]=3 4815 B12R0.239 CCOCCC(=O)CC(=O)NCO 1458a_100000749530_100000185155 [0,2,0,0,0,0|2,0,0]=4 4816 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,2,0,0,0,0|0,0,0]=2 4817 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,2,0,0,0,0|0,0,0]=2 4818 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,2,0,0,0,0|2,0,0]=4 4819 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,2,0,0,0,0|1,0,1]=4 4820 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,2,0,0,0,0|1,0,1]=4 4821 B12R0.239 CCSCCC(=O)CC(=O)NCO 1458a_100000230768_100000185155 [0,2,0,0,0,0|2,0,0]=4 4822 B12R0.239 COCCCC(=O)CC(=O)NCO 1458a_100000741012_100000185155 [0,2,0,0,0,0|2,0,0]=4 4823 B12R0.239 COCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183275 [0,2,0,0,0,0|2,0,0]=4 4824 B12R0.239 COCCNC(=O)CC(=O)COC 1458a_100000210968_100000183275 [0,2,0,0,0,0|2,0,0]=4 4825 B12R0.239 COCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183275 [0,2,0,0,0,0|2,0,0]=4 4826 B12R0.239 COCCOC(=O)CC(=O)CC#N 1458a_100051588842_200000040189 [0,2,0,0,0,0|1,0,1]=4 4827 B12R0.239 COCCOC(=O)CC(=O)CCO 1458a_100011216618_200000040189 [0,2,0,0,0,0|1,0,0]=3 4828 B12R0.239 COCCOC(=O)CC(=O)COC 1458a_100000210968_200000040189 [0,2,0,0,0,0|1,0,0]=3 4829 B12R0.239 COCCOC(=O)CC(=O)CSC 1458a_100000184570_200000040189 [0,2,0,0,0,0|1,0,0]=3 4830 B12R0.239 CSCCCC(=O)CC(=O)NCO 1458a_100000173376_100000185155 [0,2,0,0,0,0|2,0,0]=4 4831 B12R0.239 N#CCCCC(=O)CC(=O)NCO 1458a_100000075515_100000185155 [0,2,0,0,0,0|2,0,0]=4 4832 B12R0.239 O=C(CCCCO)CC(=O)NCO 1458a_100000695505_100000185155 [0,2,0,0,0,0|2,0,0]=4 4833 B12R0.239 O=C(COCCO)CC(=O)NCO 1458a_100000708028_100000185155 [0,2,0,0,0,0|2,0,0]=4 4834 B12R0.283 C=C(C)CCC(=O)CC(=C)CCC 1458a_100000138376_100000730704 [0,2,0,0,0,0|2,0,0]=4 4835 B12R0.283 C=C(C)CCC(=O)CC(=O)CCC 1458a_200000688413_100000747444 [0,2,0,0,0,0|1,0,0]=3 4836 B12R0.283 C=C(C)CCC(=O)CC(=O)NCC 1458a_200000688413_100000183381 [0,2,0,0,0,0|1,0,0]=3 4837 B12R0.283 C=C(C)CCC(=O)CC(=O)NCO 1458a_200000688413_100000185155 [0,2,0,0,0,0|2,0,0]=4 4838 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_100000243816_100000730704 [0,2,0,0,0,0|0,0,0]=2 4839 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_200000688413_100000188475 [0,2,0,0,0,0|0,0,0]=2 4840 B12R0.283 C=C(C)CCC(=O)CS(=O)CCC 1458a_100011387404_100000730704 [0,2,0,0,0,0|2,0,0]=4 4841 B12R0.283 C=C(C)CCN(C)CC(=O)OCC 2230a_100000220588_100000730704 [0,2,0,0,0,0|2,0,0]=4 4842 B12R0.283 C=C(C)CNC(=O)CC(=C)CCC 11a_100000765925_100000138376 [0,2,0,0,0,0|2,0,0]=4 4843 B12R0.283 C=C(C)CNC(=O)CC(=C)CCC 240690a_100000765925_100000138376 [0,2,0,0,0,0|2,0,0]=4 4844 B12R0.283 C=C(C)CNC(=O)CC(=C)CCC 527a_100000765925_100000138376 [0,2,0,0,0,0|2,0,0]=4 4845 B12R0.283 C=C(C)CNC(=O)CC(=O)OCC 240690a_100000765925_100000243816 [0,2,0,0,0,0|0,0,1]=3 4846 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 11a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 4847 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 1626a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 4848 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 240690a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 4849 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 527a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 4850 B12R0.283 C=C(CCC)CC(=O)CCC(C)C 1458a_100000138376_100000210312 [0,2,0,0,0,0|2,0,0]=4 4851 B12R0.283 C=C(CCC)CC(=O)CCC(C)O 1458a_100000138376_100012276601 [0,2,0,0,0,0|2,0,0]=4 4852 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 11a_100000210953_100000138376 [0,2,0,0,0,0|2,0,0]=4 4853 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 240690a_100000210953_100000138376 [0,2,0,0,0,0|2,0,0]=4 4854 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 527a_100000210953_100000138376 [0,2,0,0,0,0|2,0,0]=4 4855 B12R0.283 C=C(CCC)CC(=O)NCC(C)O 11a_100000210904_100000138376 [0,2,0,0,0,0|2,0,0]=4 4856 B12R0.283 C=C(CCC)CC(=O)NCC(C)O 240690a_100000210904_100000138376 [0,2,0,0,0,0|2,0,0]=4 4857 B12R0.283 C=C(CCC)CC(=O)NCC(C)O 527a_100000210904_100000138376 [0,2,0,0,0,0|2,0,0]=4 4858 B12R0.283 C=C(CCC)CC(=O)NCC(F)F 11a_100000765723_100000138376 [0,2,0,0,0,0|2,0,0]=4 4859 B12R0.283 C=C(CCC)CC(=O)NCC(F)F 240690a_100000765723_100000138376 [0,2,0,0,0,0|2,0,0]=4 4860 B12R0.283 C=C(CCC)CC(=O)NCC(F)F 527a_100000765723_100000138376 [0,2,0,0,0,0|2,0,0]=4 4861 B12R0.283 C=C(CCC)CC(=O)NNC(C)C 22a_100000741168_100000138376 [0,2,0,0,0,0|2,0,0]=4 4862 B12R0.283 C=COC(=O)CC(=O)CCC(=C)C 1458a_200000688413_100000036128 [0,2,0,0,0,0|0,0,2]=4 4863 B12R0.283 C=COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000036128 [0,2,0,0,0,0|0,0,2]=4 4864 B12R0.283 C=COC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000036128 [0,2,0,0,0,0|0,0,2]=4 4865 B12R0.283 C=COC(=O)CC(=O)COC(C)C 1458a_100000745533_100000036128 [0,2,0,0,0,0|0,0,2]=4 4866 B12R0.283 C=COC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000036128 [0,2,0,0,0,0|0,0,2]=4 4867 B12R0.283 CC#CC(=O)CC(=O)NCC(C)C 1458a_100000763181_100000183291 [0,2,0,0,0,0|1,0,1]=4 4868 B12R0.283 CC(C)CCC(=O)CC(=O)NCO 1458a_100000181311_100000185155 [0,2,0,0,0,0|2,0,0]=4 4869 B12R0.283 CC(C)CNC(=O)CC(=O)CCO 1458a_100011216618_100000183291 [0,2,0,0,0,0|2,0,0]=4 4870 B12R0.283 CC(C)OCC(=O)CC(=O)NCO 1458a_100000745533_100000185155 [0,2,0,0,0,0|2,0,0]=4 4871 B12R0.283 CC(C)SCC(=O)CC(=O)NCO 1458a_100000241585_100000185155 [0,2,0,0,0,0|2,0,0]=4 4872 B12R0.283 CC=CC(=O)CC(=O)NCC(C)C 1458a_100000210699_100000183291 [0,2,0,0,0,0|1,0,1]=4 4873 B12R0.283 CCCC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000747444 [0,2,0,0,0,0|1,0,0]=3 4874 B12R0.283 CCCC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000747444 [0,2,0,0,0,0|1,0,1]=4 4875 B12R0.283 CCCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747444 [0,2,0,0,0,0|1,0,1]=4 4876 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,2,0,0,0,0|1,0,0]=3 4877 B12R0.283 CCCC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000747444 [0,2,0,0,0,0|2,0,0]=4 4878 B12R0.283 CCCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747444 [0,2,0,0,0,0|1,0,0]=3 4879 B12R0.283 CCCC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747444 [0,2,0,0,0,0|1,0,1]=4 4880 B12R0.283 CCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747444 [0,2,0,0,0,0|0,0,1]=3 4881 B12R0.283 CCCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747444 [0,2,0,0,0,0|0,0,0]=2 4882 B12R0.283 CCCC(=O)CC(=O)COC(F)F 1458a_200000719455_100000747444 [0,2,0,0,0,0|1,0,0]=3 4883 B12R0.283 CCCC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747444 [0,2,0,0,0,0|0,1,1]=4 4884 B12R0.283 CCCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747444 [0,2,0,0,0,0|0,1,0]=3 4885 B12R0.283 CCCC(=O)CC(=O)CSC(F)F 1458a_114828291038_100000747444 [0,2,0,0,0,0|1,1,0]=4 4886 B12R0.283 CCCC(=O)CC(=O)NCC(C)C 1458a_100000211992_100000183291 [0,2,0,0,0,0|1,0,0]=3 4887 B12R0.283 CCCC(=O)CC(=O)NNC(=O)C 1458a_100000211992_100000181415 [0,2,0,0,0,0|1,0,1]=4 4888 B12R0.283 CCCC(C)CC(=O)COC(C)C 1458a_100000745533_100011216630 [0,2,0,0,0,0|1,0,1]=4 4889 B12R0.283 CCCS(=O)CC(=O)CCC(C)C 1458a_100011387404_100000210312 [0,2,0,0,0,0|2,0,0]=4 4890 B12R0.283 CCCS(=O)CC(=O)CCC(C)O 1458a_100011387404_100012276601 [0,2,0,0,0,0|2,0,0]=4 4891 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 11a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 4892 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 1626a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 4893 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 240690a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 4894 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 527a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 4895 B12R0.283 CCCS(=O)CC(=O)NCC(C)O 11a_100000210904_100011387404 [0,2,0,0,0,0|2,0,0]=4 4896 B12R0.283 CCCS(=O)CC(=O)NCC(C)O 240690a_100000210904_100011387404 [0,2,0,0,0,0|2,0,0]=4 4897 B12R0.283 CCCS(=O)CC(=O)NCC(C)O 527a_100000210904_100011387404 [0,2,0,0,0,0|2,0,0]=4 4898 B12R0.283 CCCS(=O)CC(=O)NCC(F)F 11a_100000765723_100011387404 [0,2,0,0,0,0|2,0,0]=4 4899 B12R0.283 CCCS(=O)CC(=O)NCC(F)F 1626a_100000765723_100011387404 [0,2,0,0,0,0|2,0,0]=4 4900 B12R0.283 CCCS(=O)CC(=O)NCC(F)F 240690a_100000765723_100011387404 [0,2,0,0,0,0|2,0,0]=4 4901 B12R0.283 CCCS(=O)CC(=O)NCC(F)F 527a_100000765723_100011387404 [0,2,0,0,0,0|2,0,0]=4 4902 B12R0.283 CCCS(=O)CC(=O)NNC(C)C 22a_100000741168_100011387404 [0,2,0,0,0,0|2,0,0]=4 4903 B12R0.283 CCNC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000183381 [0,2,0,0,0,0|1,0,1]=4 4904 B12R0.283 CCNC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000183381 [0,2,0,0,0,0|1,0,1]=4 4905 B12R0.283 CCNC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000183381 [0,2,0,0,0,0|1,0,1]=4 4906 B12R0.283 CCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183381 [0,2,0,0,0,0|1,0,0]=3 4907 B12R0.283 CCNC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000183381 [0,2,0,0,0,0|2,0,0]=4 4908 B12R0.283 CCNC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000183381 [0,2,0,0,0,0|1,0,0]=3 4909 B12R0.283 CCNC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000183381 [0,2,0,0,0,0|1,0,1]=4 4910 B12R0.283 CCNC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000183381 [0,2,0,0,0,0|1,0,1]=4 4911 B12R0.283 CCNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183381 [0,2,0,0,0,0|1,0,0]=3 4912 B12R0.283 CCNC(=O)CC(=O)COC(F)F 1458a_200000719455_100000183381 [0,2,0,0,0,0|2,0,0]=4 4913 B12R0.283 CCNC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000183381 [0,2,0,0,0,0|1,0,1]=4 4914 B12R0.283 CCNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000183381 [0,2,0,0,0,0|1,0,0]=3 4915 B12R0.283 CCNC(=O)CC(=O)CSC(F)F 1458a_114828291038_100000183381 [0,2,0,0,0,0|2,0,0]=4 4916 B12R0.283 CCNC(=O)NC(=O)CNC(C)C 2230a_100138425928_100000183762 [0,2,0,0,0,0|2,0,0]=4 4917 B12R0.283 CCNC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183762 [0,2,0,0,0,0|2,0,0]=4 4918 B12R0.283 CCOC(=O)C=C(C)CNC(C)C 2230a_100138425928_100135422193 [0,2,0,0,0,0|1,0,1]=4 4919 B12R0.283 CCOC(=O)C=C(C)CNC(C)C 34a_100138425928_100135422193 [0,2,0,0,0,0|1,0,1]=4 4920 B12R0.283 CCOC(=O)C=C(C)COC(C)C 34a_100000212225_100135422193 [0,2,0,0,0,0|1,0,1]=4 4921 B12R0.283 CCOC(=O)C=C(C)CSC(C)C 62a_100000210206_100135422193 [0,2,0,0,0,0|1,0,1]=4 4922 B12R0.283 CCOC(=O)C=C(C)CSC(C)C 62a_100135422193_100000210206 [0,2,0,0,0,0|1,0,1]=4 4923 B12R0.283 CCOC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000188475 [0,2,0,0,0,0|0,0,1]=3 4924 B12R0.283 CCOC(=O)CC(=O)CC=C(C)C 1458a_100000243816_100000761012 [0,2,0,0,0,0|0,0,1]=3 4925 B12R0.283 CCOC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000188475 [0,2,0,0,0,0|0,0,1]=3 4926 B12R0.283 CCOC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000188475 [0,2,0,0,0,0|0,0,1]=3 4927 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [0,2,0,0,0,0|0,0,0]=2 4928 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [0,2,0,0,0,0|0,0,0]=2 4929 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [0,2,0,0,0,0|0,0,0]=2 4930 B12R0.283 CCOC(=O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000188475 [0,2,0,0,0,0|1,0,0]=3 4931 B12R0.283 CCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000188475 [0,2,0,0,0,0|0,0,0]=2 4932 B12R0.283 CCOC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000188475 [0,2,0,0,0,0|0,0,1]=3 4933 B12R0.283 CCOC(=O)CC(=O)CNC(=O)N 1458a_100000184981_100000188475 [0,2,0,0,0,0|1,0,1]=4 4934 B12R0.283 CCOC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000188475 [0,2,0,0,0,0|0,0,1]=3 4935 B12R0.283 CCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000188475 [0,2,0,0,0,0|0,0,0]=2 4936 B12R0.283 CCOC(=O)CC(=O)COC(F)F 1458a_200000719455_100000188475 [0,2,0,0,0,0|1,0,0]=3 4937 B12R0.283 CCOC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000188475 [0,2,0,0,0,0|0,0,1]=3 4938 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000188475 [0,2,0,0,0,0|0,0,0]=2 4939 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210311 [0,2,0,0,0,0|0,0,0]=2 4940 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210311_100000210206 [0,2,0,0,0,0|0,0,0]=2 4941 B12R0.283 CCOC(=O)CC(=O)CSC(F)F 1458a_114828291038_100000188475 [0,2,0,0,0,0|1,0,0]=3 4942 B12R0.283 CCOC(=O)CC(=O)NCC(=O)N 240690a_100000711301_100000243816 [0,2,0,0,0,0|1,0,1]=4 4943 B12R0.283 CCOC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000243816 [0,2,0,0,0,0|0,0,0]=2 4944 B12R0.283 CCOC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000243816 [0,2,0,0,0,0|0,0,0]=2 4945 B12R0.283 CCOC(=O)CC(=O)NCC(F)F 240690a_100000765723_100000243816 [0,2,0,0,0,0|1,0,0]=3 4946 B12R0.283 CCOC(=O)CC(=O)NNC(=O)C 22a_100000189765_100000243816 [0,2,0,0,0,0|1,0,1]=4 4947 B12R0.283 CCOC(=O)CC(=O)NNC(C)C 22a_100000741168_100000243816 [0,2,0,0,0,0|1,0,0]=3 4948 B12R0.283 CCOC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817359 [0,2,0,0,0,0|1,0,1]=4 4949 B12R0.283 CCOC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817359 [0,2,0,0,0,0|1,0,1]=4 4950 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100000210624_100009817359 [0,2,0,0,0,0|1,0,1]=4 4951 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100009817359_100000210760 [0,2,0,0,0,0|1,0,1]=4 4952 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100009817359_100011218427 [0,2,0,0,0,0|1,0,1]=4 4953 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100011218427_100009817359 [0,2,0,0,0,0|1,0,1]=4 4954 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817359_100009817552 [0,2,0,0,0,0|1,0,1]=4 4955 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817359 [0,2,0,0,0,0|1,0,1]=4 4956 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000220588_100000210312 [0,2,0,0,0,0|2,0,0]=4 4957 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000188475 [0,2,0,0,0,0|2,0,0]=4 4958 B12R0.283 CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000188475 [0,2,0,0,0,0|2,0,0]=4 4959 B12R0.283 CCOC(=O)CN(C)CCC(C)O 2230a_100000220588_100012276601 [0,2,0,0,0,0|2,0,0]=4 4960 B12R0.283 CCOC(=O)CN(C)CCN(C)C 269982a_100000225618_100000188475 [0,2,0,0,0,0|2,0,0]=4 4961 B12R0.283 CCOC(=O)CN(C)COC(C)C 2230a_100000220588_100000709892 [0,2,0,0,0,0|2,0,0]=4 4962 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,2,0,0,0,0|1,0,1]=4 4963 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [0,2,0,0,0,0|1,0,1]=4 4964 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 4965 B12R0.283 CCOC(=O)C[C@H](O)CNC(C)C 34a_100138425928_100000688340 [0,2,0,0,0,0|0,0,2]=4 4966 B12R0.283 CCOC(=O)C[C@H](O)COC(C)C 34a_100000212225_100000688340 [0,2,0,0,0,0|0,0,2]=4 4967 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000210206_100000688340 [0,2,0,0,0,0|0,0,2]=4 4968 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000688340_100000210206 [0,2,0,0,0,0|0,0,2]=4 4969 B12R0.283 CCOC(=O)NC(=O)CSC(C)C 62a_100000210206_100000010344 [0,2,0,0,0,0|1,0,0]=3 4970 B12R0.283 COCC(=O)CC(=O)NCC(C)C 1458a_100000210968_100000183291 [0,2,0,0,0,0|2,0,0]=4 4971 B12R0.283 CSCC(=O)CC(=O)NCC(C)C 1458a_100000184570_100000183291 [0,2,0,0,0,0|2,0,0]=4 4972 B12R0.283 C[S+](C)CCC(=O)CC(=O)NCO 1458a_100009452791_100000185155 [0,2,0,0,0,0|2,0,0]=4 4973 B12R0.353 C#CCC(=O)C(C)C(=O)OCCC 1458a_100011220946_100000760410 [0,2,0,0,0,0|0,0,2]=4 4974 B12R0.353 C#CCCC(=O)C(C)C(=O)NCC 1458a_100000692101_100000230173 [0,2,0,0,0,0|1,0,1]=4 4975 B12R0.353 C#CCCC(=O)C(C)C(=O)OCC 1458a_100000692101_100011216346 [0,2,0,0,0,0|0,0,1]=3 4976 B12R0.353 C#CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000753159 [0,2,0,0,0,0|0,0,1]=3 4977 B12R0.353 C#CCCC(=O)C(F)C(=O)OCC 1458a_100000692101_100000760018 [0,2,0,0,0,0|0,0,1]=3 4978 B12R0.353 C#CCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000735948 [0,2,0,0,0,0|1,0,1]=4 4979 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 11a_100000212058_100132301724 [0,2,0,0,0,0|0,0,2]=4 4980 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 1626a_100000212058_100132301724 [0,2,0,0,0,0|0,0,2]=4 4981 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 240690a_100000212058_100132301724 [0,2,0,0,0,0|0,0,2]=4 4982 B12R0.353 C#CCNC(=O)C(C)C(=O)OCC 527a_100000212058_100132301724 [0,2,0,0,0,0|0,0,2]=4 4983 B12R0.353 C/C=C/CC(=O)C(C)C(=O)OCC 1458a_100132301724_100102629194 [0,2,0,0,0,0|0,0,1]=3 4984 B12R0.353 C=CCC(=O)C(C)C(=O)OCCC 1458a_100000210193_100000760410 [0,2,0,0,0,0|0,0,2]=4 4985 B12R0.353 C=CCCC(=O)C(C)C(=O)NCC 1458a_100000749702_100000230173 [0,2,0,0,0,0|1,0,1]=4 4986 B12R0.353 C=CCCC(=O)C(C)C(=O)OCC 1458a_100000749702_100011216346 [0,2,0,0,0,0|0,0,1]=3 4987 B12R0.353 C=CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000754431 [0,2,0,0,0,0|0,0,1]=3 4988 B12R0.353 C=CCCC(=O)C(F)C(=O)OCC 1458a_100000749702_100000760018 [0,2,0,0,0,0|0,0,1]=3 4989 B12R0.353 C=CCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000230288 [0,2,0,0,0,0|1,0,1]=4 4990 B12R0.353 C=CCNC(=O)C(C)C(=O)OCC 1626a_100020586998_100132301724 [0,2,0,0,0,0|0,0,2]=4 4991 B12R0.353 C=CCNC(=O)C(C)C(=O)OCC 240690a_100020586998_100132301724 [0,2,0,0,0,0|0,0,2]=4 4992 B12R0.353 C=CCNC(=O)C(C)C(=O)OCC 527a_100020586998_100132301724 [0,2,0,0,0,0|0,0,2]=4 4993 B12R0.353 CC#CC(=O)C(C)C(=O)NCCC 1458a_100000763181_100000230305 [0,2,0,0,0,0|1,0,1]=4 4994 B12R0.353 CC#CC(=O)C(C)C(=O)OCCC 1458a_100000763181_100000760410 [0,2,0,0,0,0|0,0,2]=4 4995 B12R0.353 CC#CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000748600 [0,2,0,0,0,0|0,0,1]=3 4996 B12R0.353 CC=CC(=O)C(C)C(=O)NCCC 1458a_100000210699_100000230305 [0,2,0,0,0,0|1,0,1]=4 4997 B12R0.353 CC=CC(=O)C(C)C(=O)OCCC 1458a_100000210699_100000760410 [0,2,0,0,0,0|0,0,2]=4 4998 B12R0.353 CC=CCC(=O)C(C)C(=O)NCC 1458a_100121576822_100000230173 [0,2,0,0,0,0|1,0,1]=4 4999 B12R0.353 CC=CCC(=O)C(C)C(=O)OCC 1458a_100121576822_100011216346 [0,2,0,0,0,0|0,0,1]=3 5000 B12R0.353 CC=CCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000070051 [0,2,0,0,0,0|0,0,1]=3 5001 B12R0.353 CC=CCC(=O)C(F)C(=O)OCC 1458a_100121576822_100000760018 [0,2,0,0,0,0|0,0,1]=3 5002 B12R0.353 CCC#CC(=O)C(C)C(=O)NCC 1458a_100011827653_100000230173 [0,2,0,0,0,0|1,0,1]=4 5003 B12R0.353 CCC#CC(=O)C(C)C(=O)OCC 1458a_100011827653_100011216346 [0,2,0,0,0,0|0,0,1]=3 5004 B12R0.353 CCC#CC(=O)C(F)C(=O)OCC 1458a_100011827653_100000760018 [0,2,0,0,0,0|0,0,1]=3 5005 B12R0.353 CCC=CC(=O)C(C)C(=O)NCC 1458a_100000212282_100000230173 [0,2,0,0,0,0|1,0,1]=4 5006 B12R0.353 CCC=CC(=O)C(C)C(=O)OCC 1458a_100000212282_100011216346 [0,2,0,0,0,0|0,0,1]=3 5007 B12R0.353 CCC=CC(=O)C(F)C(=O)OCC 1458a_100000212282_100000760018 [0,2,0,0,0,0|0,0,1]=3 5008 B12R0.353 CCCCC(=O)C(C)C(=O)NCC 1458a_100000210183_100000230173 [0,2,0,0,0,0|1,0,0]=3 5009 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100000210183_100011216346 [0,2,0,0,0,0|0,0,0]=2 5010 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210211 [0,2,0,0,0,0|0,0,0]=2 5011 B12R0.353 CCCCC(=O)C(F)C(=O)OCC 1458a_100000210183_100000760018 [0,2,0,0,0,0|0,0,0]=2 5012 B12R0.353 CCCCN(C)C(C)C(=O)OCC 2230a_100000207549_100011215307 [0,2,0,0,0,0|2,0,0]=4 5013 B12R0.353 CCCCN(C)C(C)C(=O)OCC 269982a_100000207549_100011216346 [0,2,0,0,0,0|2,0,0]=4 5014 B12R0.353 CCCCN(C)C(F)C(=O)OCC 2230a_100000207549_100000760018 [0,2,0,0,0,0|2,0,0]=4 5015 B12R0.353 CCCCN(C)C(F)C(=O)OCC 269982a_100000207549_100000760018 [0,2,0,0,0,0|2,0,0]=4 5016 B12R0.353 CCCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000230305 [0,2,0,0,0,0|1,0,0]=3 5017 B12R0.353 CCCNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000230305 [0,2,0,0,0,0|2,0,0]=4 5018 B12R0.353 CCCNC(=O)C(C)C(=O)COC 1458a_100000210968_100000230305 [0,2,0,0,0,0|2,0,0]=4 5019 B12R0.353 CCCNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000230305 [0,2,0,0,0,0|2,0,0]=4 5020 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 11a_100020643023_100132301724 [0,2,0,0,0,0|0,0,0]=2 5021 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 1626a_100020643023_100132301724 [0,2,0,0,0,0|0,0,0]=2 5022 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 240690a_100020643023_100132301724 [0,2,0,0,0,0|0,0,0]=2 5023 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 527a_100020643023_100132301724 [0,2,0,0,0,0|0,0,0]=2 5024 B12R0.353 CCCOC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000760410 [0,2,0,0,0,0|1,0,1]=4 5025 B12R0.353 CCCOC(=O)C(C)C(=O)CCC 1458a_100000211992_100000760410 [0,2,0,0,0,0|0,0,0]=2 5026 B12R0.353 CCCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100000760410 [0,2,0,0,0,0|1,0,0]=3 5027 B12R0.353 CCCOC(=O)C(C)C(=O)COC 1458a_100000210968_100000760410 [0,2,0,0,0,0|1,0,0]=3 5028 B12R0.353 CCCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100000760410 [0,2,0,0,0,0|1,0,0]=3 5029 B12R0.353 CCCOC(=O)C(C)N(C)CCC 2230a_100000747261_100000760410 [0,2,0,0,0,0|2,0,0]=4 5030 B12R0.353 CCCOC(=O)C(C)N(C)CCC 269982a_100000747261_100000760410 [0,2,0,0,0,0|2,0,0]=4 5031 B12R0.353 CCNC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100000230173 [0,2,0,0,0,0|1,0,1]=4 5032 B12R0.353 CCNC(=O)C(C)C(=O)CCOC 1458a_100000749529_100000230173 [0,2,0,0,0,0|1,0,0]=3 5033 B12R0.353 CCNC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000230173 [0,2,0,0,0,0|1,0,0]=3 5034 B12R0.353 CCNC(=O)C(C)C(=O)COCC 1458a_100000211967_100000230173 [0,2,0,0,0,0|1,0,0]=3 5035 B12R0.353 CCNC(=O)C(C)C(=O)CSCC 1458a_100000230394_100000230173 [0,2,0,0,0,0|1,0,0]=3 5036 B12R0.353 CCNN=C(C)C(C)C(=O)OCC 4a_100000756455_100011215780 [0,2,0,0,0,0|2,0,0]=4 5037 B12R0.353 CCNN=C(C)C(F)C(=O)OCC 4a_100000756455_100011197482 [0,2,0,0,0,0|2,0,0]=4 5038 B12R0.353 CCNNC(=O)C(C)C(=O)OCC 22a_100000756455_100132301724 [0,2,0,0,0,0|1,0,0]=3 5039 B12R0.353 CCOC(=O)C(C)C(=O)C#CCO 1458a_100000049017_100011216346 [0,2,0,0,0,0|0,0,2]=4 5040 B12R0.353 CCOC(=O)C(C)C(=O)C=COC 1458a_100016268678_100011216346 [0,2,0,0,0,0|0,0,2]=4 5041 B12R0.353 CCOC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100011216346 [0,2,0,0,0,0|0,0,1]=3 5042 B12R0.353 CCOC(=O)C(C)C(=O)CCC#N 1458a_100132301724_100011215226 [0,2,0,0,0,0|0,0,1]=3 5043 B12R0.353 CCOC(=O)C(C)C(=O)CCCF 1458a_100132301724_100011934791 [0,2,0,0,0,0|0,0,0]=2 5044 B12R0.353 CCOC(=O)C(C)C(=O)CCCO 1458a_100132301724_100011215043 [0,2,0,0,0,0|0,0,0]=2 5045 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100000749529_100011216346 [0,2,0,0,0,0|0,0,0]=2 5046 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100132301724_100000233755 [0,2,0,0,0,0|0,0,0]=2 5047 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100000174002_100011216346 [0,2,0,0,0,0|0,0,0]=2 5048 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100132301724_100000751147 [0,2,0,0,0,0|0,0,0]=2 5049 B12R0.353 CCOC(=O)C(C)C(=O)CSCC 1458a_100000230394_100011216346 [0,2,0,0,0,0|0,0,0]=2 5050 B12R0.353 CCOC(=O)C(C)C(=O)NCC#N 1626a_100000734998_100132301724 [0,2,0,0,0,0|1,0,1]=4 5051 B12R0.353 CCOC(=O)C(C)C(=O)NCC#N 527a_100000734998_100132301724 [0,2,0,0,0,0|1,0,1]=4 5052 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 11a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 5053 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 1626a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 5054 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 240690a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 5055 B12R0.353 CCOC(=O)C(C)C(=O)NCCF 527a_100000724931_100132301724 [0,2,0,0,0,0|1,0,0]=3 5056 B12R0.353 CCOC(=O)C(C)C(=O)NCCO 240690a_100000210304_100132301724 [0,2,0,0,0,0|1,0,0]=3 5057 B12R0.353 CCOC(=O)C(C)C(=O)NCCO 527a_100000210304_100132301724 [0,2,0,0,0,0|1,0,0]=3 5058 B12R0.353 CCOC(=O)C(C)N(C)CCCO 2230a_100000213112_100011215307 [0,2,0,0,0,0|2,0,0]=4 5059 B12R0.353 CCOC(=O)C(C)N(C)CCCO 269982a_100000213112_100011216346 [0,2,0,0,0,0|2,0,0]=4 5060 B12R0.353 CCOC(=O)C(C)N(C)CCOC 2230a_100000743101_100011215307 [0,2,0,0,0,0|2,0,0]=4 5061 B12R0.353 CCOC(=O)C(C)N(C)CCOC 269982a_100000743101_100011216346 [0,2,0,0,0,0|2,0,0]=4 5062 B12R0.353 CCOC(=O)C(C)N(C)CCSC 2230a_100000686725_100011215307 [0,2,0,0,0,0|2,0,0]=4 5063 B12R0.353 CCOC(=O)C(C)N(C)CCSC 269982a_100000686725_100011216346 [0,2,0,0,0,0|2,0,0]=4 5064 B12R0.353 CCOC(=O)C(F)C(=O)C#CCO 1458a_100000049017_100000760018 [0,2,0,0,0,0|0,0,2]=4 5065 B12R0.353 CCOC(=O)C(F)C(=O)C=COC 1458a_100016268678_100000760018 [0,2,0,0,0,0|0,0,2]=4 5066 B12R0.353 CCOC(=O)C(F)C(=O)CCC#N 1458a_100011934036_100000760018 [0,2,0,0,0,0|0,0,1]=3 5067 B12R0.353 CCOC(=O)C(F)C(=O)CCOC 1458a_100000749529_100000760018 [0,2,0,0,0,0|0,0,0]=2 5068 B12R0.353 CCOC(=O)C(F)C(=O)CCSC 1458a_100000174002_100000760018 [0,2,0,0,0,0|0,0,0]=2 5069 B12R0.353 CCOC(=O)C(F)C(=O)CSCC 1458a_100000230394_100000760018 [0,2,0,0,0,0|0,0,0]=2 5070 B12R0.353 CCOC(=O)C(F)N(C)CCCO 2230a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 5071 B12R0.353 CCOC(=O)C(F)N(C)CCCO 269982a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 5072 B12R0.353 CCOC(=O)C(F)N(C)CCOC 2230a_100000743101_100000760018 [0,2,0,0,0,0|2,0,0]=4 5073 B12R0.353 CCOC(=O)C(F)N(C)CCOC 269982a_100000743101_100000760018 [0,2,0,0,0,0|2,0,0]=4 5074 B12R0.353 CCOC(=O)C(F)N(C)CCSC 2230a_100000686725_100000760018 [0,2,0,0,0,0|2,0,0]=4 5075 B12R0.353 CCOC(=O)C(F)N(C)CCSC 269982a_100000686725_100000760018 [0,2,0,0,0,0|2,0,0]=4 5076 B12R0.353 CCOCC(=O)C(C)C(=O)OCC 1458a_100000211967_100011216346 [0,2,0,0,0,0|0,0,0]=2 5077 B12R0.353 CCOCC(=O)C(F)C(=O)OCC 1458a_100000211967_100000760018 [0,2,0,0,0,0|0,0,0]=2 5078 B12R0.453 CCCCC(=O)C[Si](C)(C)OCC 1458a_100000210183_200000065227 [0,2,0,0,0,0|1,1,0]=4 5079 B12R0.453 CCCS(=O)(=O)NC(=O)COCC 2740a_100000171175_100000211967 [0,2,0,0,0,0|2,0,0]=4 5080 B12R0.453 CCOCC(=O)C[Si](C)(C)OCC 1458a_100000211967_200000065227 [0,2,0,0,0,0|1,1,0]=4 5081 B12R0.453 CCO[Si](C)(C)CC(=O)CCOC 1458a_100000749529_200000065227 [0,2,0,0,0,0|1,1,0]=4 5082 B12R0.453 CCO[Si](C)(C)CC(=O)CCSC 1458a_100000174002_200000065227 [0,2,0,0,0,0|1,1,0]=4 5083 B12R0.453 CCO[Si](C)(C)CC(=O)CSCC 1458a_100000230394_200000065227 [0,2,0,0,0,0|1,1,0]=4 5084 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000207695_100000188475 [0,2,0,0,0,0|2,0,0]=4 5085 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210211 [0,2,0,0,0,0|2,0,0]=4 5086 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000207695_100000188475 [0,2,0,0,0,0|2,0,0]=4 5087 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210211 [0,2,0,0,0,0|2,0,0]=4 5088 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [0,2,0,0,0,0|1,0,1]=4 5089 B12R0.607 CCNN=C(CC)CC(=O)OCC 4a_100000756455_100000758052 [0,2,0,0,0,0|2,0,0]=4 5090 B12R0.607 CCOC(=O)CN(CC)CCCF 2230a_100000220607_100011934791 [0,2,0,0,0,0|2,0,0]=4 5091 B12R0.607 CCOC(=O)CN(CC)CCCF 269982a_100000220607_100011934791 [0,2,0,0,0,0|2,0,0]=4 5092 B12R0.607 CCOC(=O)CN(CC)CCCO 2230a_100000220607_100000230001 [0,2,0,0,0,0|2,0,0]=4 5093 B12R0.607 CCOC(=O)CN(CC)CCCO 269982a_100000220607_100011215043 [0,2,0,0,0,0|2,0,0]=4 5094 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000220607_100011201679 [0,2,0,0,0,0|2,0,0]=4 5095 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000731262_100000188475 [0,2,0,0,0,0|2,0,0]=4 5096 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000220607_100000233755 [0,2,0,0,0,0|2,0,0]=4 5097 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000731262_100000188475 [0,2,0,0,0,0|2,0,0]=4 5098 B12R0.607 CCOC(=O)CN(CC)CCSC 2230a_100000220607_100000751147 [0,2,0,0,0,0|2,0,0]=4 5099 B12R0.607 CCOC(=O)CN(CC)CCSC 269982a_100000220607_100000212216 [0,2,0,0,0,0|2,0,0]=4 5100 B12R0.607 CCOCN(CC)CC(=O)OCC 269982a_100000220607_100000739092 [0,2,0,0,0,0|2,0,0]=4 5101 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 270084a_100020643023_100000738689 [0,2,0,0,0,0|1,0,0]=3 5102 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 274078a_100020643023_100000738689 [0,2,0,0,0,0|1,0,0]=3 5103 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [0,2,0,0,0,0|1,0,1]=4 5104 B12R0.661 CCOC(=O)CS(=O)(=O)NCCF 270084a_100000724931_100000738689 [0,2,0,0,0,0|2,0,0]=4 5105 B12R0.661 CCOC(=O)CS(=O)(=O)NCCF 274078a_100000724931_100000738689 [0,2,0,0,0,0|2,0,0]=4 5106 B12R0.661 CCOC(=O)CS(=O)(=O)NCCO 270084a_100000210304_100000738689 [0,2,0,0,0,0|2,0,0]=4 5107 B12R0.661 CCOC(=O)CS(=O)(=O)NCCO 274078a_100000210304_100000738689 [0,2,0,0,0,0|2,0,0]=4 5108 B12R0.8 C#CCC(=O)C(CC)C(=O)OCC 1458a_100011220946_100000212269 [0,2,0,0,0,0|0,0,2]=4 5109 B12R0.8 C#CCC(=O)C(SC)C(=O)OCC 1458a_100011220946_100009893047 [0,2,0,0,0,0|0,0,2]=4 5110 B12R0.8 C=CCC(=O)C(CC)C(=O)OCC 1458a_100000210193_100000212269 [0,2,0,0,0,0|0,0,2]=4 5111 B12R0.8 C=CCC(=O)C(SC)C(=O)OCC 1458a_100000210193_100009893047 [0,2,0,0,0,0|0,0,2]=4 5112 B12R0.8 CC#CC(=O)C(CC)C(=O)OCC 1458a_100000763181_100000212269 [0,2,0,0,0,0|0,0,2]=4 5113 B12R0.8 CC#CC(=O)C(SC)C(=O)OCC 1458a_100000763181_100009893047 [0,2,0,0,0,0|0,0,2]=4 5114 B12R0.8 CC=CC(=O)C(CC)C(=O)OCC 1458a_100000210699_100000212269 [0,2,0,0,0,0|0,0,2]=4 5115 B12R0.8 CC=CC(=O)C(SC)C(=O)OCC 1458a_100000210699_100009893047 [0,2,0,0,0,0|0,0,2]=4 5116 B12R0.8 CCCC(=O)C(CC)C(=O)OCC 1458a_100000211992_100000212269 [0,2,0,0,0,0|0,0,0]=2 5117 B12R0.8 CCCC(=O)C(SC)C(=O)OCC 1458a_100000211992_100009893047 [0,2,0,0,0,0|0,0,0]=2 5118 B12R0.8 CCCN(C)C(CC)C(=O)OCC 2230a_100000747261_100000212269 [0,2,0,0,0,0|2,0,0]=4 5119 B12R0.8 CCCN(C)C(CC)C(=O)OCC 269982a_100000747261_100000212269 [0,2,0,0,0,0|2,0,0]=4 5120 B12R0.8 CCCN(C)C(SC)C(=O)OCC 269982a_100000747261_100009893047 [0,2,0,0,0,0|2,0,0]=4 5121 B12R0.8 CCOC(=O)C(CC)C(=O)CC#N 1458a_100051588842_100000212269 [0,2,0,0,0,0|1,0,1]=4 5122 B12R0.8 CCOC(=O)C(CC)C(=O)CCO 1458a_100011216618_100000212269 [0,2,0,0,0,0|1,0,0]=3 5123 B12R0.8 CCOC(=O)C(CC)C(=O)COC 1458a_100000210968_100000212269 [0,2,0,0,0,0|1,0,0]=3 5124 B12R0.8 CCOC(=O)C(CC)C(=O)CSC 1458a_100000184570_100000212269 [0,2,0,0,0,0|1,0,0]=3 5125 B12R0.8 CCOC(=O)C(NC)C(=O)OCC 34a_100102657272_100000243710 [0,2,0,0,0,0|1,0,0]=3 5126 B12R0.8 CCOC(=O)C(OC)C(=O)OCC 34a_100138415774_100000243710 [0,2,0,0,0,0|1,0,0]=3 5127 B12R0.8 CCOC(=O)C(SC)C(=O)CC#N 1458a_100051588842_100009893047 [0,2,0,0,0,0|1,0,1]=4 5128 B12R0.8 CCOC(=O)C(SC)C(=O)CCO 1458a_100011216618_100009893047 [0,2,0,0,0,0|1,0,0]=3 5129 B12R0.8 CCOC(=O)C(SC)C(=O)COC 1458a_100000210968_100009893047 [0,2,0,0,0,0|1,0,0]=3 5130 B12R0.8 CCOC(=O)C(SC)C(=O)CSC 1458a_100000184570_100009893047 [0,2,0,0,0,0|1,0,0]=3 5131 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_100000243710_200000210301 [0,2,0,0,0,0|1,0,0]=3 5132 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_200000210301_100000243710 [0,2,0,0,0,0|1,0,0]=3 5133 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_100000243710_200025704644 [0,2,0,0,0,0|1,0,0]=3 5134 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_200025704644_100000243710 [0,2,0,0,0,0|1,0,0]=3 5135 B12R0.192 CCCN(CC)C(C)C(=O)OCC 2230a_100000226822_100011215307 [0,2,0,0,0,0|2,0,0]=4 5136 B12R0.192 CCCN(CC)C(C)C(=O)OCC 269982a_100000226822_100011216346 [0,2,0,0,0,0|2,0,0]=4 5137 B12R0.192 CCCN(CC)C(F)C(=O)OCC 2230a_100000226822_100000760018 [0,2,0,0,0,0|2,0,0]=4 5138 B12R0.192 CCCN(CC)C(F)C(=O)OCC 269982a_100000226822_100000760018 [0,2,0,0,0,0|2,0,0]=4 5139 B12R0.196 C#CC(C)C(=O)C(C)C(=O)OCC 1458a_100132301724_200000035995 [0,2,0,0,0,0|0,0,2]=4 5140 B12R0.196 C/C=C(\C)/C(=O)C(C)C(=O)OCC 1458a_100020587367_100011216346 [0,2,0,0,0,0|0,0,2]=4 5141 B12R0.196 C/C=C(\C)/C(=O)C(F)C(=O)OCC 1458a_100020587367_100000760018 [0,2,0,0,0,0|0,0,2]=4 5142 B12R0.196 C=CC(C)C(=O)C(C)C(=O)OCC 1458a_100011216780_100011216346 [0,2,0,0,0,0|0,0,2]=4 5143 B12R0.196 C=CC(C)C(=O)C(F)C(=O)OCC 1458a_100011216780_100000760018 [0,2,0,0,0,0|0,0,2]=4 5144 B12R0.196 CCCC(=O)C(C)C(=O)N(C)CC 1458a_100000211992_200012002205 [0,2,0,0,0,0|1,0,0]=3 5145 B12R0.196 CCN(C)C(=O)C(C)C(=O)CCO 1458a_100011216618_200012002205 [0,2,0,0,0,0|2,0,0]=4 5146 B12R0.196 CCN(C)C(=O)C(C)C(=O)COC 1458a_100000210968_200012002205 [0,2,0,0,0,0|2,0,0]=4 5147 B12R0.196 CCN(C)C(=O)C(C)C(=O)CSC 1458a_100000184570_200012002205 [0,2,0,0,0,0|2,0,0]=4 5148 B12R0.196 CCNC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100000230173 [0,2,0,0,0,0|1,0,0]=3 5149 B12R0.196 CCNC(=O)C(C)C(=O)C(C)OC 1458a_100000743197_100000230173 [0,2,0,0,0,0|2,0,0]=4 5150 B12R0.196 CCNC(=O)C(C)C(=O)C(C)SC 1458a_100000149566_100000230173 [0,2,0,0,0,0|2,0,0]=4 5151 B12R0.196 CCNC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100000230173 [0,2,0,0,0,0|1,0,0]=3 5152 B12R0.196 CCNC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100000230173 [0,2,0,0,0,0|2,0,0]=4 5153 B12R0.196 CCOC(=O)C(C)C(=O)C(=O)NC 1458a_100011218921_100011216346 [0,2,0,0,0,0|1,0,1]=4 5154 B12R0.196 CCOC(=O)C(C)C(=O)C(C)C#N 1458a_100000753662_100011216346 [0,2,0,0,0,0|1,0,1]=4 5155 B12R0.196 CCOC(=O)C(C)C(=O)C(C)C#N 1458a_100132301724_100000703298 [0,2,0,0,0,0|1,0,1]=4 5156 B12R0.196 CCOC(=O)C(C)C(=O)C(C)CC 1458a_100011192722_100011216346 [0,2,0,0,0,0|0,0,0]=2 5157 B12R0.196 CCOC(=O)C(C)C(=O)C(C)CC 1458a_100132301724_100000758301 [0,2,0,0,0,0|0,0,0]=2 5158 B12R0.196 CCOC(=O)C(C)C(=O)C(C)OC 1458a_100000743197_100011216346 [0,2,0,0,0,0|1,0,0]=3 5159 B12R0.196 CCOC(=O)C(C)C(=O)C(C)SC 1458a_100000149566_100011216346 [0,2,0,0,0,0|1,0,0]=3 5160 B12R0.196 CCOC(=O)C(C)C(=O)C(O)CC 1458a_100011196387_100011216346 [0,2,0,0,0,0|0,0,0]=2 5161 B12R0.196 CCOC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100011216346 [0,2,0,0,0,0|1,0,0]=3 5162 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 11a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 5163 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 1626a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 5164 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 240690a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 5165 B12R0.196 CCOC(=O)C(C)C(=O)N(C)CC 527a_100000225621_100132301724 [0,2,0,0,0,0|1,0,0]=3 5166 B12R0.196 CCOC(=O)C(C)N(C)C(C)CC 2230a_100000741768_100011215307 [0,2,0,0,0,0|2,0,0]=4 5167 B12R0.196 CCOC(=O)C(C)N(C)C(C)CC 269982a_100000741768_100011216346 [0,2,0,0,0,0|2,0,0]=4 5168 B12R0.196 CCOC(=O)C(F)C(=O)C(=O)NC 1458a_100011218921_100000760018 [0,2,0,0,0,0|1,0,1]=4 5169 B12R0.196 CCOC(=O)C(F)C(=O)C(C)C#N 1458a_100000753662_100000760018 [0,2,0,0,0,0|1,0,1]=4 5170 B12R0.196 CCOC(=O)C(F)C(=O)C(C)CC 1458a_100011192722_100000760018 [0,2,0,0,0,0|0,0,0]=2 5171 B12R0.196 CCOC(=O)C(F)C(=O)C(C)OC 1458a_100000743197_100000760018 [0,2,0,0,0,0|1,0,0]=3 5172 B12R0.196 CCOC(=O)C(F)C(=O)C(C)SC 1458a_100000149566_100000760018 [0,2,0,0,0,0|1,0,0]=3 5173 B12R0.196 CCOC(=O)C(F)C(=O)C(O)CC 1458a_100011196387_100000760018 [0,2,0,0,0,0|0,0,0]=2 5174 B12R0.196 CCOC(=O)C(F)C(=O)C(O)CO 1458a_100011215603_100000760018 [0,2,0,0,0,0|1,0,0]=3 5175 B12R0.196 CCOC(=O)C(F)N(C)C(C)CC 2230a_100000741768_100000760018 [0,2,0,0,0,0|2,0,0]=4 5176 B12R0.196 CCOC(=O)C(F)N(C)C(C)CC 269982a_100000741768_100000760018 [0,2,0,0,0,0|2,0,0]=4 5177 B12R0.731 C#CCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000184674 [0,2,0,0,0,0|0,0,2]=4 5178 B12R0.731 C#CCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000184674 [0,2,0,0,0,0|0,0,2]=4 5179 B12R0.731 C=CCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000210623 [0,2,0,0,0,0|0,0,2]=4 5180 B12R0.731 C=CCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000210623 [0,2,0,0,0,0|0,0,2]=4 5181 B12R0.731 CCCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000210303 [0,2,0,0,0,0|0,0,0]=2 5182 B12R0.731 CCCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000210303 [0,2,0,0,0,0|0,0,0]=2 5183 B12R0.731 CCCN(C)C(C)(C)C(=O)OCC 2230a_100000747261_100011216345 [0,2,0,0,0,0|2,0,0]=4 5184 B12R0.731 CCCN(C)C(C)(C)C(=O)OCC 269982a_100000747261_100048669870 [0,2,0,0,0,0|2,0,0]=4 5185 B12R0.731 CCCN(C)C(F)(F)C(=O)OCC 269982a_100000747261_100000210910 [0,2,0,0,0,0|2,0,0]=4 5186 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 11a_100015525214_100000694683 [0,2,0,0,0,0|1,0,0]=3 5187 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 240690a_100015525214_100000694683 [0,2,0,0,0,0|1,0,0]=3 5188 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 527a_100015525214_100000694683 [0,2,0,0,0,0|1,0,0]=3 5189 B12R0.731 CCNC(=O)C(C)(O)C(=O)OCC 240690a_100015525214_200009913003 [0,2,0,0,0,0|1,0,0]=3 5190 B12R0.731 CCOC(=O)C(C)(C)C(=O)CC#N 1458a_100000694683_100011214920 [0,2,0,0,0,0|1,0,1]=4 5191 B12R0.731 CCOC(=O)C(C)(C)C(=O)CCF 1458a_100000694683_100011217306 [0,2,0,0,0,0|1,0,0]=3 5192 B12R0.731 CCOC(=O)C(C)(C)C(=O)CCO 1458a_100000694683_100000211926 [0,2,0,0,0,0|1,0,0]=3 5193 B12R0.731 CCOC(=O)C(C)(C)C(=O)NNC 22a_100016993582_100000694683 [0,2,0,0,0,0|2,0,0]=4 5194 B12R0.731 CCOC(=O)C(C)(O)C(=O)CC#N 1458a_200009913003_100011214920 [0,2,0,0,0,0|1,0,1]=4 5195 B12R0.731 CCOC(=O)C(C)(O)C(=O)CCF 1458a_200009913003_100011217306 [0,2,0,0,0,0|1,0,0]=3 5196 B12R0.731 CCOC(=O)C(C)(O)C(=O)CCO 1458a_200009913003_100000211926 [0,2,0,0,0,0|1,0,0]=3 5197 B12R0.731 CCOC(=O)C(C)(O)C(=O)NNC 22a_100016993582_200009913003 [0,2,0,0,0,0|2,0,0]=4 5198 B12R0.15 CCOC(=O)CN(CC)C(C)CC 2230a_100000220607_100000758301 [0,2,0,0,0,0|2,0,0]=4 5199 B12R0.15 CCOC(=O)CN(CC)C(C)CC 2230a_100000732650_100000188475 [0,2,0,0,0,0|2,0,0]=4 5200 B12R0.15 CCOC(=O)CN(CC)C(C)CC 269982a_100000220607_100000758301 [0,2,0,0,0,0|2,0,0]=4 5201 B12R0.15 CCOC(=O)CN(CC)C(C)CC 269982a_100000732650_100000188475 [0,2,0,0,0,0|2,0,0]=4 5202 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 11a_100000221057_100015343762 [0,2,0,0,0,0|1,0,0]=3 5203 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 1626a_100000221057_100015343762 [0,2,0,0,0,0|1,0,0]=3 5204 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 240690a_100000221057_100015343762 [0,2,0,0,0,0|1,0,0]=3 5205 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 527a_100000221057_100103153847 [0,2,0,0,0,0|1,0,0]=3 5206 B12R0.19 CCCN(CC(=O)OCC)C(C)C 2230a_100000221057_100000210206 [0,2,0,0,0,0|2,0,0]=4 5207 B12R0.19 CCCN(CC(=O)OCC)C(C)C 2230a_100000717205_100000210303 [0,2,0,0,0,0|2,0,0]=4 5208 B12R0.19 CCCN(CC(=O)OCC)C(C)C 2230a_106256033942_100000188475 [0,2,0,0,0,0|2,0,0]=4 5209 B12R0.19 CCCN(CC(=O)OCC)C(C)C 269982a_100000221057_100000210206 [0,2,0,0,0,0|2,0,0]=4 5210 B12R0.19 CCCN(CC(=O)OCC)C(C)C 269982a_100000717205_100000210303 [0,2,0,0,0,0|2,0,0]=4 5211 B12R0.19 CCCN(CC(=O)OCC)C(C)C 269982a_106256033942_100000188475 [0,2,0,0,0,0|2,0,0]=4 5212 B12R0.22 C#CCN(CCC)CC(=O)OCC 2230a_100000221057_100000038162 [0,2,0,0,0,0|2,0,0]=4 5213 B12R0.22 C=CCN(CCC)CC(=O)OCC 2230a_100000221057_100000210623 [0,2,0,0,0,0|2,0,0]=4 5214 B12R0.22 C=CCN(CCC)CC(=O)OCC 269982a_100000221057_100000210623 [0,2,0,0,0,0|2,0,0]=4 5215 B12R0.22 CCCC(=O)CC(OCC)OCC 1458a_100000082722_100000210303 [0,2,0,0,0,0|0,0,2]=4 5216 B12R0.22 CCCC(=O)CC(OCC)OCC 1458a_100000211992_100000210512 [0,2,0,0,0,0|0,0,2]=4 5217 B12R0.22 CCCC(CC(=O)OCC)OCC 7a_100011216533_100000210202 [0,2,0,0,0,0|0,0,2]=4 5218 B12R0.22 CCCC(CC(=O)OCC)OCF 7a_100011216533_100015361967 [0,2,0,0,0,0|0,0,2]=4 5219 B12R0.22 CCCN(CC#N)CC(=O)OCC 2230a_100000221057_100011215382 [0,2,0,0,0,0|2,0,0]=4 5220 B12R0.22 CCCN(CC#N)CC(=O)OCC 269982a_100000221057_100011214920 [0,2,0,0,0,0|2,0,0]=4 5221 B12R0.22 CCCN(CC=O)CC(=O)OCC 2230a_100000221057_200015260668 [0,2,0,0,0,0|1,0,0]=3 5222 B12R0.22 CCCN(CC=O)CC(=O)OCC 269982a_100000221057_200015260668 [0,2,0,0,0,0|1,0,0]=3 5223 B12R0.22 CCCN(CCC)CC(=O)OCC 2230a_100000210455_100000188475 [0,2,0,0,0,0|2,0,0]=4 5224 B12R0.22 CCCN(CCC)CC(=O)OCC 2230a_100000221057_100000210303 [0,2,0,0,0,0|2,0,0]=4 5225 B12R0.22 CCCN(CCC)CC(=O)OCC 269982a_100000210455_100000188475 [0,2,0,0,0,0|2,0,0]=4 5226 B12R0.22 CCCN(CCC)CC(=O)OCC 269982a_100000221057_100000210303 [0,2,0,0,0,0|2,0,0]=4 5227 B12R0.22 CCCN(CCF)CC(=O)OCC 2230a_100000221057_100011217306 [0,2,0,0,0,0|2,0,0]=4 5228 B12R0.22 CCCN(CCF)CC(=O)OCC 269982a_100000221057_100011217306 [0,2,0,0,0,0|2,0,0]=4 5229 B12R0.22 CCCN(CCO)CC(=O)OCC 2230a_100000211420_100000188475 [0,2,0,0,0,0|1,0,1]=4 5230 B12R0.22 CCCN(CCO)CC(=O)OCC 2230a_100000221057_100000211926 [0,2,0,0,0,0|1,0,1]=4 5231 B12R0.22 CCCN(CCO)CC(=O)OCC 269982a_100000211420_100000188475 [0,2,0,0,0,0|1,0,1]=4 5232 B12R0.22 CCCN(CCO)CC(=O)OCC 269982a_100000221057_100000211926 [0,2,0,0,0,0|1,0,1]=4 5233 B12R0.22 CCCN(COC)CC(=O)OCC 2230a_100000221057_100000766300 [0,2,0,0,0,0|1,0,1]=4 5234 B12R0.22 CCCN(COC)CC(=O)OCC 269982a_100000221057_100000766300 [0,2,0,0,0,0|1,0,1]=4 5235 B12R0.22 CCCN(CSC)CC(=O)OCC 2230a_100000221057_100011218213 [0,2,0,0,0,0|1,1,0]=4 5236 B12R0.22 CCCN(CSC)CC(=O)OCC 269982a_100000221057_100011218213 [0,2,0,0,0,0|1,1,0]=4 5237 B12R0.71 C=C(CCC)CC(=O)C(CC)CC 1458a_100000138376_100000210505 [0,2,0,0,0,0|2,0,0]=4 5238 B12R0.71 C=C(CCC)CC(=O)N(CC)CC 11a_100000724800_100000138376 [0,2,0,0,0,0|2,0,0]=4 5239 B12R0.71 C=C(CCC)CC(=O)N(CC)CC 240690a_100000724800_100000138376 [0,2,0,0,0,0|2,0,0]=4 5240 B12R0.71 C=C(CCC)CC(=O)N(CC)CC 527a_100000724800_100000138376 [0,2,0,0,0,0|2,0,0]=4 5241 B12R0.71 C=COC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000036128 [0,2,0,0,0,0|0,0,2]=4 5242 B12R0.71 C=COC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000036128 [0,2,0,0,0,0|0,0,2]=4 5243 B12R0.71 CCC(CC)C(=O)CC(=O)NCO 1458a_100000211163_100000185155 [0,2,0,0,0,0|2,0,0]=4 5244 B12R0.71 CCC(OC)C(=O)CC(=O)NCO 1458a_100000747056_100000185155 [0,2,0,0,0,0|2,0,0]=4 5245 B12R0.71 CCCC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000747444 [0,2,0,0,0,0|1,0,0]=3 5246 B12R0.71 CCCC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000747444 [0,2,0,0,0,0|1,0,0]=3 5247 B12R0.71 CCCC(=O)CC(=O)C(OC)OC 1458a_100000046285_100000747444 [0,2,0,0,0,0|2,0,0]=4 5248 B12R0.71 CCCC(=O)CC(=O)N(CC)CC 1458a_100000211992_100000211521 [0,2,0,0,0,0|1,0,0]=3 5249 B12R0.71 CCCS(=O)CC(=O)C(CC)CC 1458a_100011387404_100000210505 [0,2,0,0,0,0|2,0,0]=4 5250 B12R0.71 CCCS(=O)CC(=O)N(CC)CC 11a_100000724800_100011387404 [0,2,0,0,0,0|2,0,0]=4 5251 B12R0.71 CCCS(=O)CC(=O)N(CC)CC 1626a_100000724800_100011387404 [0,2,0,0,0,0|2,0,0]=4 5252 B12R0.71 CCCS(=O)CC(=O)N(CC)CC 240690a_100000724800_100011387404 [0,2,0,0,0,0|2,0,0]=4 5253 B12R0.71 CCCS(=O)CC(=O)N(CC)CC 527a_100000724800_100011387404 [0,2,0,0,0,0|2,0,0]=4 5254 B12R0.71 CCN(CC)C(=O)CC(=O)CCO 1458a_100011216618_100000211521 [0,2,0,0,0,0|2,0,0]=4 5255 B12R0.71 CCN(CC)C(=O)CC(=O)COC 1458a_100000210968_100000211521 [0,2,0,0,0,0|2,0,0]=4 5256 B12R0.71 CCN(CC)C(=O)CC(=O)CSC 1458a_100000184570_100000211521 [0,2,0,0,0,0|2,0,0]=4 5257 B12R0.71 CCNC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000183381 [0,2,0,0,0,0|1,0,0]=3 5258 B12R0.71 CCNC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000183381 [0,2,0,0,0,0|1,0,0]=3 5259 B12R0.71 CCNC(=O)CC(=O)C(OC)OC 1458a_100000046285_100000183381 [0,2,0,0,0,0|2,0,0]=4 5260 B12R0.71 CCOC(=O)CC(=O)C(CC)CC 1458a_100000211163_100000188475 [0,2,0,0,0,0|0,0,0]=2 5261 B12R0.71 CCOC(=O)CC(=O)C(CC)CC 1458a_100000243816_100000210505 [0,2,0,0,0,0|0,0,0]=2 5262 B12R0.71 CCOC(=O)CC(=O)C(CC)OC 1458a_100000747056_100000188475 [0,2,0,0,0,0|0,0,0]=2 5263 B12R0.71 CCOC(=O)CC(=O)C(OC)OC 1458a_100000046285_100000188475 [0,2,0,0,0,0|1,0,0]=3 5264 B12R0.71 CCOC(=O)CC(=O)N(CC)CC 240690a_100000724800_100000243816 [0,2,0,0,0,0|1,0,0]=3 5265 B12R0.71 CCOC(=O)CN(C)C(CC)CC 2230a_100000737045_100000188475 [0,2,0,0,0,0|2,0,0]=4 5266 B12R0.71 CCOC(=O)CN(C)C(CC)CC 269982a_100000737045_100000188475 [0,2,0,0,0,0|2,0,0]=4 5267 B12R0.71 CCOC(=O)CN(C)C(CC)CC 270004a_100000220588_100000210860 [0,2,0,0,0,0|2,0,0]=4 5268 B12R0.313 C#CC(C)(C)C(=O)CC(=O)OCC 1458a_100000079900_100000188475 [0,2,0,0,0,0|0,0,2]=4 5269 B12R0.313 C#CC(C)(C)C(=O)CC(=O)OCC 1458a_100000243816_100000038118 [0,2,0,0,0,0|0,0,2]=4 5270 B12R0.313 C=CC(C)(C)C(=O)CC(=O)OCC 1458a_100012027013_100000188475 [0,2,0,0,0,0|0,0,2]=4 5271 B12R0.313 C=COC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000036128 [0,2,0,0,0,0|0,0,2]=4 5272 B12R0.313 C=COC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000036128 [0,2,0,0,0,0|0,0,2]=4 5273 B12R0.313 C=COC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000036128 [0,2,0,0,0,0|0,0,2]=4 5274 B12R0.313 CCC(C)(C)C(=O)CC(=O)NCO 1458a_100000749717_100000185155 [0,2,0,0,0,0|2,0,0]=4 5275 B12R0.313 CCC(C)(O)C(=O)CC(=O)NCO 1458a_100011219770_100000185155 [0,2,0,0,0,0|2,0,0]=4 5276 B12R0.313 CCC(F)(F)C(=O)CC(=O)NCO 1458a_100000061896_100000185155 [0,2,0,0,0,0|2,0,0]=4 5277 B12R0.313 CCCC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000747444 [0,2,0,0,0,0|1,0,0]=3 5278 B12R0.313 CCCC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000747444 [0,2,0,0,0,0|2,0,0]=4 5279 B12R0.313 CCCC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000747444 [0,2,0,0,0,0|2,0,0]=4 5280 B12R0.313 CCCC(=O)CC(=O)C(C)(C)OC 1458a_100000753492_100000747444 [0,2,0,0,0,0|2,0,0]=4 5281 B12R0.313 CCCC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000747444 [0,2,0,0,0,0|1,0,0]=3 5282 B12R0.313 CCCC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000747444 [0,2,0,0,0,0|1,0,0]=3 5283 B12R0.313 CCNC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000183381 [0,2,0,0,0,0|1,0,0]=3 5284 B12R0.313 CCNC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000183381 [0,2,0,0,0,0|2,0,0]=4 5285 B12R0.313 CCNC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000183381 [0,2,0,0,0,0|2,0,0]=4 5286 B12R0.313 CCNC(=O)CC(=O)C(C)(C)OC 1458a_100000753492_100000183381 [0,2,0,0,0,0|2,0,0]=4 5287 B12R0.313 CCNC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000183381 [0,2,0,0,0,0|1,0,0]=3 5288 B12R0.313 CCNC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000183381 [0,2,0,0,0,0|1,0,0]=3 5289 B12R0.313 CCOC(=O)CC(=O)C(C)(C)C#N 1458a_100000740761_100000188475 [0,2,0,0,0,0|1,0,1]=4 5290 B12R0.313 CCOC(=O)CC(=O)C(C)(C)CC 1458a_100000749717_100000188475 [0,2,0,0,0,0|0,0,0]=2 5291 B12R0.313 CCOC(=O)CC(=O)C(C)(C)CF 1458a_100000138116_100000188475 [0,2,0,0,0,0|1,0,0]=3 5292 B12R0.313 CCOC(=O)CC(=O)C(C)(C)CO 1458a_100000749806_100000188475 [0,2,0,0,0,0|1,0,0]=3 5293 B12R0.313 CCOC(=O)CC(=O)C(C)(C)OC 1458a_100000753492_100000188475 [0,2,0,0,0,0|1,0,0]=3 5294 B12R0.313 CCOC(=O)CC(=O)C(C)(O)CC 1458a_100011219770_100000188475 [0,2,0,0,0,0|0,0,0]=2 5295 B12R0.313 CCOC(=O)CC(=O)C(F)(F)CC 1458a_100000061896_100000188475 [0,2,0,0,0,0|0,0,0]=2 5296 B12R0.313 CCOC(=O)CN(C)C(C)(C)CC 2230a_200000755171_100000188475 [0,2,0,0,0,0|2,0,0]=4 5297 B12R0.313 CCOC(=O)CN(C)C(C)(C)CC 269982a_200000755171_100000188475 [0,2,0,0,0,0|2,0,0]=4 5298 B12R0.430 CCO[Si](C)(C)CC(=O)C(C)CC 1458a_100011192722_200000065227 [0,2,0,0,0,0|1,1,0]=4 5299 B12R0.430 CCO[Si](C)(C)CC(=O)C(O)CC 1458a_100011196387_200000065227 [0,2,0,0,0,0|1,1,0]=4 5300 B12R0.570 CCC(C)C(=O)CC(=O)N(C)CC 1458a_100011192722_100011894763 [0,2,0,0,0,0|1,0,0]=3 5301 B12R0.570 CCC(C)C(=O)CC(=O)N(C)OC 1458a_100011192722_100000764215 [0,2,0,0,0,0|2,0,0]=4 5302 B12R0.570 CCC(O)C(=O)CC(=O)N(C)CC 1458a_100011196387_100011894763 [0,2,0,0,0,0|1,0,0]=3 5303 B12R0.570 CCC(O)C(=O)CC(=O)N(C)OC 1458a_100011196387_100000764215 [0,2,0,0,0,0|2,0,0]=4 5304 B12R0.570 CCN(C)C(=O)CC(=O)C(C)OC 1458a_100000743197_100011894763 [0,2,0,0,0,0|2,0,0]=4 5305 B12R0.570 CCN(C)C(=O)CC(=O)C(C)SC 1458a_100000149566_100011894763 [0,2,0,0,0,0|2,0,0]=4 5306 B12R0.570 CCN(C)C(=O)CC(=O)C(O)CO 1458a_100011215603_100011894763 [0,2,0,0,0,0|2,0,0]=4 5307 B12R0.746 CCOC(=O)CS(=O)(=O)N(C)CC 270084a_100000225621_100000738689 [0,2,0,0,0,0|2,0,0]=4 5308 B12R0.746 CCOC(=O)CS(=O)(=O)N(C)CC 274078a_100000225621_100000738689 [0,2,0,0,0,0|2,0,0]=4 5309 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 5310 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,0]=3 5311 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|0,0,1]=3 5312 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|1,0,1]=4 5313 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [1,0,0,1,0,0|2,0,0]=4 5314 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [1,0,0,1,0,0|2,0,0]=4 5315 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [1,0,0,1,0,0|1,0,1]=4 5316 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [1,0,0,1,0,0|2,0,0]=4 5317 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [1,0,0,1,0,0|2,0,0]=4 5318 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [1,0,0,1,0,0|1,0,1]=4 5319 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [1,0,0,1,0,0|0,0,1]=3 5320 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|1,0,1]=4 5321 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|1,0,1]=4 5322 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|2,0,0]=4 5323 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|0,0,1]=3 5324 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|0,0,1]=3 5325 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|2,0,0]=4 5326 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [1,0,0,1,0,0|1,0,1]=4 5327 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [1,0,0,1,0,0|1,0,1]=4 5328 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [1,0,0,1,0,0|1,0,1]=4 5329 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|1,0,1]=4 5330 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|1,0,1]=4 5331 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|1,0,1]=4 5332 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 5333 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 5334 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 5335 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [1,0,0,1,0,0|1,0,1]=4 5336 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [1,0,0,1,0,0|1,0,1]=4 5337 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [1,0,0,1,0,0|1,0,1]=4 5338 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 5339 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 5340 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 5341 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [1,0,0,1,0,0|1,0,1]=4 5342 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [1,0,0,1,0,0|1,0,1]=4 5343 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [1,0,0,1,0,0|1,0,1]=4 5344 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [1,0,0,1,0,0|1,0,1]=4 5345 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [1,0,0,1,0,0|1,0,1]=4 5346 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [1,0,0,1,0,0|1,0,1]=4 5347 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [1,0,0,1,0,0|1,0,1]=4 5348 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 5349 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 5350 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|2,0,0]=4 5351 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|2,0,0]=4 5352 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|1,0,0]=3 5353 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 5354 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|2,0,0]=4 5355 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|2,0,0]=4 5356 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|1,0,0]=3 5357 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|1,0,0]=3 5358 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|1,0,1]=4 5359 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [1,0,0,1,0,0|2,0,0]=4 5360 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [1,0,0,1,0,0|2,0,0]=4 5361 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [1,0,0,1,0,0|2,0,0]=4 5362 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [1,0,0,1,0,0|2,0,0]=4 5363 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [1,0,0,1,0,0|2,0,0]=4 5364 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [1,0,0,1,0,0|2,0,0]=4 5365 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [1,0,0,1,0,0|2,0,0]=4 5366 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [1,0,0,1,0,0|2,0,0]=4 5367 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 5368 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [1,0,0,1,0,0|2,0,0]=4 5369 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [1,0,0,1,0,0|2,0,0]=4 5370 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [1,0,0,1,0,0|2,0,0]=4 5371 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 5372 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|1,0,1]=4 5373 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|1,0,1]=4 5374 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|1,0,1]=4 5375 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|1,0,1]=4 5376 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [1,0,0,1,0,0|1,0,1]=4 5377 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|1,0,1]=4 5378 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|1,0,1]=4 5379 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|0,0,1]=3 5380 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [1,0,0,1,0,0|2,0,0]=4 5381 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [1,0,0,1,0,0|1,0,1]=4 5382 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [1,0,0,1,0,0|1,0,1]=4 5383 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|1,0,1]=4 5384 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|1,0,1]=4 5385 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|1,0,1]=4 5386 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [1,0,0,1,0,0|2,0,0]=4 5387 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,1,0,0|1,0,0]=3 5388 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [1,0,0,1,0,0|1,0,1]=4 5389 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [1,0,0,1,0,0|1,0,1]=4 5390 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [1,0,0,1,0,0|1,0,1]=4 5391 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [1,0,0,1,0,0|1,0,1]=4 5392 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|1,0,1]=4 5393 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|1,0,1]=4 5394 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [1,0,0,1,0,0|2,0,0]=4 5395 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [1,0,0,1,0,0|1,0,1]=4 5396 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [1,0,0,1,0,0|1,0,1]=4 5397 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|1,0,1]=4 5398 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|1,0,1]=4 5399 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|1,0,1]=4 5400 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [1,0,0,1,0,0|2,0,0]=4 5401 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [1,0,0,1,0,0|2,0,0]=4 5402 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [1,0,0,1,0,0|1,0,0]=3 5403 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [1,0,0,1,0,0|1,0,0]=3 5404 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [1,0,0,1,0,0|1,0,0]=3 5405 B10R1.186 CC/C=C\CC(=O)C1CO1 1458a_100000701028_100103147603 [1,0,0,1,0,0|2,0,0]=4 5406 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [1,0,0,1,0,0|1,0,1]=4 5407 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|1,0,1]=4 5408 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,0,0,1,0,0|2,0,0]=4 5409 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,0,0,1,0,0|2,0,0]=4 5410 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [1,0,0,1,0,0|2,0,0]=4 5411 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [1,0,0,1,0,0|2,0,0]=4 5412 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|0,0,1]=3 5413 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [1,0,0,1,0,0|1,0,1]=4 5414 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [1,0,0,1,0,0|1,0,1]=4 5415 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [1,0,0,1,0,0|0,1,1]=4 5416 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [1,0,0,1,0,0|1,0,1]=4 5417 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [1,0,0,1,0,0|1,0,0]=3 5418 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|1,0,1]=4 5419 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|1,0,1]=4 5420 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|0,0,2]=4 5421 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [1,0,0,1,0,0|0,0,2]=4 5422 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [1,0,0,1,0,0|2,0,0]=4 5423 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [1,0,0,1,0,0|2,0,0]=4 5424 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [1,0,0,1,0,0|2,0,0]=4 5425 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [1,0,0,1,0,0|2,0,0]=4 5426 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [1,0,0,1,0,0|2,0,0]=4 5427 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [1,0,0,1,0,0|2,0,0]=4 5428 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [1,0,0,1,0,0|2,0,0]=4 5429 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [1,0,0,1,0,0|2,0,0]=4 5430 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [1,0,0,1,0,0|2,0,0]=4 5431 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [1,0,0,1,0,0|2,0,0]=4 5432 B10R1.134 C#CC(=O)CC(=O)C1CC1 1458a_100000211873_100000746382 [1,0,0,1,0,0|0,0,2]=4 5433 B10R1.134 C=CC(=O)CC(=O)C1CC1 1458a_100000185746_100000746382 [1,0,0,1,0,0|0,0,2]=4 5434 B10R1.134 CCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210202 [1,0,0,1,0,0|1,0,1]=4 5435 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [1,0,0,1,0,0|0,0,0]=2 5436 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [1,0,0,1,0,0|0,0,0]=2 5437 B10R1.134 CCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747405 [1,0,0,1,0,0|1,0,0]=3 5438 B10R1.134 CCC(=O)CN(C)C1CC1 269982a_100000226674_100000747405 [1,0,0,1,0,0|2,0,0]=4 5439 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [1,0,0,1,0,0|1,0,1]=4 5440 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [1,0,0,1,0,0|0,0,2]=4 5441 B10R1.134 CCN(C)CC(=O)C1CC1 2230a_100000225621_100000746382 [1,0,0,1,0,0|2,0,0]=4 5442 B10R1.134 CCN(C)CC(=O)C1CC1 269982a_100000225621_100000746382 [1,0,0,1,0,0|2,0,0]=4 5443 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [1,0,0,1,0,0|1,0,1]=4 5444 B10R1.134 CNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183359 [1,0,0,1,0,0|1,0,0]=3 5445 B10R1.134 CNC(=O)CC(=O)C1CO1 1458a_100000701028_100000183359 [1,0,0,1,0,0|2,0,0]=4 5446 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [1,0,0,1,0,0|0,0,0]=2 5447 B10R1.134 COC(=O)CC(=O)C1CO1 1458a_100000701028_100000747449 [1,0,0,1,0,0|1,0,0]=3 5448 B10R1.134 COC(=O)CN(C)C1CC1 2230a_100000226674_100000747449 [1,0,0,1,0,0|2,0,0]=4 5449 B10R1.134 COC(=O)CN(C)C1CC1 269982a_100000226674_100000747449 [1,0,0,1,0,0|2,0,0]=4 5450 B10R1.134 O=C(CO)CC(=O)C1CC1 1458a_100000210174_100000746382 [1,0,0,1,0,0|1,0,0]=3 5451 B10R1.149 C#CC(=O)C1CCCC1=O 1458a_100000211873_100000211823 [1,0,0,1,0,0|0,0,2]=4 5452 B10R1.149 C#CC(=O)C1CCOC1=O 1458a_100000211873_100000211211 [1,0,0,1,0,0|0,0,2]=4 5453 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [1,0,0,1,0,0|0,0,2]=4 5454 B10R1.149 C=CC(=O)C1CCOC1=O 1458a_100000185746_100000211211 [1,0,0,1,0,0|0,0,2]=4 5455 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [1,0,0,1,0,0|0,0,0]=2 5456 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|1,0,1]=4 5457 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [1,0,0,1,0,0|0,0,0]=2 5458 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,0,0,1,0,0|2,0,0]=4 5459 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [1,0,0,1,0,0|2,0,0]=4 5460 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [1,0,0,1,0,0|2,0,0]=4 5461 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [1,0,0,1,0,0|2,0,0]=4 5462 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [1,0,0,1,0,0|2,0,0]=4 5463 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,0,0,1,0,0|2,0,0]=4 5464 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,0,0,1,0,0|2,0,0]=4 5465 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,0,0,1,0,0|2,0,0]=4 5466 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,0,0,1,0,0|2,0,0]=4 5467 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [1,0,0,1,0,0|1,0,0]=3 5468 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [1,0,0,1,0,0|1,0,0]=3 5469 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [1,0,0,1,0,0|2,0,0]=4 5470 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [1,0,0,1,0,0|2,0,0]=4 5471 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [1,0,0,1,0,0|2,0,0]=4 5472 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [1,0,0,1,0,0|2,0,0]=4 5473 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [1,0,0,1,0,0|1,0,1]=4 5474 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [1,0,0,1,0,0|1,0,1]=4 5475 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [1,0,0,1,0,0|1,0,1]=4 5476 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,1,0|1,0,1]=4 5477 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,1,0|1,0,1]=4 5478 B12R1.17 C#CCC(=O)N1CCOC(=O)C1 527a_100000131268_100011220946 [0,0,0,1,0,1|0,0,2]=4 5479 B12R1.17 C=CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210193 [0,0,0,1,0,1|0,0,2]=4 5480 B12R1.17 C=CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210193 [0,0,0,1,0,1|0,0,2]=4 5481 B12R1.17 C=CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210193 [0,0,0,1,0,1|0,0,2]=4 5482 B12R1.17 CC=CC(=O)N1CCOC(=O)C1 11a_100000131268_100000210699 [0,0,0,1,0,1|0,0,2]=4 5483 B12R1.17 CC=CC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210699 [0,0,0,1,0,1|0,0,2]=4 5484 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,0,0,1,0,1|1,0,0]=3 5485 B12R1.17 CCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210303 [0,0,0,1,0,1|2,0,0]=4 5486 B12R1.17 CCCC(=O)N1CCC=C(C1)C 11a_100000725631_100000211992 [0,0,0,1,0,1|2,0,0]=4 5487 B12R1.17 CCCC(=O)N1CCC=C(C1)C 1626a_100000725631_100000211992 [0,0,0,1,0,1|2,0,0]=4 5488 B12R1.17 CCCC(=O)N1CCC=C(C1)C 240690a_100000725631_100000211992 [0,0,0,1,0,1|2,0,0]=4 5489 B12R1.17 CCCC(=O)N1CCC=C(C1)C 527a_100000725631_100000211992 [0,0,0,1,0,1|2,0,0]=4 5490 B12R1.17 CCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000211992 [0,0,0,1,0,1|1,0,0]=3 5491 B12R1.17 CCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000211992 [0,0,0,1,0,1|1,0,0]=3 5492 B12R1.17 CCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000211992 [0,0,0,1,0,1|1,0,0]=3 5493 B12R1.17 CCCC(=O)N1CCNC(=O)C1 527a_100000184651_100000211992 [0,0,0,1,0,1|1,0,0]=3 5494 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,0,0,1,0,1|0,0,0]=2 5495 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,0,0,1,0,1|0,0,0]=2 5496 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,0,0,1,0,1|0,0,0]=2 5497 B12R1.17 CCCC(=O)N1CCOC(C1)C 11a_100000729577_100000211992 [0,0,0,1,0,1|1,0,1]=4 5498 B12R1.17 CCCC(=O)N1CCOC(C1)C 1626a_100000729577_100000211992 [0,0,0,1,0,1|1,0,1]=4 5499 B12R1.17 CCCC(=O)N1CCOC(C1)C 240690a_100000729577_100000211992 [0,0,0,1,0,1|1,0,1]=4 5500 B12R1.17 CCCC(=O)N1CCOC(C1)C 527a_100000729577_100000211992 [0,0,0,1,0,1|1,0,1]=4 5501 B12R1.17 CCCC(=O)N1CCOC(C1)O 11a_100000688207_100000211992 [0,0,0,1,0,1|0,0,2]=4 5502 B12R1.17 CCCC(=O)N1CCOC(C1)O 240690a_100000688207_100000211992 [0,0,0,1,0,1|0,0,2]=4 5503 B12R1.17 CCCC(=O)N1CCOC(C1)O 527a_100000688207_100000211992 [0,0,0,1,0,1|0,0,2]=4 5504 B12R1.17 CCCC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_100000210303 [0,0,0,1,0,1|2,0,0]=4 5505 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,0,0,1,0,1|1,0,0]=3 5506 B12R1.17 CCCC(C)N1CCOC(=O)C1 2230a_100000131268_100000766640 [0,0,0,1,0,1|1,0,1]=4 5507 B12R1.17 CCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211909 [0,0,0,1,0,1|1,0,1]=4 5508 B12R1.17 CCNC(=O)C1CCNC(=O)C1 11a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 5509 B12R1.17 CCNC(=O)C1CCNC(=O)C1 240690a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 5510 B12R1.17 CCNC(=O)C1CCNC(=O)C1 527a_100015525214_100000132800 [0,0,0,1,0,1|2,0,0]=4 5511 B12R1.17 CCNC(=O)C1CSCC(=O)N1 240690a_100015525214_100000045068 [0,0,0,1,0,1|2,0,0]=4 5512 B12R1.17 CCNC(=O)C1CSCC(=O)N1 527a_100015525214_100000045068 [0,0,0,1,0,1|2,0,0]=4 5513 B12R1.17 CCNC(=O)N1CCNC(=O)C1 2708a_100015525214_100000184651 [0,0,0,1,0,1|2,0,0]=4 5514 B12R1.17 CCNC(=O)N1CCNC(=O)C1 273464a_100015525214_100000184651 [0,0,0,1,0,1|2,0,0]=4 5515 B12R1.17 CCNC(=O)N1CCOC(=O)C1 2708a_100015525214_100000131268 [0,0,0,1,0,1|1,0,0]=3 5516 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 240690a_100015525214_100000705292 [0,0,0,1,0,1|1,0,0]=3 5517 B12R1.17 CCNC(=O)[C@H]1CCCC(=O)N1 527a_100015525214_100000705292 [0,0,0,1,0,1|1,0,0]=3 5518 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 2230a_100000759086_200000210301 [0,0,0,1,0,1|2,0,0]=4 5519 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 269982a_100000759086_200000210301 [0,0,0,1,0,1|2,0,0]=4 5520 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100000759086_200025704644 [0,0,0,1,0,1|2,0,0]=4 5521 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100000759086_200025704644 [0,0,0,1,0,1|2,0,0]=4 5522 B12R1.17 CNCC(=O)N1CCNC(=O)C1 2230a_106832991635_100000230162 [0,0,0,1,0,1|2,0,0]=4 5523 B12R1.17 CNCC(=O)N1CCNC(=O)C1 7a_106832991635_100000230162 [0,0,0,1,0,1|2,0,0]=4 5524 B12R1.17 CNNC(=O)[C@H]1CCCC(=O)N1 22a_100016993582_100000705292 [0,0,0,1,0,1|2,0,0]=4 5525 B12R1.17 COCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210968 [0,0,0,1,0,1|2,0,0]=4 5526 B12R1.17 COCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210968 [0,0,0,1,0,1|2,0,0]=4 5527 B12R1.17 COCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210968 [0,0,0,1,0,1|2,0,0]=4 5528 B12R1.17 COCC(=O)N1CCNC(=O)C1 527a_100000184651_100000210968 [0,0,0,1,0,1|2,0,0]=4 5529 B12R1.17 COCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210968 [0,0,0,1,0,1|1,0,0]=3 5530 B12R1.17 COCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210968 [0,0,0,1,0,1|1,0,0]=3 5531 B12R1.17 COCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210968 [0,0,0,1,0,1|1,0,0]=3 5532 B12R1.17 CSCC(=O)N1CCNC(=O)C1 11a_100000184651_100000184570 [0,0,0,1,0,1|2,0,0]=4 5533 B12R1.17 CSCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000184570 [0,0,0,1,0,1|2,0,0]=4 5534 B12R1.17 CSCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000184570 [0,0,0,1,0,1|2,0,0]=4 5535 B12R1.17 CSCC(=O)N1CCNC(=O)C1 527a_100000184651_100000184570 [0,0,0,1,0,1|2,0,0]=4 5536 B12R1.17 CSCC(=O)N1CCNC(=O)C1 62a_100000230162_200000210301 [0,0,0,1,0,1|2,0,0]=4 5537 B12R1.17 CSCC(=O)N1CCOC(=O)C1 11a_100000131268_100000184570 [0,0,0,1,0,1|1,0,0]=3 5538 B12R1.17 CSCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000184570 [0,0,0,1,0,1|1,0,0]=3 5539 B12R1.17 CSCC(=O)N1CCOC(=O)C1 527a_100000131268_100000184570 [0,0,0,1,0,1|1,0,0]=3 5540 B12R1.17 N#CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100051588842 [0,0,0,1,0,1|1,0,1]=4 5541 B12R1.17 O=C1CC(CCN1)C(=O)CCF 1458a_100000132800_100011217306 [0,0,0,1,0,1|2,0,0]=4 5542 B12R1.17 O=C1CC(CCN1)C(=O)CCO 1458a_100000132800_100000211926 [0,0,0,1,0,1|2,0,0]=4 5543 B12R1.17 O=C1CCC[C@@H](N1)C(=O)CCF 1458a_100000705292_100011217306 [0,0,0,1,0,1|2,0,0]=4 5544 B12R1.17 O=C1CCC[C@@H](N1)C(=O)CCO 1458a_100000705292_100000211926 [0,0,0,1,0,1|2,0,0]=4 5545 B12R1.17 O=C1CN(CCN1)C(=O)CCO 240690a_100000184651_100011216618 [0,0,0,1,0,1|2,0,0]=4 5546 B12R1.17 O=C1CN(CCO1)C(=O)CCO 240690a_100000131268_100011216618 [0,0,0,1,0,1|1,0,0]=3 5547 B12R1.17 [13CH3]SCC(=O)N1CCNC(=O)C1 62a_100000230162_200025704644 [0,0,0,1,0,1|2,0,0]=4 5548 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,0,0,1,0,1|1,0,1]=4 5549 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,0,0,1,0,1|0,0,2]=4 5550 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,0,0,1,0,1|0,0,2]=4 5551 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,0,0,1,0,1|2,0,0]=4 5552 B12R1.51 CCCC(=O)CNC1=NCCC1 1458a_100000118783_100000210303 [0,0,0,1,0,1|2,0,0]=4 5553 B12R1.51 CCCC(=O)NCC1OCCO1 11a_100000036311_100000211992 [0,0,0,1,0,1|0,0,2]=4 5554 B12R1.51 CCCC(=O)NCC1OCCO1 1626a_100000036311_100000211992 [0,0,0,1,0,1|0,0,2]=4 5555 B12R1.51 CCCC(=O)NCC1OCCO1 527a_100000036311_100000211992 [0,0,0,1,0,1|0,0,2]=4 5556 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,0,0,1,0,1|1,0,1]=4 5557 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,0,0,1,0,1|1,0,1]=4 5558 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,0,0,1,0,1|1,0,1]=4 5559 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,0,0,1,0,1|1,0,1]=4 5560 B12R1.51 CCNC(=O)CNC1=NCCC1 240690a_100015525214_100000118783 [0,0,0,1,0,1|2,0,0]=4 5561 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,0,0,1,0,1|2,0,0]=4 5562 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,0,0,1,0,1|2,0,0]=4 5563 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,0,0,1,0,1|1,0,1]=4 5564 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,0,0,1,0,1|1,0,1]=4 5565 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,0,0,1,0,1|1,0,1]=4 5566 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,0,0,1,0,1|1,0,1]=4 5567 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,0,0,1,0,1|0,0,2]=4 5568 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,0,0,1,0,1|1,0,1]=4 5569 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,0,0,1,0,1|1,0,1]=4 5570 B12R1.178 CCCC(=O)N1CC(C1)OCC 11a_100000732654_100000211992 [0,0,0,1,0,1|1,0,1]=4 5571 B12R1.178 CCCC(=O)N1CC(C1)OCC 1626a_100000732654_100000211992 [0,0,0,1,0,1|1,0,1]=4 5572 B12R1.178 CCCC(=O)N1CC(C1)OCC 240690a_100000732654_100000211992 [0,0,0,1,0,1|1,0,1]=4 5573 B12R1.178 CCCC(=O)N1CC(C1)OCC 527a_100000732654_100000211992 [0,0,0,1,0,1|1,0,1]=4 5574 B12R1.178 CCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210303 [0,0,0,1,0,1|2,0,0]=4 5575 B12R1.318 C#CCC(=O)CN1CCOC1=O 1458a_100011227918_100000184674 [0,0,0,1,0,1|0,0,2]=4 5576 B12R1.318 C=CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210623 [0,0,0,1,0,1|0,0,2]=4 5577 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [0,0,0,1,0,1|1,0,0]=3 5578 B12R1.318 CCCC(=O)CN1CCN=C1N 1458a_100000032790_100000210303 [0,0,0,1,0,1|2,0,0]=4 5579 B12R1.318 CCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210303 [0,0,0,1,0,1|0,0,0]=2 5580 B12R1.318 CCCC(=O)CN1CSCC1=O 1458a_100000008433_100000210303 [0,0,0,1,0,1|2,0,0]=4 5581 B12R1.318 CCCC(=O)NC1CCNC1=O 11a_100016995588_100000211992 [0,0,0,1,0,1|1,0,0]=3 5582 B12R1.318 CCCC(=O)NC1CCNC1=O 1626a_100016995588_100000211992 [0,0,0,1,0,1|1,0,0]=3 5583 B12R1.318 CCCC(=O)NC1CCNC1=O 240690a_100016995588_100000211992 [0,0,0,1,0,1|1,0,0]=3 5584 B12R1.318 CCCC(=O)NC1CCNC1=O 527a_100016995588_100000211992 [0,0,0,1,0,1|1,0,0]=3 5585 B12R1.318 CCCC(=O)NC1CCSC1=O 11a_100000184058_100000211992 [0,0,0,1,0,1|0,1,0]=3 5586 B12R1.318 CCCC(=O)NC1CCSC1=O 1626a_100000184058_100000211992 [0,0,0,1,0,1|0,1,0]=3 5587 B12R1.318 CCCC(=O)NC1CCSC1=O 240690a_100000184058_100000211992 [0,0,0,1,0,1|0,1,0]=3 5588 B12R1.318 CCCC(=O)NC1CCSC1=O 527a_100000184058_100000211992 [0,0,0,1,0,1|0,1,0]=3 5589 B12R1.318 CCCC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000211992 [0,0,0,1,0,1|2,0,0]=4 5590 B12R1.318 CCCC(C)NC1CCOC1=O 2230a_100000741246_100000211211 [0,0,0,1,0,1|1,0,1]=4 5591 B12R1.318 CCCC(C)OC1CCOC1=O 34a_100000764384_100000211211 [0,0,0,1,0,1|1,0,1]=4 5592 B12R1.318 CCCC(C)OC1CCOC1=O 7a_100000764384_100000211211 [0,0,0,1,0,1|1,0,1]=4 5593 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000211211_100000766640 [0,0,0,1,0,1|1,0,1]=4 5594 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000766640_100000211211 [0,0,0,1,0,1|1,0,1]=4 5595 B12R1.318 CCNC(=O)CN1CCCC1=O 11a_100015525214_100000189602 [0,0,0,1,0,1|1,0,0]=3 5596 B12R1.318 CCNC(=O)CN1CCCC1=O 240690a_100015525214_100000189602 [0,0,0,1,0,1|1,0,0]=3 5597 B12R1.318 CCNC(=O)CN1CCCC1=O 527a_100015525214_100000189602 [0,0,0,1,0,1|1,0,0]=3 5598 B12R1.318 CCNC(=O)CN1CCOC1=O 11a_100015525214_100011227918 [0,0,0,1,0,1|1,0,0]=3 5599 B12R1.318 CCNC(=O)CN1CCOC1=O 240690a_100015525214_100011227918 [0,0,0,1,0,1|1,0,0]=3 5600 B12R1.318 CCNC(=O)CN1CCOC1=O 527a_100015525214_100011227918 [0,0,0,1,0,1|1,0,0]=3 5601 B12R1.318 CCNC(=O)CN1CSCC1=O 11a_100015525214_100000008433 [0,0,0,1,0,1|2,0,0]=4 5602 B12R1.318 CCNC(=O)CN1CSCC1=O 240690a_100015525214_100000008433 [0,0,0,1,0,1|2,0,0]=4 5603 B12R1.318 CCNC(=O)CN1CSCC1=O 527a_100015525214_100000008433 [0,0,0,1,0,1|2,0,0]=4 5604 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100015525214_100016995588 [0,0,0,1,0,1|2,0,0]=4 5605 B12R1.318 CCNC(=O)NC1CCNC1=O 2708a_100016995588_100015525214 [0,0,0,1,0,1|2,0,0]=4 5606 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100015525214_100016995588 [0,0,0,1,0,1|2,0,0]=4 5607 B12R1.318 CCNC(=O)NC1CCNC1=O 273464a_100016995588_100015525214 [0,0,0,1,0,1|2,0,0]=4 5608 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100015525214_100016995588 [0,0,0,1,0,1|2,0,0]=4 5609 B12R1.318 CCNC(=O)NC1CCNC1=O 512a_100016995588_100015525214 [0,0,0,1,0,1|2,0,0]=4 5610 B12R1.318 CCNC(=O)NC1CCSC1=O 2708a_100015525214_100000184058 [0,0,0,1,0,1|1,1,0]=4 5611 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100000184058_100015525214 [0,0,0,1,0,1|1,1,0]=4 5612 B12R1.318 CCNC(=O)NC1CCSC1=O 273464a_100015525214_100000184058 [0,0,0,1,0,1|1,1,0]=4 5613 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100000184058_100015525214 [0,0,0,1,0,1|1,1,0]=4 5614 B12R1.318 CCNC(=O)NC1CCSC1=O 512a_100015525214_100000184058 [0,0,0,1,0,1|1,1,0]=4 5615 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,0,0,1,0,1|1,0,1]=4 5616 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,0,0,1,0,1|1,0,1]=4 5617 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,0,0,1,0,1|1,0,1]=4 5618 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,0,0,1,0,1|1,0,1]=4 5619 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,0,0,1,0,1|1,0,1]=4 5620 B12R1.318 CNNC(=O)CN1CCCC1=O 22a_100016993582_100000189602 [0,0,0,1,0,1|2,0,0]=4 5621 B12R1.318 CNNC(=O)CN1CCOC1=O 22a_100016993582_100011227918 [0,0,0,1,0,1|2,0,0]=4 5622 B12R1.318 COCC(=O)NC1CCNC1=O 11a_100016995588_100000210968 [0,0,0,1,0,1|2,0,0]=4 5623 B12R1.318 COCC(=O)NC1CCNC1=O 1626a_100016995588_100000210968 [0,0,0,1,0,1|2,0,0]=4 5624 B12R1.318 COCC(=O)NC1CCNC1=O 240690a_100016995588_100000210968 [0,0,0,1,0,1|2,0,0]=4 5625 B12R1.318 COCC(=O)NC1CCNC1=O 527a_100016995588_100000210968 [0,0,0,1,0,1|2,0,0]=4 5626 B12R1.318 COCC(=O)NC1CCSC1=O 11a_100000184058_100000210968 [0,0,0,1,0,1|1,1,0]=4 5627 B12R1.318 COCC(=O)NC1CCSC1=O 1626a_100000184058_100000210968 [0,0,0,1,0,1|1,1,0]=4 5628 B12R1.318 COCC(=O)NC1CCSC1=O 240690a_100000184058_100000210968 [0,0,0,1,0,1|1,1,0]=4 5629 B12R1.318 COCC(=O)NC1CCSC1=O 527a_100000184058_100000210968 [0,0,0,1,0,1|1,1,0]=4 5630 B12R1.318 CSCC(=O)NC1CCNC1=O 11a_100016995588_100000184570 [0,0,0,1,0,1|2,0,0]=4 5631 B12R1.318 CSCC(=O)NC1CCNC1=O 1626a_100016995588_100000184570 [0,0,0,1,0,1|2,0,0]=4 5632 B12R1.318 CSCC(=O)NC1CCNC1=O 240690a_100016995588_100000184570 [0,0,0,1,0,1|2,0,0]=4 5633 B12R1.318 CSCC(=O)NC1CCNC1=O 527a_100016995588_100000184570 [0,0,0,1,0,1|2,0,0]=4 5634 B12R1.318 CSCC(=O)NC1CCSC1=O 11a_100000184058_100000184570 [0,0,0,1,0,1|1,1,0]=4 5635 B12R1.318 CSCC(=O)NC1CCSC1=O 1626a_100000184058_100000184570 [0,0,0,1,0,1|1,1,0]=4 5636 B12R1.318 CSCC(=O)NC1CCSC1=O 240690a_100000184058_100000184570 [0,0,0,1,0,1|1,1,0]=4 5637 B12R1.318 CSCC(=O)NC1CCSC1=O 527a_100000184058_100000184570 [0,0,0,1,0,1|1,1,0]=4 5638 B12R1.318 N#CCC(=O)CN1CCOC1=O 1458a_100011227918_100011214920 [0,0,0,1,0,1|1,0,1]=4 5639 B12R1.318 O=C(CCF)CN1CCCC1=O 1458a_100000189602_100011217306 [0,0,0,1,0,1|2,0,0]=4 5640 B12R1.318 O=C(CCF)CN1CCOC1=O 1458a_100011227918_100011217306 [0,0,0,1,0,1|1,0,0]=3 5641 B12R1.318 O=C(CCO)CN1CCCC1=O 1458a_100000189602_100000211926 [0,0,0,1,0,1|2,0,0]=4 5642 B12R1.318 O=C(CCO)CN1CCOC1=O 1458a_100011227918_100000211926 [0,0,0,1,0,1|1,0,0]=3 5643 B12R1.318 O=C(CCO)NC1CCNC1=O 240690a_100016995588_100011216618 [0,0,0,1,0,1|2,0,0]=4 5644 B12R1.318 O=C(CCO)NC1CCSC1=O 240690a_100000184058_100011216618 [0,0,0,1,0,1|1,1,0]=4 5645 B12R1.467 CCOC(=O)CCN1CC(C1)C 2230a_100000702820_100011206558 [0,0,0,1,0,1|2,0,0]=4 5646 B12R1.467 CCOC(=O)CCN1CC(C1)C 269982a_100000702820_100011206558 [0,0,0,1,0,1|2,0,0]=4 5647 B12R1.467 CCOC(=O)CCN1CC(C1)C 34a_100000702820_100000765890 [0,0,0,1,0,1|2,0,0]=4 5648 B12R1.686 CC#CC(=O)COC(=O)C1CC1 1458a_100000763181_100000140896 [0,0,0,1,0,1|1,0,1]=4 5649 B12R1.686 CC=CC(=O)COC(=O)C1CC1 1458a_100000210699_100000140896 [0,0,0,1,0,1|1,0,1]=4 5650 B12R1.686 CCCC(=O)COC(=O)C1CC1 1458a_100000211992_100000140896 [0,0,0,1,0,1|1,0,0]=3 5651 B12R1.686 CCCC(=O)NNC(=O)C1CC1 22a_100000183419_100000211992 [0,0,0,1,0,1|2,0,0]=4 5652 B12R1.686 CCCC(=O)NNC(=O)C1CC1 22a_100000189770_100000210395 [0,0,0,1,0,1|2,0,0]=4 5653 B12R1.686 CCCC(=O)OCC(=O)C1CC1 1458a_100000210395_100000034017 [0,0,0,1,0,1|1,0,0]=3 5654 B12R1.686 CCCC(=O)OCC(=O)C1CO1 1458a_100000701028_100000034017 [0,0,0,1,0,1|2,0,0]=4 5655 B12R1.686 CCNC(=O)CNC(=O)C1CC1 11a_100016988866_100000210395 [0,0,0,1,0,1|1,0,0]=3 5656 B12R1.686 CCNC(=O)CNC(=O)C1CC1 1626a_100016988866_100000210395 [0,0,0,1,0,1|1,0,0]=3 5657 B12R1.686 CCNC(=O)CNC(=O)C1CC1 240690a_100016988866_100000210395 [0,0,0,1,0,1|1,0,0]=3 5658 B12R1.686 CCNC(=O)CNC(=O)C1CC1 527a_100016988866_100000210395 [0,0,0,1,0,1|1,0,0]=3 5659 B12R1.686 CCNC(=O)CNC(=O)C1CO1 11a_100016988866_100000701028 [0,0,0,1,0,1|2,0,0]=4 5660 B12R1.686 CCNC(=O)CNC(=O)C1CO1 1626a_100016988866_100000701028 [0,0,0,1,0,1|2,0,0]=4 5661 B12R1.686 CCNC(=O)CNC(=O)C1CO1 240690a_100016988866_100000701028 [0,0,0,1,0,1|2,0,0]=4 5662 B12R1.686 CCNC(=O)CNC(=O)C1CO1 527a_100016988866_100000701028 [0,0,0,1,0,1|2,0,0]=4 5663 B12R1.686 CCNC(=O)NNC(=O)C1CC1 273464a_100015525214_100000183419 [0,0,0,1,0,1|2,0,0]=4 5664 B12R1.686 CCOC(=O)CCN(C)C1CC1 2230a_100000226674_100011206558 [0,0,0,1,0,1|2,0,0]=4 5665 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000226674_100011206558 [0,0,0,1,0,1|2,0,0]=4 5666 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000745921_100000211595 [0,0,0,1,0,1|2,0,0]=4 5667 B12R1.686 CCOC(=O)CNC(=O)C1CC1 188690a_100000741813_100000210395 [0,0,0,1,0,1|0,0,0]=2 5668 B12R1.686 CCOC(=O)CNC(=O)C1CO1 188690a_100000741813_100000701028 [0,0,0,1,0,1|1,0,0]=3 5669 B12R1.686 CCOC(=O)CNC(C)C1CC1 2230a_100000700016_100000188475 [0,0,0,1,0,1|1,0,1]=4 5670 B12R1.686 CCOC(=O)CNC(C)C1CC1 34a_100000700016_100000188475 [0,0,0,1,0,1|1,0,1]=4 5671 B12R1.686 CCOC(=O)COC(C)C1CC1 34a_100000744524_100000188475 [0,0,0,1,0,1|1,0,1]=4 5672 B12R1.686 CCOC(=O)COC(C)C1CC1 7a_100000744524_100000188475 [0,0,0,1,0,1|1,0,1]=4 5673 B12R1.686 COCC(=O)COC(=O)C1CC1 1458a_100000210968_100000140896 [0,0,0,1,0,1|2,0,0]=4 5674 B12R1.686 CSCC(=O)COC(=O)C1CC1 1458a_100000184570_100000140896 [0,0,0,1,0,1|2,0,0]=4 5675 B12R1.686 O=C(CCO)COC(=O)C1CC1 1458a_100011216618_100000140896 [0,0,0,1,0,1|2,0,0]=4 5676 B12R1.1573 CCOC(=O)CNC1(CCC1)C 2230a_100000692455_100000188475 [0,0,0,1,0,1|1,0,1]=4 5677 B12R1.1573 CCOC(=O)CNC1(CCC1)C 34a_100000692455_100000188475 [0,0,0,1,0,1|1,0,1]=4 5678 B12R1.1573 CCOC(=O)COC1(CCC1)C 34a_100000759064_100000188475 [0,0,0,1,0,1|1,0,1]=4 5679 B12R1.1573 CCOC(=O)COC1(CCC1)C 7a_100000759064_100000188475 [0,0,0,1,0,1|1,0,1]=4 5680 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210303 [0,1,0,1,0,0|1,0,1]=4 5681 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000211992_100000707947 [0,1,0,1,0,0|1,0,1]=4 5682 B12R1.31 CCCC(=O)Cc1cc(on1)C 1458a_100000211992_100000199038 [0,1,0,1,0,0|1,0,1]=4 5683 B12R1.31 CCCC(=O)Cc1nc(no1)C 1458a_100000211992_100000735555 [0,1,0,1,0,0|1,0,1]=4 5684 B12R1.31 CCCC(=O)Cc1nc(no1)C 1458a_100011441805_100000210303 [0,1,0,1,0,0|1,0,1]=4 5685 B12R1.31 CCCC(=O)Cc1nnc(o1)C 1458a_100000211992_100000181450 [0,1,0,1,0,0|1,0,1]=4 5686 B12R1.31 CCCC(=O)Cc1noc(n1)C 1458a_100000105485_100000210303 [0,1,0,1,0,0|1,0,1]=4 5687 B12R1.31 CCCC(=O)Cc1noc(n1)C 1458a_100000211992_100000231061 [0,1,0,1,0,0|1,0,1]=4 5688 B12R1.31 CCOC(=O)CN1CCC(C1)O 2230a_100011215560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5689 B12R1.31 CCOC(=O)CN1CCC(C1)O 269982a_100011215560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5690 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000188475 [0,1,0,1,0,0|2,0,0]=4 5691 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000188475 [0,1,0,1,0,0|2,0,0]=4 5692 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000188475 [0,1,0,1,0,0|2,0,0]=4 5693 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000188475 [0,1,0,1,0,0|2,0,0]=4 5694 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000188475 [0,1,0,1,0,0|2,0,0]=4 5695 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000188475 [0,1,0,1,0,0|2,0,0]=4 5696 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 2230a_106256037354_200000210301 [0,1,0,1,0,0|1,0,1]=4 5697 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 269982a_106256037354_200000210301 [0,1,0,1,0,0|1,0,1]=4 5698 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 2230a_106256037354_200025704644 [0,1,0,1,0,0|1,0,1]=4 5699 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 269982a_106256037354_200025704644 [0,1,0,1,0,0|1,0,1]=4 5700 B12R1.144 CC(=CC(=O)C1CCCC1=O)C 1458a_100000211388_100000211823 [0,1,0,1,0,0|1,0,1]=4 5701 B12R1.144 CC(=CC(=O)C1CCCC1=O)Cl 1458a_200042562850_100000211823 [0,1,0,1,0,0|1,0,1]=4 5702 B12R1.144 CC(=CC(=O)C1CCCC1=O)I 1458a_100025716642_100000211823 [0,1,0,1,0,0|1,0,1]=4 5703 B12R1.144 CC(=CC(=O)C1CCOC1=O)C 1458a_100000211388_100000211211 [0,1,0,1,0,0|0,0,2]=4 5704 B12R1.144 CC(=CC(=O)C1CCOC1=O)Cl 1458a_200042562850_100000211211 [0,1,0,1,0,0|0,0,2]=4 5705 B12R1.144 CC(=CC(=O)C1CCOC1=O)I 1458a_100025716642_100000211211 [0,1,0,1,0,0|0,0,2]=4 5706 B12R1.144 CC(C)CC(=O)C1CCCC1=O 1458a_100000210554_100000211823 [0,1,0,1,0,0|1,0,0]=3 5707 B12R1.144 CC(C)CC(=O)C1CCOC1=O 1458a_100000210554_100000211211 [0,1,0,1,0,0|0,0,0]=2 5708 B12R1.144 CC(C)CN(C)C1CCOC1=O 2230a_100000747067_100000211211 [0,1,0,1,0,0|2,0,0]=4 5709 B12R1.144 CC(C)CN(C)C1CCOC1=O 269982a_100000747067_100000211211 [0,1,0,1,0,0|2,0,0]=4 5710 B12R1.144 CC(O)CN(C)C1CCOC1=O 2230a_100000227577_100000211211 [0,1,0,1,0,0|2,0,0]=4 5711 B12R1.144 CC(O)CN(C)C1CCOC1=O 269982a_100000227577_100000211211 [0,1,0,1,0,0|2,0,0]=4 5712 B12R1.144 CN(C)CC(=O)C1CCCC1=O 1458a_100000750896_100000211823 [0,1,0,1,0,0|2,0,0]=4 5713 B12R1.144 CN(C)CC(=O)C1CCOC1=O 1458a_100000750896_100000211211 [0,1,0,1,0,0|1,0,0]=3 5714 B12R1.144 C[C@@H](O)CC(=O)C1CCCC1=O 1458a_100011933948_100000211823 [0,1,0,1,0,0|1,0,0]=3 5715 B12R1.144 C[C@@H](O)CC(=O)C1CCOC1=O 1458a_100011933948_100000211211 [0,1,0,1,0,0|0,0,0]=2 5716 B12R1.144 C[S+](C)CC(=O)C1CCCC1=O 1458a_200159257847_100000211823 [0,1,0,1,0,0|2,0,0]=4 5717 B12R1.144 C[S+](C)CC(=O)C1CCOC1=O 1458a_200159257847_100000211211 [0,1,0,1,0,0|1,0,0]=3 5718 B12R1.144 NC(=O)CC(=O)C1CCOC1=O 1458a_100134613110_100000211211 [0,1,0,1,0,0|1,0,1]=4 5719 B12R1.260 CC(C)CC(=O)CC1=CCCC1 1458a_100000050221_100000210624 [0,1,0,1,0,0|2,0,0]=4 5720 B12R1.260 CC(C)CC(=O)CC1CCCO1 1458a_100000210554_100000203698 [0,1,0,1,0,0|1,0,1]=4 5721 B12R1.260 CC(C)CC(=O)CC1OCCO1 1458a_100000210554_100000755774 [0,1,0,1,0,0|0,0,2]=4 5722 B12R1.260 CC(C)NC(=O)CC1=CCCC1 11a_100138425928_100000050221 [0,1,0,1,0,0|2,0,0]=4 5723 B12R1.260 CC(C)NC(=O)CC1=CCCC1 1626a_100138425928_100000050221 [0,1,0,1,0,0|2,0,0]=4 5724 B12R1.260 CC(C)NC(=O)CC1=CCCC1 240690a_100138425928_100000050221 [0,1,0,1,0,0|2,0,0]=4 5725 B12R1.260 CC(C)NC(=O)CC1=CCCC1 527a_100138425928_100000050221 [0,1,0,1,0,0|2,0,0]=4 5726 B12R1.260 CC(C)OC(=O)CN1CCCC1 2230a_100000188435_100011215430 [0,1,0,1,0,0|2,0,0]=4 5727 B12R1.260 CC(C)OC(=O)CN1CCCC1 269982a_100000188435_100011215430 [0,1,0,1,0,0|2,0,0]=4 5728 B12R1.260 CC(O)CC(=O)CC1=CCCC1 1458a_100000050221_100011218427 [0,1,0,1,0,0|2,0,0]=4 5729 B12R1.260 C[C@@H](O)CC(=O)CC1CCCO1 1458a_100011933948_100000203698 [0,1,0,1,0,0|1,0,1]=4 5730 B12R1.260 C[C@@H](O)CC(=O)CC1OCCO1 1458a_100011933948_100000755774 [0,1,0,1,0,0|0,0,2]=4 5731 B12R1.521 C=C(CCC)CC(=O)CC1CC1 1458a_100000138376_100000742324 [0,1,0,1,0,0|2,0,0]=4 5732 B12R1.521 C=C(CCC)CC(=O)CC1CO1 1458a_100000138376_100011216344 [0,1,0,1,0,0|2,0,0]=4 5733 B12R1.521 C=C(CCC)CC(=O)CC1CS1 1458a_100000138376_100000031435 [0,1,0,1,0,0|2,0,0]=4 5734 B12R1.521 C=C(CCC)CC(=O)C[C@@H]1CO1 1458a_100000138376_100000745022 [0,1,0,1,0,0|2,0,0]=4 5735 B12R1.521 C=C(CCC)CC(=O)NC1CC1 240690a_100000212008_100000138376 [0,1,0,1,0,0|2,0,0]=4 5736 B12R1.521 C=C(CCC)CC(=O)NC1CC1 527a_100000212008_100000138376 [0,1,0,1,0,0|2,0,0]=4 5737 B12R1.521 C=COC(=O)CC(=O)CC1CC1 1458a_100000738066_100000036128 [0,1,0,1,0,0|0,0,2]=4 5738 B12R1.521 CC#CC(=O)CC(=O)NC1CC1 1458a_100000763181_100000182950 [0,1,0,1,0,0|1,0,1]=4 5739 B12R1.521 CC=CC(=O)CC(=O)NC1CC1 1458a_100000210699_100000182950 [0,1,0,1,0,0|1,0,1]=4 5740 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [0,1,0,1,0,0|1,0,0]=3 5741 B12R1.521 CCCC(=O)CC(=O)NC1CC1 1458a_100000211992_100000182950 [0,1,0,1,0,0|1,0,0]=3 5742 B12R1.521 CCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210303 [0,1,0,1,0,0|2,0,0]=4 5743 B12R1.521 CCCS(=O)CC(=O)CC1CC1 1458a_100011387404_100000742324 [0,1,0,1,0,0|2,0,0]=4 5744 B12R1.521 CCCS(=O)CC(=O)CC1CO1 1458a_100011387404_100011216344 [0,1,0,1,0,0|2,0,0]=4 5745 B12R1.521 CCCS(=O)CC(=O)CC1CS1 1458a_100011387404_100000031435 [0,1,0,1,0,0|2,0,0]=4 5746 B12R1.521 CCCS(=O)CC(=O)C[C@@H]1CO1 1458a_100011387404_100000745022 [0,1,0,1,0,0|2,0,0]=4 5747 B12R1.521 CCCS(=O)CC(=O)NC1CC1 1626a_100000212008_100011387404 [0,1,0,1,0,0|2,0,0]=4 5748 B12R1.521 CCCS(=O)CC(=O)NC1CC1 240690a_100000212008_100011387404 [0,1,0,1,0,0|2,0,0]=4 5749 B12R1.521 CCCS(=O)CC(=O)NC1CC1 527a_100000212008_100011387404 [0,1,0,1,0,0|2,0,0]=4 5750 B12R1.521 CCNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000183381 [0,1,0,1,0,0|1,0,0]=3 5751 B12R1.521 CCNC(=O)CS(=O)CC1CC1 11a_100015525214_100011387478 [0,1,0,1,0,0|2,0,0]=4 5752 B12R1.521 CCNC(=O)CS(=O)CC1CC1 240690a_100015525214_100011387478 [0,1,0,1,0,0|2,0,0]=4 5753 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000243816_100000742324 [0,1,0,1,0,0|0,0,0]=2 5754 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000188475 [0,1,0,1,0,0|0,0,0]=2 5755 B12R1.521 CCOC(=O)CC(=O)CC1CO1 1458a_100000243816_100011216344 [0,1,0,1,0,0|0,0,0]=2 5756 B12R1.521 CCOC(=O)CC(=O)CC1CS1 1458a_100000243816_100000031435 [0,1,0,1,0,0|0,0,0]=2 5757 B12R1.521 CCOC(=O)CC(=O)C[C@@H]1CO1 1458a_100000243816_100000745022 [0,1,0,1,0,0|0,0,0]=2 5758 B12R1.521 CCOC(=O)CC(=O)NC1CC1 240690a_100000212008_100000243816 [0,1,0,1,0,0|0,0,0]=2 5759 B12R1.521 CCOC(=O)CC(C)SC1CC1 62a_100009817359_100000211595 [0,1,0,1,0,0|1,0,1]=4 5760 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000220588_100000742324 [0,1,0,1,0,0|2,0,0]=4 5761 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000741881_100000188475 [0,1,0,1,0,0|2,0,0]=4 5762 B12R1.521 CCOC(=O)CN(C)CC1CC1 269982a_100000741881_100000188475 [0,1,0,1,0,0|2,0,0]=4 5763 B12R1.521 CCOC(=O)CN(C)CC1CO1 2230a_100000220588_100011216344 [0,1,0,1,0,0|2,0,0]=4 5764 B12R1.521 COCC(=O)CC(=O)NC1CC1 1458a_100000210968_100000182950 [0,1,0,1,0,0|2,0,0]=4 5765 B12R1.521 CSCC(=O)CC(=O)NC1CC1 1458a_100000184570_100000182950 [0,1,0,1,0,0|2,0,0]=4 5766 B12R1.521 O=C(CC(=O)NCO)CC1CC1 1458a_100000738066_100000185155 [0,1,0,1,0,0|2,0,0]=4 5767 B12R1.521 O=C(CCO)CC(=O)NC1CC1 1458a_100011216618_100000182950 [0,1,0,1,0,0|2,0,0]=4 5768 B12R1.1061 CC1CN(C1)CC(=O)OC(C)C 2230a_100000702820_100011215430 [0,1,0,1,0,0|2,0,0]=4 5769 B12R1.1061 CC1CN(C1)CC(=O)OC(C)C 269982a_100000702820_100011215430 [0,1,0,1,0,0|2,0,0]=4 5770 B12R1.1061 CC1CN(C1)CC(=O)OC(C)C 34a_100000702820_100011215430 [0,1,0,1,0,0|2,0,0]=4 5771 B12R1.1620 CCOC(=O)CN1CC(C1)(C)C 2230a_100000753659_100000188475 [0,1,0,1,0,0|2,0,0]=4 5772 B12R1.1620 CCOC(=O)CN1CC(C1)(C)C 269982a_100000753659_100000188475 [0,1,0,1,0,0|2,0,0]=4 5773 B12R1.1620 CCOC(=O)CN1CC(C1)(C)F 2230a_100000696199_100000188475 [0,1,0,1,0,0|2,0,0]=4 5774 B12R1.1620 CCOC(=O)CN1CC(C1)(C)F 269982a_100000696199_100000188475 [0,1,0,1,0,0|2,0,0]=4 5775 B12R1.1620 CCOC(=O)CN1CC(C1)(C)O 2230a_100000718560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5776 B12R1.1620 CCOC(=O)CN1CC(C1)(C)O 269982a_100000718560_100000188475 [0,1,0,1,0,0|2,0,0]=4 5777 B12R1.1811 CC(=CC(=O)CC(=O)C1CC1)C 1458a_100000211388_100000746382 [0,1,0,1,0,0|1,0,1]=4 5778 B12R1.1811 CC(=CC(=O)CC(=O)C1CC1)Cl 1458a_200042562850_100000746382 [0,1,0,1,0,0|1,0,1]=4 5779 B12R1.1811 CC(=CC(=O)CC(=O)C1CC1)I 1458a_100025716642_100000746382 [0,1,0,1,0,0|1,0,1]=4 5780 B12R1.1811 CC(=O)NC(=O)CC(=O)C1CC1 1458a_100000210395_100000183797 [0,1,0,1,0,0|1,0,1]=4 5781 B12R1.1811 CC(C)CC(=O)CC(=O)C1CC1 1458a_100000210554_100000746382 [0,1,0,1,0,0|1,0,0]=3 5782 B12R1.1811 CC(C)NC(=O)CC(=O)C1CC1 1458a_100000210395_100000183996 [0,1,0,1,0,0|1,0,0]=3 5783 B12R1.1811 CC(C)NC(=O)CC(=O)C1CO1 1458a_100000701028_100000183996 [0,1,0,1,0,0|2,0,0]=4 5784 B12R1.1811 CC(C)OC(=O)CC(=O)C1CC1 1458a_100000210395_100011215430 [0,1,0,1,0,0|0,0,0]=2 5785 B12R1.1811 CC(C)OC(=O)CC(=O)C1CO1 1458a_100000701028_100011215430 [0,1,0,1,0,0|1,0,0]=3 5786 B12R1.1811 CC(C)OC(=O)CN(C)C1CC1 2230a_100000226674_100011215430 [0,1,0,1,0,0|2,0,0]=4 5787 B12R1.1811 CC(C)OC(=O)CN(C)C1CC1 269982a_100000226674_100011215430 [0,1,0,1,0,0|2,0,0]=4 5788 B12R1.1811 CN(C)CC(=O)CC(=O)C1CC1 1458a_100000750896_100000746382 [0,1,0,1,0,0|2,0,0]=4 5789 B12R1.1811 C[C@@H](O)CC(=O)CC(=O)C1CC1 1458a_100011933948_100000746382 [0,1,0,1,0,0|1,0,0]=3 5790 B12R1.1811 C[S+](C)CC(=O)CC(=O)C1CC1 1458a_200159257847_100000746382 [0,1,0,1,0,0|2,0,0]=4 5791 B12R1.3418 C=COC(=O)CC(=O)C1CC1C 1458a_100000211227_100000036128 [0,1,0,1,0,0|0,0,2]=4 5792 B12R1.3418 C=COC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000036128 [0,1,0,1,0,0|0,0,2]=4 5793 B12R1.3418 CC1CC1C(=O)CC(=O)NCO 1458a_100000211227_100000185155 [0,1,0,1,0,0|2,0,0]=4 5794 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [0,1,0,1,0,0|1,0,0]=3 5795 B12R1.3418 CCCC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000747444 [0,1,0,1,0,0|1,0,0]=3 5796 B12R1.3418 CCNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000183381 [0,1,0,1,0,0|1,0,0]=3 5797 B12R1.3418 CCNC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000183381 [0,1,0,1,0,0|1,0,0]=3 5798 B12R1.3418 CCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000188475 [0,1,0,1,0,0|0,0,0]=2 5799 B12R1.3418 CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000188475 [0,1,0,1,0,0|0,0,0]=2 5800 B12R1.3418 O=C(CC(=O)[C@@H]1C[C@@H]1F)NCO 1458a_100015396687_100000185155 [0,1,0,1,0,0|2,0,0]=4 5801 B12R1.32 CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210303 [0,1,0,1,0,0|2,0,0]=4 5802 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,1,0,1,0,0|1,0,1]=4 5803 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,1,0,1,0,0|1,0,1]=4 5804 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,1,0,1,0,0|1,0,1]=4 5805 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,1,0,1,0,0|1,0,1]=4 5806 B12R1.32 CCCC(=O)CN1CCCOC1 2230a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 5807 B12R1.32 CCCC(=O)CN1CCCOC1 269982a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 5808 B12R1.32 CCNC(=O)CC1=CCCCC1 11a_100015525214_100000039269 [0,1,0,1,0,0|2,0,0]=4 5809 B12R1.32 CCNC(=O)CC1=CCCCC1 240690a_100015525214_100000039269 [0,1,0,1,0,0|2,0,0]=4 5810 B12R1.32 CCNC(=O)CC1=CCCCC1 527a_100015525214_100000039269 [0,1,0,1,0,0|2,0,0]=4 5811 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,1,0,1,0,0|1,0,1]=4 5812 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,1,0,1,0,0|1,0,1]=4 5813 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,1,0,1,0,0|1,0,1]=4 5814 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 5815 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 5816 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 5817 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 5818 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 5819 B12R1.53 CCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210211 [0,1,0,1,0,0|2,0,0]=4 5820 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [0,1,0,1,0,0|1,0,1]=4 5821 B12R1.53 CCCCC(=O)CC1OCCO1 1458a_100000210183_100000755774 [0,1,0,1,0,0|0,0,2]=4 5822 B12R1.53 CCCNC(=O)CC1=CCCC1 11a_100020643023_100000050221 [0,1,0,1,0,0|2,0,0]=4 5823 B12R1.53 CCCNC(=O)CC1=CCCC1 1626a_100020643023_100000050221 [0,1,0,1,0,0|2,0,0]=4 5824 B12R1.53 CCCNC(=O)CC1=CCCC1 240690a_100020643023_100000050221 [0,1,0,1,0,0|2,0,0]=4 5825 B12R1.53 CCCNC(=O)CC1=CCCC1 527a_100020643023_100000050221 [0,1,0,1,0,0|2,0,0]=4 5826 B12R1.53 CCCOC(=O)CN1CCCC1 2230a_100000188435_200011215008 [0,1,0,1,0,0|2,0,0]=4 5827 B12R1.53 CCCOC(=O)CN1CCCC1 269982a_100000188435_200011215008 [0,1,0,1,0,0|2,0,0]=4 5828 B12R1.53 CCNNC(=O)CC1=CCCC1 22a_100000756455_100000050221 [0,1,0,1,0,0|2,0,0]=4 5829 B12R1.53 CCOCC(=O)CC1CCCC1 1458a_100000211967_100000740388 [0,1,0,1,0,0|1,0,1]=4 5830 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [0,1,0,1,0,0|0,0,2]=4 5831 B12R1.53 CCOCC(=O)CC1OCCO1 1458a_100000211967_100000755774 [0,1,0,1,0,0|0,0,2]=4 5832 B12R1.53 CCSCC(=O)CC1CCCO1 1458a_100000230394_100000203698 [0,1,0,1,0,0|1,0,1]=4 5833 B12R1.53 CCSCC(=O)CC1OCCO1 1458a_100000230394_100000755774 [0,1,0,1,0,0|0,0,2]=4 5834 B12R1.53 COCCC(=O)CC1=CCCC1 1458a_100000050221_100000233755 [0,1,0,1,0,0|2,0,0]=4 5835 B12R1.53 COCCC(=O)CC1CCCO1 1458a_100000749529_100000203698 [0,1,0,1,0,0|1,0,1]=4 5836 B12R1.53 COCCC(=O)CC1OCCO1 1458a_100000749529_100000755774 [0,1,0,1,0,0|0,0,2]=4 5837 B12R1.53 CSCCC(=O)CC1=CCCC1 1458a_100000050221_100000751147 [0,1,0,1,0,0|2,0,0]=4 5838 B12R1.53 CSCCC(=O)CC1CCCO1 1458a_100000174002_100000203698 [0,1,0,1,0,0|1,0,1]=4 5839 B12R1.53 CSCCC(=O)CC1OCCO1 1458a_100000174002_100000755774 [0,1,0,1,0,0|0,0,2]=4 5840 B12R1.53 O=C(CC1=CCCC1)NCCF 11a_100000724931_100000050221 [0,1,0,1,0,0|2,0,0]=4 5841 B12R1.53 O=C(CC1=CCCC1)NCCF 1626a_100000724931_100000050221 [0,1,0,1,0,0|2,0,0]=4 5842 B12R1.53 O=C(CC1=CCCC1)NCCF 240690a_100000724931_100000050221 [0,1,0,1,0,0|2,0,0]=4 5843 B12R1.53 O=C(CC1=CCCC1)NCCF 527a_100000724931_100000050221 [0,1,0,1,0,0|2,0,0]=4 5844 B12R1.53 O=C(CC1=CCCC1)NCCO 240690a_100000210304_100000050221 [0,1,0,1,0,0|2,0,0]=4 5845 B12R1.53 O=C(CC1=CCCC1)NCCO 527a_100000210304_100000050221 [0,1,0,1,0,0|2,0,0]=4 5846 B12R1.53 O=C(CCCF)CC1=CCCC1 1458a_100000050221_100011934791 [0,1,0,1,0,0|2,0,0]=4 5847 B12R1.53 O=C(CCCO)CC1=CCCC1 1458a_100000050221_100011215043 [0,1,0,1,0,0|2,0,0]=4 5848 B12R1.308 CC#CC(=O)C1CCCCC1=O 1458a_100000763181_100000204591 [0,1,0,1,0,0|1,0,1]=4 5849 B12R1.308 CC#CC(=O)C1CCCNC1=O 1458a_100000763181_100000687798 [0,1,0,1,0,0|1,0,1]=4 5850 B12R1.308 CC#CC(=O)C1COCCC1=O 1458a_100000763181_100012180262 [0,1,0,1,0,0|1,0,1]=4 5851 B12R1.308 CC=CC(=O)C1CCCCC1=O 1458a_100000210699_100000204591 [0,1,0,1,0,0|1,0,1]=4 5852 B12R1.308 CC=CC(=O)C1CCCNC1=O 1458a_100000210699_100000687798 [0,1,0,1,0,0|1,0,1]=4 5853 B12R1.308 CC=CC(=O)C1COCCC1=O 1458a_100000210699_100012180262 [0,1,0,1,0,0|1,0,1]=4 5854 B12R1.308 CCCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210303 [0,1,0,1,0,0|1,0,1]=4 5855 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|1,0,0]=3 5856 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210303 [0,1,0,1,0,0|1,0,0]=3 5857 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000211992_100000687798 [0,1,0,1,0,0|1,0,0]=3 5858 B12R1.308 CCCC(=O)C1COCCC1=O 1458a_100000211992_100012180262 [0,1,0,1,0,0|1,0,0]=3 5859 B12R1.308 CCNC(=O)C1CCCNC1=O 11a_100015525214_100000087122 [0,1,0,1,0,0|1,0,0]=3 5860 B12R1.308 CCNC(=O)C1CCCNC1=O 240690a_100015525214_100000087122 [0,1,0,1,0,0|1,0,0]=3 5861 B12R1.308 CCNC(=O)C1CCCNC1=O 527a_100015525214_100000087122 [0,1,0,1,0,0|1,0,0]=3 5862 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,1,0,1,0,0|2,0,0]=4 5863 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,1,0,1,0,0|2,0,0]=4 5864 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,1,0,1,0,0|2,0,0]=4 5865 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,1,0,1,0,0|2,0,0]=4 5866 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 5867 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 5868 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 5869 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 5870 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 5871 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 5872 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 5873 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 5874 B12R1.308 CNNC(=O)C1CCCNC1=O 22a_100016993582_100000087122 [0,1,0,1,0,0|2,0,0]=4 5875 B12R1.308 COCC(=O)C1CCCCC1=O 1458a_100000210968_100000204591 [0,1,0,1,0,0|2,0,0]=4 5876 B12R1.308 COCC(=O)C1CCCNC1=O 1458a_100000210968_100000687798 [0,1,0,1,0,0|2,0,0]=4 5877 B12R1.308 COCC(=O)C1COCCC1=O 1458a_100000210968_100012180262 [0,1,0,1,0,0|2,0,0]=4 5878 B12R1.308 CSCC(=O)C1CCCCC1=O 1458a_100000184570_100000204591 [0,1,0,1,0,0|2,0,0]=4 5879 B12R1.308 CSCC(=O)C1CCCNC1=O 1458a_100000184570_100000687798 [0,1,0,1,0,0|2,0,0]=4 5880 B12R1.308 CSCC(=O)C1COCCC1=O 1458a_100000184570_100012180262 [0,1,0,1,0,0|2,0,0]=4 5881 B12R1.308 O=C(CCF)C1CCCNC1=O 1458a_100000087122_100011217306 [0,1,0,1,0,0|2,0,0]=4 5882 B12R1.308 O=C(CCO)C1CCCCC1=O 1458a_100011216618_100000204591 [0,1,0,1,0,0|2,0,0]=4 5883 B12R1.308 O=C(CCO)C1CCCNC1=O 1458a_100000087122_100000211926 [0,1,0,1,0,0|2,0,0]=4 5884 B12R1.308 O=C(CCO)C1CCCNC1=O 1458a_100011216618_100000687798 [0,1,0,1,0,0|2,0,0]=4 5885 B12R1.308 O=C(CCO)C1COCCC1=O 1458a_100011216618_100012180262 [0,1,0,1,0,0|2,0,0]=4 5886 B12R1.460 C#CCCC(=O)C1CCCC1=O 1458a_100000692101_100000211823 [0,1,0,1,0,0|1,0,1]=4 5887 B12R1.460 C#CCCC(=O)C1CCOC1=O 1458a_100000692101_100000211211 [0,1,0,1,0,0|0,0,1]=3 5888 B12R1.460 C=CCCC(=O)C1CCCC1=O 1458a_100000749702_100000211823 [0,1,0,1,0,0|1,0,1]=4 5889 B12R1.460 C=CCCC(=O)C1CCOC1=O 1458a_100000749702_100000211211 [0,1,0,1,0,0|0,0,1]=3 5890 B12R1.460 CC=CCC(=O)C1CCCC1=O 1458a_100121576822_100000211823 [0,1,0,1,0,0|1,0,1]=4 5891 B12R1.460 CC=CCC(=O)C1CCOC1=O 1458a_100121576822_100000211211 [0,1,0,1,0,0|0,0,1]=3 5892 B12R1.460 CCC#CC(=O)C1CCCC1=O 1458a_100011827653_100000211823 [0,1,0,1,0,0|1,0,0]=3 5893 B12R1.460 CCC#CC(=O)C1CCOC1=O 1458a_100011827653_100000211211 [0,1,0,1,0,0|0,0,1]=3 5894 B12R1.460 CCC=CC(=O)C1CCCC1=O 1458a_100000212282_100000211823 [0,1,0,1,0,0|1,0,0]=3 5895 B12R1.460 CCC=CC(=O)C1CCOC1=O 1458a_100000212282_100000211211 [0,1,0,1,0,0|0,0,1]=3 5896 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [0,1,0,1,0,0|1,0,0]=3 5897 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [0,1,0,1,0,0|0,0,0]=2 5898 B12R1.460 CCCCN(C)C1CCOC1=O 2230a_100000207549_100000211211 [0,1,0,1,0,0|2,0,0]=4 5899 B12R1.460 CCCCN(C)C1CCOC1=O 269982a_100000207549_100000211211 [0,1,0,1,0,0|2,0,0]=4 5900 B12R1.460 CCNCC(=O)N1CCNC1=O 2230a_100015525214_100000185157 [0,1,0,1,0,0|2,0,0]=4 5901 B12R1.460 CCNN=C(C)C1CCOC1=O 4a_100000756455_100000211971 [0,1,0,1,0,0|2,0,0]=4 5902 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [0,1,0,1,0,0|0,0,0]=2 5903 B12R1.460 CCOCC(=O)C1CCOC1=O 1458a_100000211967_100000211211 [0,1,0,1,0,0|0,0,0]=2 5904 B12R1.460 CCSCC(=O)C1CCCC1=O 1458a_100000230394_100000211823 [0,1,0,1,0,0|0,1,0]=3 5905 B12R1.460 CCSCC(=O)C1CCOC1=O 1458a_100000230394_100000211211 [0,1,0,1,0,0|0,0,0]=2 5906 B12R1.460 CCSCC(=O)N1CCNC1=O 62a_100000185157_100000210202 [0,1,0,1,0,0|2,0,0]=4 5907 B12R1.460 CCSCC(=O)N1CCNC1=O 62a_100000210202_100000185157 [0,1,0,1,0,0|2,0,0]=4 5908 B12R1.460 CN(CCCO)C1CCOC1=O 2230a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 5909 B12R1.460 CN(CCCO)C1CCOC1=O 269982a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 5910 B12R1.460 COC=CC(=O)C1CCCC1=O 1458a_100016268678_100000211823 [0,1,0,1,0,0|1,0,1]=4 5911 B12R1.460 COC=CC(=O)C1CCOC1=O 1458a_100016268678_100000211211 [0,1,0,1,0,0|0,0,2]=4 5912 B12R1.460 COCCC(=O)C1CCCC1=O 1458a_100000749529_100000211823 [0,1,0,1,0,0|1,0,0]=3 5913 B12R1.460 COCCC(=O)C1CCOC1=O 1458a_100000749529_100000211211 [0,1,0,1,0,0|0,0,0]=2 5914 B12R1.460 COCCN(C)C1CCOC1=O 2230a_100000743101_100000211211 [0,1,0,1,0,0|2,0,0]=4 5915 B12R1.460 COCCN(C)C1CCOC1=O 269982a_100000743101_100000211211 [0,1,0,1,0,0|2,0,0]=4 5916 B12R1.460 CSCCC(=O)C1CCCC1=O 1458a_100000174002_100000211823 [0,1,0,1,0,0|1,0,0]=3 5917 B12R1.460 CSCCC(=O)C1CCOC1=O 1458a_100000174002_100000211211 [0,1,0,1,0,0|0,0,0]=2 5918 B12R1.460 CSCCN(C)C1CCOC1=O 2230a_100000686725_100000211211 [0,1,0,1,0,0|2,0,0]=4 5919 B12R1.460 CSCCN(C)C1CCOC1=O 269982a_100000686725_100000211211 [0,1,0,1,0,0|2,0,0]=4 5920 B12R1.460 N#CCCC(=O)C1CCCC1=O 1458a_100011934036_100000211823 [0,1,0,1,0,0|1,0,1]=4 5921 B12R1.460 N#CCCC(=O)C1CCOC1=O 1458a_100011934036_100000211211 [0,1,0,1,0,0|0,0,1]=3 5922 B12R1.460 O=C(C#CCO)C1CCCC1=O 1458a_100000049017_100000211823 [0,1,0,1,0,0|1,0,1]=4 5923 B12R1.460 O=C(C#CCO)C1CCOC1=O 1458a_100000049017_100000211211 [0,1,0,1,0,0|0,0,2]=4 5924 B12R1.462 CCCOC(=O)CN1CC(C1)C 2230a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 5925 B12R1.462 CCCOC(=O)CN1CC(C1)C 269982a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 5926 B12R1.462 CCCOC(=O)CN1CC(C1)C 34a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 5927 B12R1.519 C=C(CCC)CC(=O)C1CCC1 1458a_100000138376_100000749161 [0,1,0,1,0,0|2,0,0]=4 5928 B12R1.519 C=C(CCC)CC(=O)C1COC1 1458a_100000138376_100000687716 [0,1,0,1,0,0|2,0,0]=4 5929 B12R1.519 C=C(CCC)CC(=O)N1CCC1 11a_100000754969_100000138376 [0,1,0,1,0,0|2,0,0]=4 5930 B12R1.519 C=C(CCC)CC(=O)N1CCC1 240690a_100000754969_100000138376 [0,1,0,1,0,0|2,0,0]=4 5931 B12R1.519 C=C(CCC)CC(=O)N1CCC1 527a_100000754969_100000138376 [0,1,0,1,0,0|2,0,0]=4 5932 B12R1.519 C=COC(=O)CC(=O)C1CCC1 1458a_100000209988_100000036128 [0,1,0,1,0,0|0,0,2]=4 5933 B12R1.519 C=COC(=O)CC(=O)C1CCO1 1458a_100000089072_100000036128 [0,1,0,1,0,0|0,0,2]=4 5934 B12R1.519 C=COC(=O)CC(=O)C1COC1 1458a_100000758290_100000036128 [0,1,0,1,0,0|0,0,2]=4 5935 B12R1.519 CC#CC(=O)CC(=O)C1CCC1 1458a_100000763181_100000686122 [0,1,0,1,0,0|1,0,1]=4 5936 B12R1.519 CC#CC(=O)CC(=O)N1CCC1 1458a_100000763181_100000185095 [0,1,0,1,0,0|1,0,1]=4 5937 B12R1.519 CC=CC(=O)CC(=O)C1CCC1 1458a_100000210699_100000686122 [0,1,0,1,0,0|1,0,1]=4 5938 B12R1.519 CC=CC(=O)CC(=O)N1CCC1 1458a_100000210699_100000185095 [0,1,0,1,0,0|1,0,1]=4 5939 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747444 [0,1,0,1,0,0|1,0,0]=3 5940 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000211992_100000686122 [0,1,0,1,0,0|1,0,0]=3 5941 B12R1.519 CCCC(=O)CC(=O)C1CCO1 1458a_100000089072_100000747444 [0,1,0,1,0,0|0,0,0]=2 5942 B12R1.519 CCCC(=O)CC(=O)C1COC1 1458a_100000758290_100000747444 [0,1,0,1,0,0|1,0,0]=3 5943 B12R1.519 CCCC(=O)CC(=O)N1CCC1 1458a_100000211992_100000185095 [0,1,0,1,0,0|1,0,0]=3 5944 B12R1.519 CCCC(C)CC(=O)C1CCO1 1458a_100000089072_100011216630 [0,1,0,1,0,0|1,0,1]=4 5945 B12R1.519 CCCS(=O)CC(=O)C1CCC1 1458a_100011387404_100000749161 [0,1,0,1,0,0|2,0,0]=4 5946 B12R1.519 CCCS(=O)CC(=O)C1COC1 1458a_100011387404_100000687716 [0,1,0,1,0,0|2,0,0]=4 5947 B12R1.519 CCCS(=O)CC(=O)N1CCC1 11a_100000754969_100011387404 [0,1,0,1,0,0|2,0,0]=4 5948 B12R1.519 CCCS(=O)CC(=O)N1CCC1 240690a_100000754969_100011387404 [0,1,0,1,0,0|2,0,0]=4 5949 B12R1.519 CCCS(=O)CC(=O)N1CCC1 527a_100000754969_100011387404 [0,1,0,1,0,0|2,0,0]=4 5950 B12R1.519 CCNC(=O)CC(=O)C1CCC1 1458a_100000209988_100000183381 [0,1,0,1,0,0|1,0,0]=3 5951 B12R1.519 CCNC(=O)CC(=O)C1CCO1 1458a_100000089072_100000183381 [0,1,0,1,0,0|1,0,0]=3 5952 B12R1.519 CCNC(=O)CC(=O)C1COC1 1458a_100000758290_100000183381 [0,1,0,1,0,0|1,0,0]=3 5953 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000188475 [0,1,0,1,0,0|0,0,0]=2 5954 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000243816_100000749161 [0,1,0,1,0,0|0,0,0]=2 5955 B12R1.519 CCOC(=O)CC(=O)C1CCO1 1458a_100000089072_100000188475 [0,1,0,1,0,0|0,0,0]=2 5956 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000243816_100000687716 [0,1,0,1,0,0|0,0,0]=2 5957 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000758290_100000188475 [0,1,0,1,0,0|0,0,0]=2 5958 B12R1.519 CCOC(=O)CC(=O)N1CCC1 240690a_100000754969_100000243816 [0,1,0,1,0,0|0,0,0]=2 5959 B12R1.519 CCOC(=O)CC(C)N1CCC1 269982a_100000754969_100009817359 [0,1,0,1,0,0|1,0,1]=4 5960 B12R1.519 CCOC(=O)CN(C)C1CCC1 2230a_100000758072_100000188475 [0,1,0,1,0,0|2,0,0]=4 5961 B12R1.519 CCOC(=O)CN(C)C1CCC1 269982a_100000758072_100000188475 [0,1,0,1,0,0|2,0,0]=4 5962 B12R1.519 CCOC(=O)CN(C)C1CCC1 270004a_100000220588_100000241760 [0,1,0,1,0,0|2,0,0]=4 5963 B12R1.519 CCOC(=O)CN(C)C1CCC1 34a_100000758072_100000188475 [0,1,0,1,0,0|2,0,0]=4 5964 B12R1.519 CCOC(=O)CN(C)C1COC1 2230a_100102693430_100000188475 [0,1,0,1,0,0|2,0,0]=4 5965 B12R1.519 CCOC(=O)CN(C)C1COC1 269982a_100102693430_100000188475 [0,1,0,1,0,0|2,0,0]=4 5966 B12R1.519 COCC(=O)CC(=O)C1CCC1 1458a_100000210968_100000686122 [0,1,0,1,0,0|2,0,0]=4 5967 B12R1.519 COCC(=O)CC(=O)N1CCC1 1458a_100000210968_100000185095 [0,1,0,1,0,0|2,0,0]=4 5968 B12R1.519 CSCC(=O)CC(=O)C1CCC1 1458a_100000184570_100000686122 [0,1,0,1,0,0|2,0,0]=4 5969 B12R1.519 CSCC(=O)CC(=O)N1CCC1 1458a_100000184570_100000185095 [0,1,0,1,0,0|2,0,0]=4 5970 B12R1.519 O=C(CC(=O)C1CCC1)NCO 1458a_100000209988_100000185155 [0,1,0,1,0,0|2,0,0]=4 5971 B12R1.519 O=C(CC(=O)C1CCO1)NCO 1458a_100000089072_100000185155 [0,1,0,1,0,0|2,0,0]=4 5972 B12R1.519 O=C(CC(=O)C1COC1)NCO 1458a_100000758290_100000185155 [0,1,0,1,0,0|2,0,0]=4 5973 B12R1.519 O=C(CCO)CC(=O)C1CCC1 1458a_100011216618_100000686122 [0,1,0,1,0,0|2,0,0]=4 5974 B12R1.519 O=C(CCO)CC(=O)N1CCC1 1458a_100011216618_100000185095 [0,1,0,1,0,0|2,0,0]=4 5975 B12R1.841 C#CCCC(=O)CC(=O)C1CC1 1458a_100000692101_100000746382 [0,1,0,1,0,0|1,0,1]=4 5976 B12R1.841 C=C(CC(=O)C1CC1)OCOC 1458a_100000210395_100000042856 [0,1,0,1,0,0|1,0,0]=3 5977 B12R1.841 C=C(CC(=O)C1CO1)OCOC 1458a_100000701028_100000042856 [0,1,0,1,0,0|2,0,0]=4 5978 B12R1.841 C=CCCC(=O)CC(=O)C1CC1 1458a_100000749702_100000746382 [0,1,0,1,0,0|1,0,1]=4 5979 B12R1.841 C=CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183597 [0,1,0,1,0,0|1,0,1]=4 5980 B12R1.841 C=CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000033060 [0,1,0,1,0,0|0,0,1]=3 5981 B12R1.841 C=CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000033060 [0,1,0,1,0,0|1,0,1]=4 5982 B12R1.841 CC=CCC(=O)CC(=O)C1CC1 1458a_100121576822_100000746382 [0,1,0,1,0,0|1,0,1]=4 5983 B12R1.841 CCC#CC(=O)CC(=O)C1CC1 1458a_100011827653_100000746382 [0,1,0,1,0,0|1,0,0]=3 5984 B12R1.841 CCC=CC(=O)CC(=O)C1CC1 1458a_100000212282_100000746382 [0,1,0,1,0,0|1,0,0]=3 5985 B12R1.841 CCCCC(=O)CC(=O)C1CC1 1458a_100000210183_100000746382 [0,1,0,1,0,0|1,0,0]=3 5986 B12R1.841 CCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183358 [0,1,0,1,0,0|1,0,0]=3 5987 B12R1.841 CCCNC(=O)CC(=O)C1CO1 1458a_100000701028_100000183358 [0,1,0,1,0,0|2,0,0]=4 5988 B12R1.841 CCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200011215008 [0,1,0,1,0,0|0,0,0]=2 5989 B12R1.841 CCCOC(=O)CC(=O)C1CO1 1458a_100000701028_200011215008 [0,1,0,1,0,0|1,0,0]=3 5990 B12R1.841 CCCOC(=O)CN(C)C1CC1 2230a_100000226674_200011215008 [0,1,0,1,0,0|2,0,0]=4 5991 B12R1.841 CCCOC(=O)CN(C)C1CC1 269982a_100000226674_200011215008 [0,1,0,1,0,0|2,0,0]=4 5992 B12R1.841 CCOCC(=O)CC(=O)C1CC1 1458a_100000211967_100000746382 [0,1,0,1,0,0|0,0,0]=2 5993 B12R1.841 CCSCC(=O)CC(=O)C1CC1 1458a_100000230394_100000746382 [0,1,0,1,0,0|0,1,0]=3 5994 B12R1.841 COC=CC(=O)CC(=O)C1CC1 1458a_100016268678_100000746382 [0,1,0,1,0,0|1,0,1]=4 5995 B12R1.841 COCCC(=O)CC(=O)C1CC1 1458a_100000749529_100000746382 [0,1,0,1,0,0|1,0,0]=3 5996 B12R1.841 CSCCC(=O)CC(=O)C1CC1 1458a_100000174002_100000746382 [0,1,0,1,0,0|1,0,0]=3 5997 B12R1.841 N#CCCC(=O)CC(=O)C1CC1 1458a_100011934036_100000746382 [0,1,0,1,0,0|1,0,1]=4 5998 B12R1.841 N#CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000736037 [0,1,0,1,0,0|1,0,1]=4 5999 B12R1.841 O=C(C#CCO)CC(=O)C1CC1 1458a_100000049017_100000746382 [0,1,0,1,0,0|1,0,1]=4 6000 B12R1.1589 CCCC(=O)C1C(=O)NN=C1C 1458a_100000211992_200009843013 [0,1,0,1,0,0|1,0,1]=4 6001 B12R1.1618 CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210303 [0,1,0,1,0,0|0,0,2]=4 6002 B12R1.1621 CCOC(=O)CC1CC(C1)OC 7a_100010742785_200000210301 [0,1,0,1,0,0|1,0,1]=4 6003 B12R1.1621 CCOC(=O)CC1CC(C1)O[13CH3] 7a_100010742785_200025704644 [0,1,0,1,0,0|1,0,1]=4 6004 B12R1.1621 CCOC(=O)CN1CC(C1)CC 2230a_100015205115_100000188475 [0,1,0,1,0,0|2,0,0]=4 6005 B12R1.1621 CCOC(=O)CN1CC(C1)CC 269982a_100015205115_100000188475 [0,1,0,1,0,0|2,0,0]=4 6006 B12R1.1621 CCOC(=O)CN1CC(C1)CF 269982a_100010363649_100000188475 [0,1,0,1,0,0|2,0,0]=4 6007 B12R1.1621 CCOC(=O)CN1CC(C1)CF 34a_100010363649_100000188475 [0,1,0,1,0,0|2,0,0]=4 6008 B12R1.1621 CCOC(=O)CN1CC(C1)CO 269982a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 6009 B12R1.1621 CCOC(=O)CN1CC(C1)CO 34a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 6010 B12R1.1621 CCOC(=O)CN1CC(C1)OC 269982a_100000755009_100000188475 [0,1,0,1,0,0|2,0,0]=4 6011 B12R1.1621 CCOC(=O)CN1CC(C1)SC 269982a_100016990038_100000188475 [0,1,0,1,0,0|2,0,0]=4 6012 B12R1.2044 CCOCC(=O)CC1(CCC1)C 1458a_100000211967_100000726658 [0,1,0,1,0,0|1,0,1]=4 6013 B12R1.55 CCOC(=O)C(C)N1CCCC1 2230a_100000188435_100011215307 [0,1,0,1,0,0|2,0,0]=4 6014 B12R1.55 CCOC(=O)C(C)N1CCCC1 269982a_100000188435_100011216346 [0,1,0,1,0,0|2,0,0]=4 6015 B12R1.55 CCOC(=O)C(F)N1CCCC1 2230a_100000188435_100000760018 [0,1,0,1,0,0|2,0,0]=4 6016 B12R1.55 CCOC(=O)C(F)N1CCCC1 269982a_100000188435_100000760018 [0,1,0,1,0,0|2,0,0]=4 6017 B12R1.558 CCOC(=O)C(C)N1CC(C1)C 2230a_100000702820_100011215307 [0,1,0,1,0,0|2,0,0]=4 6018 B12R1.558 CCOC(=O)C(C)N1CC(C1)C 269982a_100000702820_100011216346 [0,1,0,1,0,0|2,0,0]=4 6019 B12R1.558 CCOC(=O)C(C)N1CC(C1)C 34a_100000702820_100011216346 [0,1,0,1,0,0|2,0,0]=4 6020 B12R1.558 CCOC(=O)C(F)N1CC(C1)C 2230a_100000702820_100000760018 [0,1,0,1,0,0|2,0,0]=4 6021 B12R1.558 CCOC(=O)C(F)N1CC(C1)C 269982a_100000702820_100000760018 [0,1,0,1,0,0|2,0,0]=4 6022 B12R1.558 CCOC(=O)C(F)N1CC(C1)C 34a_100000702820_100000760018 [0,1,0,1,0,0|2,0,0]=4 6023 B12R1.1446 CCNC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000230173 [0,1,0,1,0,0|1,0,0]=3 6024 B12R1.1446 CCNC(=O)C(C)C(=O)C1CO1 1458a_100000701028_100000230173 [0,1,0,1,0,0|2,0,0]=4 6025 B12R1.1446 CCOC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100011216346 [0,1,0,1,0,0|0,0,0]=2 6026 B12R1.1446 CCOC(=O)C(C)C(=O)C1CO1 1458a_100000701028_100011216346 [0,1,0,1,0,0|1,0,0]=3 6027 B12R1.1446 CCOC(=O)C(C)N(C)C1CC1 2230a_100000226674_100011215307 [0,1,0,1,0,0|2,0,0]=4 6028 B12R1.1446 CCOC(=O)C(C)N(C)C1CC1 269982a_100000226674_100011216346 [0,1,0,1,0,0|2,0,0]=4 6029 B12R1.1446 CCOC(=O)C(F)C(=O)C1CC1 1458a_100000210395_100000760018 [0,1,0,1,0,0|0,0,0]=2 6030 B12R1.1446 CCOC(=O)C(F)C(=O)C1CO1 1458a_100000701028_100000760018 [0,1,0,1,0,0|1,0,0]=3 6031 B12R1.1446 CCOC(=O)C(F)N(C)C1CC1 2230a_100000226674_100000760018 [0,1,0,1,0,0|2,0,0]=4 6032 B12R1.1446 CCOC(=O)C(F)N(C)C1CC1 269982a_100000226674_100000760018 [0,1,0,1,0,0|2,0,0]=4 6033 B12R1.134 CCCN(CC)C1CCOC1=O 2230a_100000226822_100000211211 [0,1,0,1,0,0|2,0,0]=4 6034 B12R1.134 CCCN(CC)C1CCOC1=O 269982a_100000226822_100000211211 [0,1,0,1,0,0|2,0,0]=4 6035 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,1,0,1,0,0|2,0,0]=4 6036 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,1,0,1,0,0|2,0,0]=4 6037 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [0,1,0,1,0,0|2,0,0]=4 6038 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,1,0,1,0,0|0,0,2]=4 6039 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,1,0,1,0,0|0,0,2]=4 6040 B12R1.2046 CCOC(=O)CC(OC)C1CC1 7a_100000695011_200000210301 [0,1,0,1,0,0|0,0,2]=4 6041 B12R1.2046 CCOC(=O)CC(O[13CH3])C1CC1 7a_100000695011_200025704644 [0,1,0,1,0,0|0,0,2]=4 6042 B12R1.2046 CCOC(=O)CN(CC)C1CC1 2230a_100000220965_100000210202 [0,1,0,1,0,0|2,0,0]=4 6043 B12R1.2046 CCOC(=O)CN(CC)C1CC1 2230a_100000738653_100000188475 [0,1,0,1,0,0|2,0,0]=4 6044 B12R1.2046 CCOC(=O)CN(CC)C1CC1 269982a_100000220607_100000211595 [0,1,0,1,0,0|2,0,0]=4 6045 B12R1.2046 CCOC(=O)CN(CC)C1CC1 269982a_100000738653_100000188475 [0,1,0,1,0,0|2,0,0]=4 6046 B12R1.108 CCC(C)C(=O)CC1=CCCC1 1458a_100000050221_100000758301 [0,1,0,1,0,0|2,0,0]=4 6047 B12R1.108 CCC(C)C(=O)CC1CCCO1 1458a_100011192722_100000203698 [0,1,0,1,0,0|1,0,1]=4 6048 B12R1.108 CCC(C)C(=O)CC1OCCO1 1458a_100011192722_100000755774 [0,1,0,1,0,0|0,0,2]=4 6049 B12R1.108 CCC(O)C(=O)CC1CCCO1 1458a_100011196387_100000203698 [0,1,0,1,0,0|1,0,1]=4 6050 B12R1.108 CCC(O)C(=O)CC1OCCO1 1458a_100011196387_100000755774 [0,1,0,1,0,0|0,0,2]=4 6051 B12R1.108 CCN(C)C(=O)CC1=CCCC1 11a_100000225621_100000050221 [0,1,0,1,0,0|2,0,0]=4 6052 B12R1.108 CCN(C)C(=O)CC1=CCCC1 1626a_100000225621_100000050221 [0,1,0,1,0,0|2,0,0]=4 6053 B12R1.108 CCN(C)C(=O)CC1=CCCC1 240690a_100000225621_100000050221 [0,1,0,1,0,0|2,0,0]=4 6054 B12R1.108 CCN(C)C(=O)CC1=CCCC1 527a_100000225621_100000050221 [0,1,0,1,0,0|2,0,0]=4 6055 B12R1.468 C/C=C(\C)/C(=O)C1CCCC1=O 1458a_100020587367_100000211823 [0,1,0,1,0,0|1,0,1]=4 6056 B12R1.468 C/C=C(\C)/C(=O)C1CCOC1=O 1458a_100020587367_100000211211 [0,1,0,1,0,0|0,0,2]=4 6057 B12R1.468 C=CC(C)C(=O)C1CCOC1=O 1458a_100011216780_100000211211 [0,1,0,1,0,0|0,0,2]=4 6058 B12R1.468 CC(C#N)C(=O)C1CCOC1=O 1458a_100000753662_100000211211 [0,1,0,1,0,0|1,0,1]=4 6059 B12R1.468 CCC(C)C(=O)C1CCCC1=O 1458a_100011192722_100000211823 [0,1,0,1,0,0|1,0,0]=3 6060 B12R1.468 CCC(C)C(=O)C1CCOC1=O 1458a_100011192722_100000211211 [0,1,0,1,0,0|0,0,0]=2 6061 B12R1.468 CCC(C)N(C)C1CCOC1=O 2230a_100000741768_100000211211 [0,1,0,1,0,0|2,0,0]=4 6062 B12R1.468 CCC(C)N(C)C1CCOC1=O 269982a_100000741768_100000211211 [0,1,0,1,0,0|2,0,0]=4 6063 B12R1.468 CCC(O)C(=O)C1CCCC1=O 1458a_100011196387_100000211823 [0,1,0,1,0,0|1,0,0]=3 6064 B12R1.468 CCC(O)C(=O)C1CCOC1=O 1458a_100011196387_100000211211 [0,1,0,1,0,0|0,0,0]=2 6065 B12R1.468 CNC(=O)C(=O)C1CCCC1=O 1458a_100011218921_100000211823 [0,1,0,1,0,0|2,0,0]=4 6066 B12R1.468 CNC(=O)C(=O)C1CCOC1=O 1458a_100011218921_100000211211 [0,1,0,1,0,0|1,0,1]=4 6067 B12R1.468 COC(C)C(=O)C1CCCC1=O 1458a_100000743197_100000211823 [0,1,0,1,0,0|2,0,0]=4 6068 B12R1.468 COC(C)C(=O)C1CCOC1=O 1458a_100000743197_100000211211 [0,1,0,1,0,0|1,0,0]=3 6069 B12R1.468 CSC(C)C(=O)C1CCCC1=O 1458a_100000149566_100000211823 [0,1,0,1,0,0|2,0,0]=4 6070 B12R1.468 CSC(C)C(=O)C1CCOC1=O 1458a_100000149566_100000211211 [0,1,0,1,0,0|1,0,0]=3 6071 B12R1.468 O=C1CCCC1C(=O)C(O)CO 1458a_100011215603_100000211823 [0,1,0,1,0,0|2,0,0]=4 6072 B12R1.468 O=C1OCCC1C(=O)C(O)CO 1458a_100011215603_100000211211 [0,1,0,1,0,0|1,0,0]=3 6073 B12R1.520 C=COC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000036128 [0,1,0,1,0,0|0,0,2]=4 6074 B12R1.520 C=COC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000036128 [0,1,0,1,0,0|0,0,2]=4 6075 B12R1.520 C=COC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000036128 [0,1,0,1,0,0|0,0,2]=4 6076 B12R1.520 CC1(CC1)C(=O)CC(=O)NCO 1458a_100000756474_100000185155 [0,1,0,1,0,0|2,0,0]=4 6077 B12R1.520 CCCC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000747444 [0,1,0,1,0,0|1,0,0]=3 6078 B12R1.520 CCCC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000747444 [0,1,0,1,0,0|1,0,0]=3 6079 B12R1.520 CCCC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000747444 [0,1,0,1,0,0|1,0,0]=3 6080 B12R1.520 CCNC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000183381 [0,1,0,1,0,0|1,0,0]=3 6081 B12R1.520 CCNC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000183381 [0,1,0,1,0,0|1,0,0]=3 6082 B12R1.520 CCNC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000183381 [0,1,0,1,0,0|1,0,0]=3 6083 B12R1.520 CCOC(=O)CC(=O)C1(CC1)C 1458a_100000756474_100000188475 [0,1,0,1,0,0|0,0,0]=2 6084 B12R1.520 CCOC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000188475 [0,1,0,1,0,0|0,0,0]=2 6085 B12R1.520 CCOC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000188475 [0,1,0,1,0,0|0,0,0]=2 6086 B12R1.520 O=C(CC(=O)C1(CC1)F)NCO 1458a_100000055089_100000185155 [0,1,0,1,0,0|2,0,0]=4 6087 B12R1.520 O=C(CC(=O)C1(CC1)O)NCO 1458a_100000241761_100000185155 [0,1,0,1,0,0|2,0,0]=4 6088 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000137746_100000210303 [0,1,0,1,0,0|1,0,0]=3 6089 B12R1.1579 CCCC(=O)C1CCN(C1=O)C 1458a_100000211992_100000755940 [0,1,0,1,0,0|1,0,0]=3 6090 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 11a_100015525214_100000137746 [0,1,0,1,0,0|2,0,0]=4 6091 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 240690a_100015525214_100000137746 [0,1,0,1,0,0|2,0,0]=4 6092 B12R1.1579 CCNC(=O)C1CCN(C1=O)C 527a_100015525214_100000137746 [0,1,0,1,0,0|2,0,0]=4 6093 B12R1.1579 CN1CCC(C1=O)C(=O)CCF 1458a_100000137746_100011217306 [0,1,0,1,0,0|2,0,0]=4 6094 B12R1.1579 CN1CCC(C1=O)C(=O)CCO 1458a_100000137746_100000211926 [0,1,0,1,0,0|2,0,0]=4 6095 B12R1.1579 CN1CCC(C1=O)C(=O)CCO 1458a_100011216618_100000755940 [0,1,0,1,0,0|2,0,0]=4 6096 B12R1.1579 COCC(=O)C1CCN(C1=O)C 1458a_100000210968_100000755940 [0,1,0,1,0,0|2,0,0]=4 6097 B12R1.1579 CSCC(=O)C1CCN(C1=O)C 1458a_100000184570_100000755940 [0,1,0,1,0,0|2,0,0]=4 6098 B12R1.1687 C/C=C(\C)/C(=O)CC(=O)C1CC1 1458a_100020587367_100000746382 [0,1,0,1,0,0|1,0,1]=4 6099 B12R1.1687 CCC(C)C(=O)CC(=O)C1CC1 1458a_100011192722_100000746382 [0,1,0,1,0,0|1,0,0]=3 6100 B12R1.1687 CCC(O)C(=O)CC(=O)C1CC1 1458a_100011196387_100000746382 [0,1,0,1,0,0|1,0,0]=3 6101 B12R1.1687 CCN(C)C(=O)CC(=O)C1CC1 1458a_100000210395_100011894763 [0,1,0,1,0,0|1,0,0]=3 6102 B12R1.1687 CCN(C)C(=O)CC(=O)C1CO1 1458a_100000701028_100011894763 [0,1,0,1,0,0|2,0,0]=4 6103 B12R1.1687 CNC(=O)C(=O)CC(=O)C1CC1 1458a_100011218921_100000746382 [0,1,0,1,0,0|2,0,0]=4 6104 B12R1.1687 COC(C)C(=O)CC(=O)C1CC1 1458a_100000743197_100000746382 [0,1,0,1,0,0|2,0,0]=4 6105 B12R1.1687 CON(C)C(=O)CC(=O)C1CC1 1458a_100000210395_100000764215 [0,1,0,1,0,0|2,0,0]=4 6106 B12R1.1687 CSC(C)C(=O)CC(=O)C1CC1 1458a_100000149566_100000746382 [0,1,0,1,0,0|2,0,0]=4 6107 B12R1.1687 O=C(CC(=O)C1CC1)C(O)CO 1458a_100011215603_100000746382 [0,1,0,1,0,0|2,0,0]=4 6108 B12R1.3348 CCO[Si](C)(C)CC(=O)C1CC1 1458a_100000210395_200000065227 [0,1,0,1,0,0|1,1,0]=4 6109 B12R2.10 O=C1OCCC1N2CCCC2 2230a_100000188435_100000211211 [0,0,0,2,0,0|2,0,0]=4 6110 B12R2.10 O=C1OCCC1N2CCCC2 269982a_100000188435_100000211211 [0,0,0,2,0,0|2,0,0]=4 6111 B12R2.1423 O=C(CC1CCCO1)C2CC2 1458a_100000210395_100000203698 [0,0,0,2,0,0|1,0,1]=4 6112 B12R2.1423 O=C(CC1OCCO1)C2CC2 1458a_100000210395_100000755774 [0,0,0,2,0,0|0,0,2]=4 6113 B12R2.111 CC1CN(C1)C2CCOC2=O 2230a_100000702820_100000211211 [0,0,0,2,0,0|2,0,0]=4 6114 B12R2.111 CC1CN(C1)C2CCOC2=O 269982a_100000702820_100000211211 [0,0,0,2,0,0|2,0,0]=4 6115 B12R2.111 CC1CN(C1)C2CCOC2=O 34a_100000702820_100000211211 [0,0,0,2,0,0|2,0,0]=4 6116 B12R2.2372 CN(C1CC1)C2CCOC2=O 2230a_100000226674_100000211211 [0,0,0,2,0,0|2,0,0]=4 6117 B12R2.2372 CN(C1CC1)C2CCOC2=O 269982a_100000226674_100000211211 [0,0,0,2,0,0|2,0,0]=4 6118 B12R2.2372 O=C1CCCC1C(=O)C2CC2 1458a_100000210395_100000211823 [0,0,0,2,0,0|1,0,0]=3 6119 B12R2.2372 O=C1CCCC1C(=O)C2CO2 1458a_100000701028_100000211823 [0,0,0,2,0,0|2,0,0]=4 6120 B12R2.2372 O=C1OCCC1C(=O)C2CC2 1458a_100000210395_100000211211 [0,0,0,2,0,0|0,0,0]=2 6121 B12R2.2372 O=C1OCCC1C(=O)C2CO2 1458a_100000701028_100000211211 [0,0,0,2,0,0|1,0,0]=3 6122 B12R2.7420 O=C(CC(=O)C1CC1)C2CC2 1458a_100000210395_100000746382 [0,0,0,2,0,0|1,0,0]=3 6123 B12R2.7420 O=C(CC(=O)C1CO1)C2CC2 1458a_100000701028_100000746382 [0,0,0,2,0,0|2,0,0]=4 6124 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,0,0,1,0|1,0,1]=4 6125 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,0,0,0,1,0|2,0,0]=4 6126 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,0,0,0,1,0|2,0,0]=4 6127 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,0,0,0,1,0|2,0,0]=4 6128 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,0,0,0,1,0|2,0,0]=4 6129 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,0,0,0,1,0|2,0,0]=4 6130 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,0,0,0,1,0|2,0,0]=4 6131 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,0,0,0,1,0|1,0,1]=4 6132 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,0,0,0,1,0|1,0,0]=3 6133 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,0,0,0,1,0|1,0,1]=4 6134 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,0,0,0,1,0|1,0,1]=4 6135 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,0,0,0,1,0|1,0,1]=4 6136 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,0,0,1,0|0,0,2]=4 6137 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,0,0,0,1,0|2,0,0]=4 6138 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,0,0,0,1,0|2,0,0]=4 6139 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,0,0,0,1,0|2,0,0]=4 6140 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,0,0,0,1,0|2,0,0]=4 6141 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,0,0,0,1,0|1,0,1]=4 6142 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,0,0,0,1,0|1,0,1]=4 6143 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6144 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6145 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6146 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,0,0,0,1,0|2,0,0]=4 6147 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,0,0,0,1,0|0,0,2]=4 6148 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,0,0,0,1,0|1,0,0]=3 6149 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [1,0,0,0,1,0|2,0,0]=4 6150 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [1,0,0,0,1,0|2,0,0]=4 6151 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [1,0,0,0,1,0|2,0,0]=4 6152 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [1,0,0,0,1,0|2,0,0]=4 6153 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [1,0,0,0,1,0|2,0,0]=4 6154 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [1,0,0,0,1,0|2,0,0]=4 6155 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,0,0,0,1,0|1,0,0]=3 6156 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,0,0,0,1,0|1,0,0]=3 6157 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,0,0,0,1,0|1,0,0]=3 6158 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,0,0,0,1,0|1,0,0]=3 6159 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,0,0,0,1,0|1,0,0]=3 6160 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,0,0,0,1,0|1,0,0]=3 6161 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,0,0,0,1,0|1,0,1]=4 6162 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [1,0,0,0,1,0|2,0,0]=4 6163 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,0,0,0,1,0|2,0,0]=4 6164 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,0,0,0,1,0|1,0,0]=3 6165 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,0,0,0,1,0|1,0,0]=3 6166 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,0,0,0,1,0|1,0,0]=3 6167 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,0,0,0,1,0|1,0,0]=3 6168 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,0,0,0,1,0|1,0,0]=3 6169 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,0,0,0,1,0|1,0,0]=3 6170 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000184674 [0,0,0,0,0,2|0,0,2]=4 6171 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100011220946_100011215271 [0,0,0,0,0,2|0,0,2]=4 6172 B12R0.285 C#CCC(=O)CCNC(=O)OCC 1458a_100011220946_200011445536 [0,0,0,0,0,2|0,0,2]=4 6173 B12R0.285 C#CCC(=O)NCCC(=O)OCC 188690a_100000746078_100011220946 [0,0,0,0,0,2|0,0,2]=4 6174 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210193_100011215271 [0,0,0,0,0,2|0,0,2]=4 6175 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210623 [0,0,0,0,0,2|0,0,2]=4 6176 B12R0.285 C=CCC(=O)CCNC(=O)OCC 1458a_100000210193_200011445536 [0,0,0,0,0,2|0,0,2]=4 6177 B12R0.285 C=CCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210193 [0,0,0,0,0,2|0,0,2]=4 6178 B12R0.285 C=COC(=O)CSCC(=O)CCC 62a_100000036128_100000747444 [0,0,0,0,0,2|0,0,2]=4 6179 B12R0.285 C=COC(=O)CSCC(=O)CCC 62a_100000747444_100000036128 [0,0,0,0,0,2|0,0,2]=4 6180 B12R0.285 CC#CC(=O)CCCC(=O)OCC 1458a_100000763181_100011215271 [0,0,0,0,0,2|0,0,2]=4 6181 B12R0.285 CC#CC(=O)CCNC(=O)OCC 1458a_100000763181_200011445536 [0,0,0,0,0,2|0,0,2]=4 6182 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,0,0,0,0,2|0,0,2]=4 6183 B12R0.285 CC=CC(=O)CCNC(=O)OCC 1458a_100000210699_200011445536 [0,0,0,0,0,2|0,0,2]=4 6184 B12R0.285 CC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000210699 [0,0,0,0,0,2|0,0,2]=4 6185 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,0,0,0,0,2|1,0,0]=3 6186 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,0,0,0,0,2|0,0,0]=2 6187 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,0,0,0,0,2|0,0,0]=2 6188 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,0,0,0,0,2|0,0,0]=2 6189 B12R0.285 CCCC(=O)CCSC(=S)NCC 1458a_200009862762_100000210303 [0,0,0,0,0,2|1,1,0]=4 6190 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,0,0,0,0,2|1,0,0]=3 6191 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,0,0,0,0,2|1,0,0]=3 6192 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,0,0,0,0,2|1,0,0]=3 6193 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,0,0,0,0,2|1,0,0]=3 6194 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000185155_100000747444 [0,0,0,0,0,2|2,0,0]=4 6195 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000747444_100000185155 [0,0,0,0,0,2|2,0,0]=4 6196 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,0,0,0,0,2|0,0,0]=2 6197 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,0,0,0,0,2|0,0,0]=2 6198 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,0,0,0,0,2|1,0,0]=3 6199 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,0,0,0,0,2|1,0,0]=3 6200 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,0,0,0,0,2|1,0,0]=3 6201 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,0,0,0,0,2|1,0,0]=3 6202 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,0,0,0,0,2|0,0,0]=2 6203 B12R0.285 CCCC(=O)NN=CC(=O)OCC 4a_100000189770_100000742314 [0,0,0,0,0,2|0,0,1]=3 6204 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,0,0,0,0,2|1,0,1]=4 6205 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,0,0,0,0,2|1,0,1]=4 6206 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,0,0,0,0,2|1,0,1]=4 6207 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,0,0,0,0,2|1,0,1]=4 6208 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,0,0,0,0,2|1,0,1]=4 6209 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,0,0,0,0,2|1,0,1]=4 6210 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,0,0,0,0,2|1,0,1]=4 6211 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,0,0,0,0,2|1,0,1]=4 6212 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,0,0,0,0,2|1,0,1]=4 6213 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,0,0,0,0,2|1,0,1]=4 6214 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 2230a_100000747261_100016267167 [0,0,0,0,0,2|2,0,0]=4 6215 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 269982a_100000747261_100016267167 [0,0,0,0,0,2|2,0,0]=4 6216 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,0,0,0,0,2|2,0,0]=4 6217 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,0,0,0,0,2|2,0,0]=4 6218 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,0,0,0,0,2|2,0,0]=4 6219 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,0,0,0,0,2|1,0,1]=4 6220 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,0,0,0,0,2|2,0,0]=4 6221 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,0,0,0,0,2|2,0,0]=4 6222 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,0,0,0,0,2|2,0,0]=4 6223 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,0,0,0,0,2|2,0,0]=4 6224 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,0,0,0,0,2|2,0,0]=4 6225 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,0,0,0,0,2|1,0,0]=3 6226 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,0,0,0,0,2|1,0,0]=3 6227 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,0,0,0,0,2|1,0,0]=3 6228 B12R0.285 CCNC(=O)CCNC(=O)CCO 240690a_100025743525_100011216618 [0,0,0,0,0,2|2,0,0]=4 6229 B12R0.285 CCNC(=O)CCNC(=O)COC 11a_100025743525_100000210968 [0,0,0,0,0,2|2,0,0]=4 6230 B12R0.285 CCNC(=O)CCNC(=O)COC 1626a_100025743525_100000210968 [0,0,0,0,0,2|2,0,0]=4 6231 B12R0.285 CCNC(=O)CCNC(=O)COC 240690a_100025743525_100000210968 [0,0,0,0,0,2|2,0,0]=4 6232 B12R0.285 CCNC(=O)CCNC(=O)COC 527a_100025743525_100000210968 [0,0,0,0,0,2|2,0,0]=4 6233 B12R0.285 CCNC(=O)CCNC(=O)CSC 11a_100025743525_100000184570 [0,0,0,0,0,2|2,0,0]=4 6234 B12R0.285 CCNC(=O)CCNC(=O)CSC 1626a_100025743525_100000184570 [0,0,0,0,0,2|2,0,0]=4 6235 B12R0.285 CCNC(=O)CCNC(=O)CSC 240690a_100025743525_100000184570 [0,0,0,0,0,2|2,0,0]=4 6236 B12R0.285 CCNC(=O)CCNC(=O)CSC 527a_100025743525_100000184570 [0,0,0,0,0,2|2,0,0]=4 6237 B12R0.285 CCNC(=O)CCNC(=O)NCC 2708a_100015525214_100025743525 [0,0,0,0,0,2|2,0,0]=4 6238 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100015525214_100025743525 [0,0,0,0,0,2|2,0,0]=4 6239 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100025743525_100015525214 [0,0,0,0,0,2|2,0,0]=4 6240 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100015525214_100025743525 [0,0,0,0,0,2|2,0,0]=4 6241 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100025743525_100015525214 [0,0,0,0,0,2|2,0,0]=4 6242 B12R0.285 CCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000183381 [0,0,0,0,0,2|2,0,0]=4 6243 B12R0.285 CCNC(=O)CNCC(=O)OCC 2230a_100016988866_100000188475 [0,0,0,0,0,2|1,0,0]=3 6244 B12R0.285 CCNC(=O)CSCC(=O)NCC 62a_100000183381_100000183381 [0,0,0,0,0,2|2,0,0]=4 6245 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000183381_100000188475 [0,0,0,0,0,2|1,0,0]=3 6246 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183381 [0,0,0,0,0,2|1,0,0]=3 6247 B12R0.285 CCOC(=O)C=NNC(=O)COC 4a_100000216845_100000742314 [0,0,0,0,0,2|1,0,1]=4 6248 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100000210991_100011214920 [0,0,0,0,0,2|1,0,1]=4 6249 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215271 [0,0,0,0,0,2|1,0,1]=4 6250 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,0,0,0,0,2|1,0,0]=3 6251 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,0,0,0,0,2|1,0,0]=3 6252 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,0,0,0,0,2|1,0,0]=3 6253 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,0,0,0,0,2|1,0,0]=3 6254 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,0,0,0,0,2|1,0,0]=3 6255 B12R0.285 CCOC(=O)CCCC(=O)NNC 22a_100016993582_100000210991 [0,0,0,0,0,2|2,0,0]=4 6256 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,0,0,0,0,2|1,0,0]=3 6257 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,0,0,0,0,2|1,0,0]=3 6258 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000185155_100000188475 [0,0,0,0,0,2|2,0,0]=4 6259 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000188475_100000185155 [0,0,0,0,0,2|2,0,0]=4 6260 B12R0.285 CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000188475 [0,0,0,0,0,2|1,0,0]=3 6261 B12R0.285 CCOC(=O)NCCC(=O)CC#N 1458a_100051588842_200011445536 [0,0,0,0,0,2|1,0,1]=4 6262 B12R0.285 CCOC(=O)NCCC(=O)CCO 1458a_100011216618_200011445536 [0,0,0,0,0,2|1,0,0]=3 6263 B12R0.285 CCOC(=O)NCCC(=O)COC 1458a_100000210968_200011445536 [0,0,0,0,0,2|1,0,0]=3 6264 B12R0.285 CCOC(=O)NCCC(=O)CSC 1458a_100000184570_200011445536 [0,0,0,0,0,2|1,0,0]=3