0 B9R0.5 C#CCC(=O)C/C=C/CC 1458a_100016274230_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 C#CCC(=O)C/C=C\CC 1458a_100011220946_100103147603 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,0,0,0,0,0|1,0,3]=4 5 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.5 C/C=C/C=CC(=O)CCF 1458a_100000185730_100011217306 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.5 C/C=C/C=CC(=O)CCO 1458a_100000185730_100000211926 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,0,0,0,0,0|1,0,3]=4 14 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,0,0,0,0,0|1,0,3]=4 15 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,0,0,0,0,0|1,0,3]=4 16 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,0,0,0,0,0|1,0,3]=4 17 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,0,0,0,0,0|1,0,3]=4 18 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,0,0,0,0,0|1,0,3]=4 19 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,0,0,0,0,0|1,0,1]=2 21 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,0,0,0,0,0|1,0,3]=4 23 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.5 CC/C=C/CC(=O)CC#N 1458a_100016274230_100011214920 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,0,0,0,0,0|1,0,0]=1 27 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,0,0,0,0,0|1,0,0]=1 30 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,0,0,0,0,0|1,0,0]=1 31 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,0,0,0,0,0|1,0,0]=1 32 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.5 CC/C=C\CC(=O)C=CBr 1458a_100016273825_100103147603 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.5 CC/C=C\CC(=O)C=CCl 1458a_200016279998_100103147603 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.5 CC/C=C\CC(=O)C=CI 1458a_100016256311_100103147603 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.5 CC/C=C\CC(=O)CC#N 1458a_100051588842_100103147603 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,0,0,0,0,0|1,0,0]=1 38 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,0,0,0,0,0|2,0,0]=2 40 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,0,0,0,0,0|2,0,0]=2 41 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,0,0,0,0,0|1,0,1]=2 46 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,0,0,0,0,0|1,0,3]=4 47 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,0,0,0,0,0|1,0,3]=4 48 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,0,0,0,0,0|1,0,2]=3 51 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.5 CCC#CCC(C)OCC 34a_200000035118_100000210202 [0,0,0,0,0,0|1,0,3]=4 55 B9R0.5 CCC#CCC(C)OCC 7a_200000035118_100000210202 [0,0,0,0,0,0|1,0,3]=4 56 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,0,0,0,0,0|3,0,0]=3 57 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,0,0,0,0,0|1,0,3]=4 59 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,0,0,0,0,0|1,0,3]=4 60 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,0,0,0,0,0|2,0,1]=3 62 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,0,0,0,0,0|1,0,2]=3 87 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,0,0,0,0,0|1,0,2]=3 90 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,0,0,0,0,0|1,0,2]=3 91 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,0,0,0,0,0|1,0,2]=3 93 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,0,0,0,0,0|1,0,2]=3 94 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,0,0,0,0,0|2,0,2]=4 100 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,0,0,0,0,0|2,0,2]=4 101 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,0,0,0,0,0|2,0,2]=4 102 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,0,0,0,0,0|2,0,2]=4 103 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,0,0,0,0,0|2,0,2]=4 107 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,0,0,0,0,0|1,0,2]=3 108 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,0,0,0,0,0|1,0,2]=3 109 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,0,0,0,0,0|1,0,2]=3 110 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,0,0,0,0,0|1,0,3]=4 112 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,0,0,0,0,0|1,0,3]=4 113 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,0,0,0,0,0|1,0,3]=4 114 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 115 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,0,0,0,0,0|2,0,2]=4 122 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,0,0,0,0,0|2,0,2]=4 123 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,0,0,0,0,0|2,0,2]=4 124 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,0,0,0,0,0|2,0,1]=3 125 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,0,0,0,0,0|2,0,1]=3 130 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,0,0,0,0,0|2,0,1]=3 133 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,0,0,0,0,0|2,0,1]=3 134 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,0,0,0,0,0|2,0,1]=3 135 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,0,0,0,0,0|2,0,1]=3 136 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,0,0,0,0,0|1,0,1]=2 139 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,0,0,0,0,0|2,0,1]=3 140 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,0,0,0,0,0|2,0,1]=3 141 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,0,0,0,0,0|2,0,1]=3 142 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,0,0,0,0,0|2,0,1]=3 146 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,0,0,0,0,0|2,0,1]=3 147 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,0,0,0,0,0|2,0,1]=3 148 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,0,0,0,0,0|2,0,1]=3 149 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,0,0,0,0,0|1,0,1]=2 153 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,0,0,0,0,0|1,0,1]=2 154 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,0,0,0,0,0|2,0,2]=4 155 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,0,0,0,0,0|2,0,2]=4 156 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,0,0,0,0,0|2,0,1]=3 157 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,0,0,0,0,0|2,0,1]=3 158 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,0,0,0,0,0|2,0,1]=3 166 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,0,0,0,0,0|2,0,1]=3 167 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,0,0,0,0,0|2,0,1]=3 168 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,0,0,0,0,0|2,0,1]=3 169 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,0,0,0,0,0|2,0,1]=3 170 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,0,0,0,0,0|2,0,1]=3 171 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,0,0,0,0,0|2,0,1]=3 172 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,0,0,0,0,0|2,0,1]=3 173 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,0,0,0,0,0|3,0,1]=4 187 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,0,0,0,0,0|3,0,1]=4 188 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,0,0,0,0,0|3,0,1]=4 190 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,0,0,0,0,0|3,0,1]=4 191 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,0,0,0,0,0|3,0,1]=4 192 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,0,0,0,0,0|3,0,1]=4 193 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,0,0,0,0,0|2,0,1]=3 194 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,0,0,0,0,0|2,0,1]=3 195 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,0,0,0,0,0|1,0,1]=2 196 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,0,0,0,0,0|2,0,1]=3 197 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,0,0,0,0,0|1,0,2]=3 198 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,0,0,0,0,0|1,0,2]=3 199 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,0,0,0,0,0|1,0,2]=3 200 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,0,0,0,0,0|1,0,2]=3 201 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,0,0,0,0,0|1,0,2]=3 202 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,0,0,0,0,0|1,0,2]=3 203 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,0,0,0,0,0|1,0,2]=3 204 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,0,0,0,0,0|1,0,2]=3 205 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,0,0,0,0,0|1,0,2]=3 206 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,0,0,0,0,0|1,0,2]=3 207 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,0,0,0,0,0|1,0,2]=3 208 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,0,0,0,0,0|1,0,2]=3 209 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,0,0,0,0,0|1,0,2]=3 210 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,0,0,0,0,0|1,0,2]=3 211 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,0,0,0,0,0|1,0,2]=3 212 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,0,0,0,0,0|1,0,2]=3 213 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,0,0,0,0,0|1,0,2]=3 214 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,0,0,0,0,0|1,0,2]=3 215 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,0,0,0,0,0|1,0,1]=2 216 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,0,0,0,0,0|1,0,1]=2 217 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,0,0,0,0,0|2,0,1]=3 218 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,0,0,0,0,0|2,0,1]=3 219 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,0,0,0,0,0|2,0,1]=3 220 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,0,0,0,0,0|2,0,1]=3 221 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,0,0,0,0,0|2,0,1]=3 222 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,0,0,0,0,0|2,0,1]=3 223 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,0,0,0,0,0|2,0,1]=3 224 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,0,0,0,0,0|2,0,2]=4 225 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,0,0,0,0,0|2,0,2]=4 226 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,0,0,0,0,0|2,0,2]=4 227 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,0,0,0,0,0|2,0,2]=4 228 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,0,0,0,0,0|2,0,1]=3 229 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,0,0,0,0,0|2,0,1]=3 230 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,0,0,0,0,0|2,0,1]=3 231 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,0,0,0,0,0|2,0,1]=3 232 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,0,0,0,0,0|2,0,1]=3 233 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,0,0,0,0,0|2,0,1]=3 234 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,0,0,0,0,0|2,0,1]=3 235 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,0,0,0,0,0|2,0,1]=3 236 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,0,0,0,0,0|2,0,2]=4 237 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,0,0,0,0,0|2,0,2]=4 238 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,0,0,0,0,0|2,0,2]=4 239 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,0,0,0,0,0|2,0,2]=4 240 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,0,0,0,0,0|2,0,2]=4 241 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,0,0,0,0,0|2,0,1]=3 242 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,0,0,0,0,0|3,0,1]=4 243 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,0,0,0,0,0|3,0,1]=4 245 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,0,0,0,0,0|3,0,1]=4 247 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,0,0,0,0,0|3,0,1]=4 252 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,0,0,0,0,0|1,0,1]=2 253 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,0,0,0,0,0|3,0,1]=4 254 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,0,0,0,0,0|3,0,1]=4 255 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,0,0,0,0,0|3,0,1]=4 256 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,0,0,0,0,0|3,0,1]=4 257 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,0,0,0,0,0|3,0,1]=4 258 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,0,0,0,0,0|3,0,1]=4 259 B8R0.1 C#CCC(=O)C/C=C/C 1458a_100011220946_100102629194 [1,0,0,0,0,0|1,0,2]=4 260 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [1,0,0,0,0,0|1,0,2]=4 261 B8R0.1 C#CCC(=O)CC=CC 1458a_100011220946_100000070051 [1,0,0,0,0,0|1,0,2]=4 262 B8R0.1 C#CCC(=O)CC=CC 1458a_100121576822_100000184674 [1,0,0,0,0,0|1,0,2]=4 263 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [1,0,0,0,0,0|2,0,1]=4 265 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.1 C/C=C/CC(=O)CC#N 1458a_100051588842_100102629194 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|1,0,0]=2 268 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,0,0,0,0,0|2,0,0]=3 271 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,0,0,0,0|1,0,2]=4 273 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [1,0,0,0,0,0|1,0,2]=4 274 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [1,0,0,0,0,0|1,0,2]=4 275 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [1,0,0,0,0,0|1,0,2]=4 276 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [1,0,0,0,0,0|1,0,2]=4 277 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|1,0,2]=4 278 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|1,0,2]=4 279 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 280 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 282 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,0,0,0,0,0|1,0,2]=4 283 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,0,0,0,0,0|1,0,2]=4 284 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,0,0,0,0,0|1,0,2]=4 285 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,0,0,0,0,0|1,0,2]=4 286 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [1,0,0,0,0,0|1,0,1]=3 287 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [1,0,0,0,0,0|1,0,1]=3 288 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|1,0,2]=4 289 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,0,0,0,0|1,0,2]=4 290 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [1,0,0,0,0,0|1,0,1]=3 291 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [1,0,0,0,0,0|1,0,1]=3 294 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [1,0,0,0,0,0|2,0,1]=4 296 B8R0.1 CC=CCC(=O)CC#N 1458a_100051588842_100000070051 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.1 CC=CCC(=O)CC#N 1458a_100121576822_100011214920 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|1,0,0]=2 299 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|1,0,0]=2 300 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,0,0,0,0,0|2,0,0]=3 302 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,0,0,0,0,0|2,0,0]=3 303 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,0,0,0,0,0|2,0,0]=3 305 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|1,0,0]=2 306 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|1,0,0]=2 307 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|1,0,0]=2 308 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [1,0,0,0,0,0|2,0,0]=3 309 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [1,0,0,0,0,0|3,0,0]=4 310 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [1,0,0,0,0,0|3,0,0]=4 311 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,0,0,0,0,0|1,0,2]=4 312 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,0,0,0,0|1,0,0]=2 314 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,0,0,0,0,0|2,0,0]=3 315 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,0,0,0,0,0|2,0,0]=3 316 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,0,0,0,0,0|1,0,0]=2 317 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,0,0,0,0,0|1,0,0]=2 318 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [1,0,0,0,0,0|2,0,0]=3 319 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,0,0,0,0,0|2,0,0]=3 320 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|2,0,0]=3 327 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|2,0,0]=3 328 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|2,0,0]=3 329 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|2,0,0]=3 330 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|1,0,1]=3 335 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|1,0,1]=3 336 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|2,0,1]=4 337 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|2,0,1]=4 339 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|2,0,1]=4 340 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|2,0,1]=4 341 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 342 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 343 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 344 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,1]=4 345 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,0,0,0,0|1,0,2]=4 346 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,0,0,0,0|1,0,2]=4 347 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,0,0,0,0|1,0,2]=4 348 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,1]=4 358 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [1,0,0,0,0,0|2,0,0]=3 359 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,1]=4 360 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,1]=4 362 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 366 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,1]=4 373 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 374 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 375 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,0]=3 376 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 377 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 378 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 379 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 380 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,0]=3 381 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,0]=3 382 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,0,0,0,0,0|3,0,0]=4 383 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,0,0,0,0,0|3,0,0]=4 384 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,0]=3 385 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,0]=3 386 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|1,0,0]=2 388 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 389 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,0,0,0,0,0|3,0,0]=4 390 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 391 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|1,0,1]=3 392 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|1,0,1]=3 393 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|1,0,1]=3 394 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|1,0,1]=3 395 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|1,0,1]=3 396 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|1,0,1]=3 397 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|1,0,1]=3 398 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|1,0,1]=3 399 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|1,0,0]=2 400 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|1,0,0]=2 401 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,0,0,0,0,0|2,0,0]=3 402 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,0,0,0,0,0|2,0,0]=3 403 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|2,0,1]=4 404 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|2,0,1]=4 405 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|1,0,0]=2 410 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 411 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 412 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,0,0,0,0,0|3,0,0]=4 413 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,0,0,0,0,0|3,0,0]=4 414 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,0,0,0,0,0|3,0,0]=4 415 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,0,0,0,0,0|3,0,0]=4 416 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [1,0,0,0,0,0|3,0,0]=4 418 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [1,0,0,0,0,0|3,0,0]=4 419 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [1,0,0,0,0,0|3,0,0]=4 420 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,0,0,0,0|0,0,3]=4 421 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,1]=3 426 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|0,0,1]=2 427 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|0,0,1]=2 428 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|0,0,1]=2 429 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,0,0,0,0,0|1,0,1]=3 430 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,0,0,0,0,0|1,0,1]=3 431 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|0,1,1]=3 432 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|0,1,1]=3 433 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,0,0,0,0,0|1,1,1]=4 434 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,0,0,0,0,0|1,1,1]=4 435 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,0,0,0,0,0|3,0,0]=4 436 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|3,0,0]=4 437 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|3,0,0]=4 438 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|3,0,0]=4 439 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|2,0,0]=3 440 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|2,0,0]=3 441 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|3,0,0]=4 442 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|3,0,0]=4 443 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|3,0,0]=4 444 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|3,0,0]=4 445 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|2,0,0]=3 446 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|2,0,0]=3 447 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,0,0,0,0,0|3,0,0]=4 448 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,0,0,0,0,0|3,0,0]=4 449 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|3,0,0]=4 450 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|3,0,0]=4 451 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,0,0,0,0,0|3,0,0]=4 452 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,0,0,0,0,0|3,0,0]=4 453 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,0,0,0,0,0|3,0,0]=4 454 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,0,0,0,0,0|0,0,3]=4 456 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|0,0,3]=4 457 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|0,0,3]=4 458 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|0,0,3]=4 459 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 460 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 461 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,0,0,0,0,0|2,0,1]=4 462 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 463 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|0,0,3]=4 464 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 465 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|1,0,2]=4 466 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|1,0,2]=4 467 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|1,0,2]=4 468 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|1,0,2]=4 469 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|1,0,2]=4 470 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|1,0,2]=4 471 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|1,0,2]=4 472 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|1,0,2]=4 473 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|1,0,2]=4 474 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|1,0,2]=4 475 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|1,0,2]=4 476 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|1,0,2]=4 477 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|1,0,2]=4 478 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|1,0,2]=4 479 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|1,0,2]=4 480 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|1,0,2]=4 481 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|1,0,2]=4 482 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|1,0,2]=4 483 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|1,0,2]=4 484 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|1,0,2]=4 485 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|1,0,2]=4 486 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|1,0,2]=4 487 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [1,0,0,0,0,0|0,0,2]=3 488 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,0,0,0,0|0,0,2]=3 489 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [1,0,0,0,0,0|1,0,2]=4 490 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,0,0,0,0|1,0,2]=4 491 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,0,0,0,0|1,0,2]=4 492 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,0,0,0,0|1,0,2]=4 493 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [1,0,0,0,0,0|0,0,2]=3 494 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,0,0,0,0,0|0,0,0]=1 495 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [1,0,0,0,0,0|1,0,0]=2 496 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,0,0,0,0,0|1,0,0]=2 497 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,0,0,0,0,0|1,0,0]=2 498 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,0,0,0,0,0|1,0,0]=2 499 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,0,0,0,0,0|1,0,0]=2 500 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,0,0,0,0,0|0,0,0]=1 501 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,0,0,0,0,0|1,0,0]=2 502 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [1,0,0,0,0,0|2,0,0]=3 503 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [1,0,0,0,0,0|2,0,0]=3 504 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,0,0,0,0,0|0,0,2]=3 505 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,0,0,0,0,0|1,0,2]=4 506 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,0,0,0,0,0|1,0,2]=4 507 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [1,0,0,0,0,0|1,0,2]=4 508 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,0,0,0,0|1,0,2]=4 509 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,0,0,0,0|1,0,2]=4 510 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,0,0,0,0|1,0,2]=4 511 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,0,0,0,0|1,0,2]=4 512 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,0,0,0,0|1,0,2]=4 513 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,0,0,0,0|1,0,2]=4 514 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,0,0,0,0,0|2,0,1]=4 515 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,0,0,0,0|2,0,1]=4 516 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,0,0,0,0|2,0,1]=4 517 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,0,0,0,0,0|2,0,1]=4 518 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,0,0,0,0,0|2,0,1]=4 519 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,0,0,0,0,0|2,0,1]=4 520 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,0,0,0,0|2,0,1]=4 521 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,0,0,0,0|2,0,1]=4 522 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,0,0,0,0,0|2,0,1]=4 523 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,0,0,0,0,0|2,0,1]=4 524 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,0,0,0,0,0|2,0,1]=4 526 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,0,0,0,0,0|2,0,0]=3 527 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,0,0,0,0,0|0,0,3]=4 528 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,0,0,0,0,0|0,0,2]=3 529 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,0,0,0,0,0|1,0,2]=4 530 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,0,0,0,0,0|1,0,2]=4 531 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,0,0,0,0,0|1,0,2]=4 532 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,0,0,0,0,0|1,0,2]=4 533 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|0,0,2]=3 534 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|0,0,2]=3 535 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,0,0,0,0|1,0,2]=4 536 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|1,0,2]=4 537 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,0,0,0,0|1,0,2]=4 538 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,0,0,0,0|1,0,2]=4 539 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,0,0,0,0|1,0,2]=4 540 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,0,0,0,0|1,0,2]=4 541 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 542 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 543 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 544 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,0,0,0,0|1,0,2]=4 545 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,0,0,0,0,0|2,0,1]=4 546 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,0,0,0,0,0|2,0,1]=4 547 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,0,0,0,0|1,0,1]=3 548 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,0,0,0,0|1,0,1]=3 549 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,0,0,0,0,0|2,0,1]=4 550 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,0,0,0,0,0|2,0,1]=4 551 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,0,0,0,0,0|2,0,1]=4 552 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,0,0,0,0,0|2,0,1]=4 553 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,0,0,0,0,0|2,0,1]=4 554 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,0,0,0,0,0|2,0,1]=4 555 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,0,0,0,0,0|2,0,1]=4 556 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,0,0,0,0|1,0,1]=3 557 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,0,0,0,0|1,0,1]=3 558 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,0,0,0,0|1,0,1]=3 559 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,0,0,0,0|1,0,1]=3 560 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,0,0,0,0,0|2,0,1]=4 561 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,0,0,0,0,0|2,0,1]=4 562 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,0,0,0,0,0|2,0,1]=4 563 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,0,0,0,0,0|2,0,1]=4 564 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,0,0,0,0,0|2,0,1]=4 565 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,0,0,0,0,0|2,0,1]=4 566 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,0,0,0,0,0|2,0,1]=4 567 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,0,0,0,0|1,0,1]=3 568 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,0,0,0,0|1,0,1]=3 569 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,0,0,0,0,0|2,0,1]=4 571 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,0,0,0,0,0|2,0,1]=4 572 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,0,0,0,0|1,0,1]=3 573 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [1,0,0,0,0,0|2,0,1]=4 574 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,0,0,0,0,0|1,0,1]=3 575 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [1,0,0,0,0,0|2,0,1]=4 576 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [1,0,0,0,0,0|2,0,1]=4 577 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [1,0,0,0,0,0|2,0,1]=4 579 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,0,0,0,0|1,0,1]=3 580 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,0,0,0,0|1,0,1]=3 581 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,0,0,0,0,0|2,0,1]=4 582 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,0,0,0,0,0|2,0,1]=4 583 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,0,0,0,0,0|2,0,1]=4 584 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,0,0,0,0,0|2,0,1]=4 585 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,0,0,0,0,0|2,0,1]=4 586 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,0,0,0,0,0|2,0,1]=4 587 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,0,0,0,0,0|2,0,1]=4 588 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,0,0,0,0,0|2,0,1]=4 589 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,0,0,0,0|1,0,1]=3 590 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,0,0,0,0|1,0,1]=3 591 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,0,0,0,0|1,0,1]=3 592 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,0,0,0,0,0|2,0,1]=4 593 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,0,0,0,0,0|2,0,1]=4 594 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,0,0,0,0,0|2,0,1]=4 595 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,0,0,0,0,0|2,0,1]=4 596 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,0,0,0,0,0|2,0,1]=4 597 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,0,0,0,0,0|2,0,1]=4 598 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,0,0,0,0,0|2,0,1]=4 599 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,0,0,0,0,0|2,0,1]=4 600 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,0,0,0,0|1,0,1]=3 601 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,0,0,0,0|1,0,1]=3 602 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,0,0,0,0,0|2,0,1]=4 603 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,0,0,0,0,0|1,0,2]=4 604 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,0,0,0,0,0|1,0,2]=4 605 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,0,0,0,0,0|1,0,2]=4 606 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,0,0,0,0|1,0,2]=4 607 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,0,0,0,0|1,0,2]=4 608 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,0,0,0,0|1,0,2]=4 609 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,0,0,0,0,0|1,0,2]=4 610 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,0,0,0,0,0|1,0,2]=4 611 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,0,0,0,0,0|1,0,2]=4 612 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,0,0,0,0,0|1,0,2]=4 613 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,0,0,0,0|1,0,2]=4 614 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,0,0,0,0|1,0,2]=4 615 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,0,0,0,0|1,0,2]=4 616 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,0,0,0,0|1,0,2]=4 617 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,0,0,0,0,0|2,0,1]=4 618 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,0,0,0,0,0|2,0,1]=4 619 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,0,0,0,0,0|2,0,1]=4 620 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,0,0,0,0,0|2,0,1]=4 621 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,0,0,0,0,0|2,0,1]=4 622 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,0,0,0,0,0|2,0,1]=4 623 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,0,0,0,0,0|2,0,1]=4 624 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,0,0,0,0,0|2,0,1]=4 625 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,0,0,0,0,0|2,0,1]=4 626 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,0,0,0,0,0|2,0,1]=4 627 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,0,0,0,0,0|2,0,1]=4 628 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,0,0,0,0,0|2,0,1]=4 629 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,0,0,0,0,0|2,0,1]=4 630 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,0,0,0,0,0|1,0,2]=4 631 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,0,0,0,0|1,0,2]=4 632 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,0,0,0,0,0|2,0,1]=4 633 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,0,0,0,0,0|2,0,1]=4 634 B10R0.1 C#CCC(=O)C/C=C/CCC 1458a_200016266809_100000184674 [0,1,0,0,0,0|1,0,2]=4 635 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [0,1,0,0,0,0|1,0,2]=4 636 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,1,0,0,0,0|1,0,2]=4 637 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,1,0,0,0,0|1,0,2]=4 638 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,1,0,0,0,0|1,0,2]=4 639 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,1,0,0,0,0|1,0,2]=4 640 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,1,0,0,0,0|1,0,2]=4 641 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,1,0,0,0,0|1,0,2]=4 642 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,1,0,0,0,0|1,0,2]=4 643 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,1,0,0,0,0|1,0,2]=4 644 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,1,0,0,0,0|0,0,2]=3 645 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,1,0,0,0,0|1,0,2]=4 646 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,1,0,0,0,0|1,0,2]=4 647 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,1,0,0,0,0|1,0,2]=4 648 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,1,0,0,0,0|1,0,2]=4 649 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,1,0,0,0,0|0,0,2]=3 650 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,1,0,0,0,0|0,0,2]=3 651 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,1,0,0,0,0|1,0,2]=4 652 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,1,0,0,0,0|1,0,2]=4 653 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,1,0,0,0,0|1,0,2]=4 654 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,1,0,0,0,0|1,0,2]=4 655 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,1,0,0,0,0|1,0,2]=4 656 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,1,0,0,0,0|1,0,2]=4 657 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,1,0,0,0,0|1,0,2]=4 658 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,1,0,0,0,0|1,0,2]=4 659 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,1,0,0,0,0|1,0,2]=4 660 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,1,0,0,0,0|1,0,2]=4 661 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,1,0,0,0,0|1,0,1]=3 662 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,1,0,0,0,0|0,0,3]=4 663 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,1,0,0,0,0|0,0,3]=4 664 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,1,0,0,0,0|0,0,3]=4 665 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,1,0,0,0,0|0,0,3]=4 666 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,1,0,0,0,0|0,0,3]=4 667 B10R0.1 CC/C=C\CCC(=O)C=CBr 1458a_100016273825_100015370543 [0,1,0,0,0,0|2,0,1]=4 668 B10R0.1 CC/C=C\CCC(=O)C=CCl 1458a_200016279998_100015370543 [0,1,0,0,0,0|2,0,1]=4 669 B10R0.1 CC/C=C\CCC(=O)C=CI 1458a_100016256311_100015370543 [0,1,0,0,0,0|2,0,1]=4 670 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [0,1,0,0,0,0|2,0,1]=4 671 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,1,0,0,0,0|1,0,0]=2 672 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,1,0,0,0,0|2,0,0]=3 673 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,1,0,0,0,0|2,0,0]=3 674 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,1,0,0,0,0|2,0,0]=3 675 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [0,1,0,0,0,0|3,0,0]=4 677 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [0,1,0,0,0,0|2,0,1]=4 678 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [0,1,0,0,0,0|2,0,1]=4 679 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,1,0,0,0,0|1,0,1]=3 684 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,1,0,0,0,0|1,0,2]=4 685 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,1,0,0,0,0|1,0,2]=4 686 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,1,0,0,0,0|1,0,2]=4 687 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,1,0,0,0,0|1,0,2]=4 688 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,1,0,0,0,0|1,0,2]=4 689 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,1,0,0,0,0|0,0,2]=3 690 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,1,0,0,0,0|0,0,2]=3 691 B10R0.1 CCC/C=C/CC(=O)CC#N 1458a_200016266809_100011214920 [0,1,0,0,0,0|2,0,1]=4 692 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,1,0,0,0,0|1,0,0]=2 693 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,1,0,0,0,0|2,0,0]=3 694 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,1,0,0,0,0|2,0,0]=3 695 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,1,0,0,0,0|1,0,0]=2 696 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,1,0,0,0,0|1,0,0]=2 697 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,1,0,0,0,0|1,0,0]=2 698 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,1,0,0,0,0|2,0,0]=3 699 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,2]=4 700 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|1,0,2]=4 701 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|1,0,2]=4 702 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|1,0,2]=4 703 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|1,0,2]=4 704 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|2,0,1]=4 705 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|2,0,1]=4 706 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,0,0,0,0|2,0,1]=4 707 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,1,0,0,0,0|2,0,1]=4 708 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,1,0,0,0,0|2,0,1]=4 709 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,1,0,0,0,0|2,0,1]=4 710 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,1,0,0,0,0|2,0,1]=4 711 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,0,0,0,0|2,0,1]=4 712 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,0,0,0,0|2,0,1]=4 713 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|2,0,1]=4 714 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|2,0,1]=4 715 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,1,0,0,0,0|2,0,1]=4 716 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,1,0,0,0,0|2,0,1]=4 717 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,1,0,0,0,0|2,0,1]=4 718 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,1,0,0,0,0|2,0,1]=4 719 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,1,0,0,0,0|2,0,1]=4 720 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,1,0,0,0,0|2,0,1]=4 721 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,1,0,0,0,0|2,0,1]=4 722 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,1,0,0,0,0|2,0,1]=4 723 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,1,0,0,0,0|2,0,1]=4 724 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,1,0,0,0,0|2,0,1]=4 725 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 726 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 727 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 728 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 729 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,1,0,0,0,0|2,0,1]=4 730 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,1,0,0,0,0|1,0,2]=4 731 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,1,0,0,0,0|1,0,2]=4 732 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,1,0,0,0,0|1,0,2]=4 733 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,2]=4 734 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,2]=4 735 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 736 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 737 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|1,0,2]=4 738 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 739 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 740 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 741 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|1,0,2]=4 742 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,0,0,0,0|1,0,2]=4 743 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,0,0,0,0|1,0,2]=4 744 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,0,0,0,0|1,0,2]=4 745 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,0,0,0,0|1,0,2]=4 746 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,0,0,0,0|1,0,2]=4 747 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,0,0,0,0|1,0,2]=4 748 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|1,0,2]=4 749 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|1,0,2]=4 750 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,0,0,0,0|1,0,2]=4 751 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,0,0,0,0|1,0,2]=4 752 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,0,0,0,0|1,0,2]=4 753 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,0,0,0,0|0,0,2]=3 754 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,0,0,0,0|0,0,2]=3 755 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|1,0,2]=4 756 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|1,0,2]=4 757 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|1,0,2]=4 758 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,0,0,0,0|1,0,2]=4 759 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,0,0,0,0|1,0,2]=4 760 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,0,0,0,0|1,0,2]=4 761 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,0,0,0,0|1,0,2]=4 762 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,0,0,0,0|1,0,2]=4 763 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,0,0,0,0|0,0,2]=3 764 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,0,0,0,0|0,0,2]=3 765 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|1,0,2]=4 766 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|1,0,2]=4 767 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|1,0,2]=4 768 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,0,0,0,0|1,0,2]=4 769 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,0,0,0,0|1,0,2]=4 770 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,0,0,0,0|1,0,2]=4 771 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,0,0,0,0|1,0,2]=4 772 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,0,0,0,0|1,0,2]=4 773 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,0,0,0,0|0,0,2]=3 774 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,0,0,0,0|0,0,2]=3 775 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,1,0,0,0,0|1,0,2]=4 776 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,1,0,0,0,0|1,0,2]=4 777 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|1,0,2]=4 778 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,1,0,0,0,0|0,0,2]=3 779 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,1,0,0,0,0|2,0,1]=4 780 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,1,0,0,0,0|1,0,2]=4 781 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,1,0,0,0,0|1,0,2]=4 782 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,1,0,0,0,0|0,0,2]=3 783 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,1,0,0,0,0|0,0,2]=3 784 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,1,0,0,0,0|2,0,1]=4 785 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,1,0,0,0,0|1,0,1]=3 786 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,0,0,0,0|1,0,2]=4 787 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,1,0,0,0,0|2,0,1]=4 788 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,1,0,0,0,0|2,0,1]=4 789 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,1,0,0,0,0|2,0,1]=4 790 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,1,0,0,0,0|2,0,1]=4 791 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,1,0,0,0,0|2,0,1]=4 792 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,1,0,0,0,0|2,0,1]=4 793 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,1,0,0,0,0|2,0,1]=4 794 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,1,0,0,0,0|2,0,1]=4 795 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,1,0,0,0,0|2,0,1]=4 796 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,1,0,0,0,0|2,0,1]=4 797 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,1,0,0,0,0|2,0,1]=4 798 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,1,0,0,0,0|2,0,1]=4 799 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,1,0,0,0,0|2,0,1]=4 800 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,1,0,0,0,0|2,0,1]=4 801 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,1,0,0,0,0|2,0,1]=4 802 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,1,0,0,0,0|2,0,1]=4 803 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,1,0,0,0,0|2,0,1]=4 804 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,1,0,0,0,0|2,0,1]=4 805 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,1,0,0,0,0|2,0,1]=4 806 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,1,0,0,0,0|2,0,1]=4 807 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,1,0,0,0,0|2,0,1]=4 809 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,1,0,0,0,0|2,0,1]=4 810 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,1,0,0,0,0|2,0,1]=4 811 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,1,0,0,0,0|2,0,1]=4 812 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 813 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 814 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,1,0,0,0,0|2,0,1]=4 815 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 816 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,1,0,0,0,0|2,0,1]=4 817 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,1,0,0,0,0|2,0,1]=4 818 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,1,0,0,0,0|2,0,1]=4 819 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,1,0,0,0,0|2,0,1]=4 820 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,1,0,0,0,0|2,0,1]=4 821 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,1,0,0,0,0|2,0,1]=4 822 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,1,0,0,0,0|2,0,1]=4 823 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,1,0,0,0,0|2,0,1]=4 824 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,1,0,0,0,0|2,0,1]=4 825 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,1,0,0,0,0|2,0,1]=4 826 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,1,0,0,0,0|2,0,1]=4 827 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,1,0,0,0,0|2,0,1]=4 828 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,1,0,0,0,0|2,0,1]=4 829 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,1,0,0,0,0|2,0,1]=4 830 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,1,0,0,0,0|2,0,1]=4 831 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,1,0,0,0,0|2,0,1]=4 832 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,1,0,0,0,0|2,0,1]=4 833 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,1,0,0,0,0|2,0,1]=4 834 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,1,0,0,0,0|2,0,1]=4 835 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,1,0,0,0,0|2,0,1]=4 836 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,1,0,0,0,0|2,0,1]=4 837 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,1,0,0,0,0|2,0,1]=4 838 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,1,0,0,0,0|2,0,1]=4 839 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,1,0,0,0,0|0,0,2]=3 841 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,1,0,0,0,0|0,0,2]=3 842 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [0,1,0,0,0,0|1,0,1]=3 843 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,1,0,0,0,0|0,0,2]=3 844 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,1,0,0,0,0|0,0,2]=3 845 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,1,0,0,0,0|1,0,2]=4 846 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,1,0,0,0,0|1,0,2]=4 847 B10R0.1 CCOC(=O)C=NNCCO 4a_100000210001_100000742314 [0,1,0,0,0,0|2,0,1]=4 848 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,0,0,0,0|0,0,2]=3 849 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,0,0,0,0|0,0,2]=3 850 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,0,0,0,0|0,0,2]=3 851 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,0,0,0,0|0,0,2]=3 852 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,0,0,0,0|0,0,2]=3 853 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,0,0,0,0|0,0,2]=3 854 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,0,0,0,0|0,0,2]=3 855 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,0,0,0,0|0,0,2]=3 856 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,1,0,0,0,0|1,0,2]=4 857 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,1,0,0,0,0|0,0,2]=3 858 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,1,0,0,0,0|0,0,2]=3 859 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,1,0,0,0,0|1,0,2]=4 860 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,1,0,0,0,0|1,0,2]=4 861 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,1,0,0,0,0|1,0,1]=3 862 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,1,0,0,0,0|1,0,1]=3 863 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,1,0,0,0,0|1,0,1]=3 864 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,1,0,0,0,0|1,0,1]=3 865 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,1,0,0,0,0|1,0,1]=3 866 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,1,0,0,0,0|1,0,2]=4 867 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,1,0,0,0,0|1,0,2]=4 868 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,1,0,0,0,0|1,0,2]=4 869 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,1,0,0,0,0|1,0,2]=4 870 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,1,0,0,0,0|1,0,1]=3 871 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,1,0,0,0,0|1,0,1]=3 872 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,1,0,0,0,0|1,0,1]=3 873 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,1,0,0,0,0|1,0,1]=3 874 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,1,0,0,0,0|1,0,1]=3 875 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,1,0,0,0,0|1,0,1]=3 876 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,1,0,0,0,0|1,0,1]=3 877 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,1,0,0,0,0|1,0,1]=3 878 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,1,0,0,0,0|1,0,1]=3 879 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,1,0,0,0,0|1,0,1]=3 880 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,1,0,0,0,0|1,0,1]=3 881 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,1,0,0,0,0|1,0,1]=3 882 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,1,0,0,0,0|1,0,1]=3 883 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,1,0,0,0,0|1,0,1]=3 884 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,1,0,0,0,0|1,0,1]=3 885 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,1,0,0,0,0|1,0,1]=3 886 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,1,0,0,0,0|1,0,1]=3 887 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,1,0,0,0,0|1,0,1]=3 888 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,1,0,0,0,0|1,0,1]=3 889 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,1,0,0,0,0|1,0,1]=3 890 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,1,0,0,0,0|1,0,1]=3 891 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,1,0,0,0,0|2,0,1]=4 892 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,1,0,0,0,0|1,0,1]=3 893 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,1,0,0,0,0|1,0,1]=3 894 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,1,0,0,0,0|1,0,1]=3 895 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,1,0,0,0,0|1,0,1]=3 896 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,1,0,0,0,0|1,0,1]=3 897 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,1,0,0,0,0|1,0,1]=3 898 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,1,0,0,0,0|1,0,2]=4 899 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,1,0,0,0,0|1,0,2]=4 900 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,1,0,0,0,0|1,0,1]=3 901 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,1,0,0,0,0|1,0,1]=3 902 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,1,0,0,0,0|1,0,1]=3 903 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,1,0,0,0,0|1,0,1]=3 904 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,1,0,0,0,0|1,0,1]=3 905 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,1,0,0,0,0|1,0,1]=3 906 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,1,0,0,0,0|1,0,1]=3 907 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,1,0,0,0,0|1,0,1]=3 908 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,1,0,0,0,0|1,0,1]=3 909 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,1,0,0,0,0|1,0,1]=3 910 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,1,0,0,0,0|2,0,1]=4 911 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,1,0,0,0,0|1,0,1]=3 912 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,1,0,0,0,0|2,0,1]=4 913 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [0,1,0,0,0,0|2,0,0]=3 914 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [0,1,0,0,0,0|2,0,0]=3 915 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,1,0,0,0,0|2,0,1]=4 916 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,1,0,0,0,0|2,0,1]=4 917 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,1,0,0,0,0|2,0,1]=4 918 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,1,0,0,0,0|2,0,1]=4 919 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,1,0,0,0,0|0,0,2]=3 920 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,1,0,0,0,0|0,0,2]=3 921 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,1,0,0,0,0|0,0,2]=3 922 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,1,0,0,0,0|1,0,1]=3 923 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,1,0,0,0,0|1,0,1]=3 924 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,1,0,0,0,0|1,0,1]=3 925 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,1,0,0,0,0|0,0,3]=4 926 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,1,0,0,0,0|0,0,3]=4 927 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,1,0,0,0,0|1,0,1]=3 928 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,1,0,0,0,0|2,0,1]=4 929 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,1,0,0,0,0|2,0,1]=4 930 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,1,0,0,0,0|1,0,1]=3 931 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,1,0,0,0,0|1,0,1]=3 932 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,1,0,0,0,0|1,0,1]=3 933 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,1,0,0,0,0|2,0,1]=4 934 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,1,0,0,0,0|0,0,3]=4 935 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,1,0,0,0,0|0,0,3]=4 936 B10R0.2 C=COC(=O)CC(=O)C=CC 1458a_100000210699_100000036128 [0,1,0,0,0,0|0,0,3]=4 937 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,1,0,0,0,0|0,0,3]=4 938 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,1,0,0,0,0|1,0,2]=4 939 B10R0.2 CC#CC(=O)CC(=O)NCC 1458a_100000763181_100000183381 [0,1,0,0,0,0|1,0,2]=4 940 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,1,0,0,0,0|0,0,2]=3 941 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,1,0,0,0,0|1,0,1]=3 942 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,1,0,0,0,0|1,0,1]=3 943 B10R0.2 CC=CC(=O)CC(=O)NCO 1458a_100000210699_100000185155 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,1,0,0,0,0|0,0,1]=2 945 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,1,0,0,0,0|1,0,2]=4 946 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,1,0,0,0,0|1,0,2]=4 947 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,1,0,0,0,0|1,0,2]=4 948 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,1,0,0,0,0|2,0,1]=4 949 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,1,0,0,0,0|2,0,1]=4 950 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,1,0,0,0,0|2,0,1]=4 951 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,1,0,0,0,0|1,0,1]=3 952 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,1,0,0,0,0|2,0,1]=4 953 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,1,0,0,0,0|2,0,1]=4 954 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,1,0,0,0,0|2,0,1]=4 955 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,1,0,0,0,0|1,0,1]=3 956 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,1,0,0,0,0|2,0,1]=4 957 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,1,0,0,0,0|0,0,1]=2 958 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,1,0,0,0,0|0,0,1]=2 959 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,1,0,0,0,0|1,0,2]=4 960 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,1,0,0,0,0|1,0,2]=4 961 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,1,0,0,0,0|2,0,1]=4 962 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,1,0,0,0,0|2,0,1]=4 963 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,1,0,0,0,0|2,0,1]=4 964 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,1,0,0,0,0|2,0,1]=4 965 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,1,0,0,0,0|1,0,2]=4 966 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,1,0,0,0,0|1,0,2]=4 967 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,1,0,0,0,0|1,0,2]=4 968 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,1,0,0,0,0|2,0,1]=4 969 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,1,0,0,0,0|2,0,1]=4 970 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,1,0,0,0,0|2,0,1]=4 971 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,1,0,0,0,0|2,0,1]=4 972 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,1,0,0,0,0|1,0,1]=3 973 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,1,0,0,0,0|1,0,1]=3 974 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,1,0,0,0,0|1,0,1]=3 975 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,1,0,0,0,0|1,0,1]=3 976 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,1,0,0,0,0|1,0,1]=3 977 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,1,0,0,0,0|1,0,1]=3 978 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,1,0,0,0,0|1,0,1]=3 979 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,1,0,0,0,0|2,0,1]=4 980 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,1,0,0,0,0|2,0,1]=4 981 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,1,0,0,0,0|2,0,1]=4 982 B10R0.2 CCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183381 [0,1,0,0,0,0|2,0,1]=4 983 B10R0.2 CCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183381 [0,1,0,0,0,0|2,0,1]=4 984 B10R0.2 CCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183381 [0,1,0,0,0,0|2,0,1]=4 985 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,1,0,0,0,0|2,0,1]=4 986 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,1,0,0,0,0|2,0,1]=4 987 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,1,0,0,0,0|2,0,1]=4 988 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,1,0,0,0,0|1,0,0]=2 989 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,1,0,0,0,0|2,0,1]=4 990 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,1,0,0,0,0|2,0,1]=4 991 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,1,0,0,0,0|2,0,1]=4 992 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,1,0,0,0,0|1,0,1]=3 993 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,1,0,0,0,0|1,0,2]=4 994 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,1,0,0,0,0|1,0,2]=4 995 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,1,0,0,0,0|1,0,2]=4 996 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,1,0,0,0,0|1,0,2]=4 997 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,1,0,0,0,0|1,0,2]=4 998 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,1,0,0,0,0|1,0,2]=4 999 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,1,0,0,0,0|1,0,2]=4 1000 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,1,0,0,0,0|1,0,2]=4 1001 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,1,0,0,0,0|1,0,1]=3 1002 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,1,0,0,0,0|1,0,1]=3 1003 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,1,0,0,0,0|1,0,1]=3 1004 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,1,0,0,0,0|1,0,2]=4 1005 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,1,0,0,0,0|1,0,2]=4 1006 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,1,0,0,0,0|1,0,1]=3 1007 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,1,0,0,0,0|1,0,1]=3 1008 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,1,0,0,0,0|1,0,1]=3 1009 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,1,0,0,0,0|1,0,1]=3 1010 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,1,0,0,0,0|1,0,1]=3 1011 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,1,0,0,0,0|1,0,1]=3 1012 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,1,0,0,0,0|1,0,1]=3 1013 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,1,0,0,0,0|1,0,1]=3 1014 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,1,0,0,0,0|1,0,1]=3 1015 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,1,0,0,0,0|2,0,0]=3 1016 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,1,0,0,0,0|1,0,1]=3 1017 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,1,0,0,0,0|1,0,1]=3 1018 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,1,0,0,0,0|2,0,1]=4 1020 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,1,0,0,0,0|2,0,1]=4 1021 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,1,0,0,0,0|2,0,1]=4 1022 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,1,0,0,0,0|2,0,1]=4 1023 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,1,0,0,0,0|2,0,1]=4 1024 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,1,0,0,0,0|2,0,1]=4 1025 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,1,0,0,0,0|2,0,1]=4 1026 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,1,0,0,0,0|1,0,1]=3 1027 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,1,0,0,0,0|2,0,1]=4 1028 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,1,0,0,0,0|1,0,2]=4 1029 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,1,0,0,0,0|1,0,2]=4 1030 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,1,0,0,0,0|1,0,2]=4 1031 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,1,0,0,0,0|1,0,2]=4 1032 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,1,0,0,0,0|1,0,2]=4 1033 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,1,0,0,0,0|1,0,2]=4 1034 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,1,0,0,0,0|1,0,2]=4 1035 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,1,0,0,0,0|2,0,1]=4 1036 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,1,0,0,0,0|2,0,1]=4 1037 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,1,0,0,0,0|2,0,1]=4 1038 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,1,0,0,0,0|2,0,1]=4 1039 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.3 C#CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000184674 [0,1,0,0,0,0|1,0,2]=4 1041 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,1,0,0,0,0|1,0,2]=4 1042 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,1,0,0,0,0|1,0,2]=4 1043 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,1,0,0,0,0|1,0,2]=4 1044 B10R0.3 C=CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210623 [0,1,0,0,0,0|1,0,2]=4 1045 B10R0.3 CC(C)/C=C/CC(=O)CC#N 1458a_100016292215_100011214920 [0,1,0,0,0,0|2,0,1]=4 1046 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [0,1,0,0,0,0|2,0,0]=3 1047 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,1,0,0,0,0|2,0,0]=3 1048 B10R0.3 CCCC(=O)C/C=C/B(O)O 1458a_100000211992_100016262062 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,1,0,0,0,0|1,0,0]=2 1050 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|1,0,2]=4 1051 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,1,0,0,0,0|1,0,2]=4 1052 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,1,0,0,0,0|1,0,2]=4 1053 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,1,0,0,0,0|1,0,2]=4 1054 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,1,0,0,0,0|2,0,1]=4 1055 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,1,0,0,0,0|2,0,1]=4 1056 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,1,0,0,0,0|2,0,1]=4 1057 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,1,0,0,0,0|2,0,1]=4 1058 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,1,0,0,0,0|2,0,1]=4 1059 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,1,0,0,0,0|2,0,1]=4 1060 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,1,0,0,0,0|2,0,1]=4 1061 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,1,0,0,0,0|2,0,1]=4 1062 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,1,0,0,0,0|2,0,1]=4 1063 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,1,0,0,0,0|2,0,1]=4 1064 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,1,0,0,0,0|2,0,1]=4 1065 B10R0.3 CCCC(=O)NN=CC(C)C 4a_100000189770_100000210432 [0,1,0,0,0,0|3,0,0]=4 1066 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,1,0,0,0,0|1,0,0]=2 1067 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,1,0,0,0,0|1,0,0]=2 1068 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,1,0,0,0,0|1,0,2]=4 1069 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,1,0,0,0,0|1,0,2]=4 1070 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,1,0,0,0,0|1,0,2]=4 1071 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,1,0,0,0,0|1,0,2]=4 1072 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,1,0,0,0,0|2,0,1]=4 1074 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,1,0,0,0,0|2,0,1]=4 1075 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,1,0,0,0,0|2,0,1]=4 1078 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,1,0,0,0,0|2,0,1]=4 1079 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,1,0,0,0,0|2,0,1]=4 1080 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,1,0,0,0,0|2,0,1]=4 1081 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,1,0,0,0,0|2,0,1]=4 1082 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,1,0,0,0,0|2,0,1]=4 1083 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,1,0,0,0,0|2,0,1]=4 1084 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,1,0,0,0,0|2,0,1]=4 1085 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,1,0,0,0,0|2,0,1]=4 1086 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,1,0,0,0,0|2,0,1]=4 1087 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,1,0,0,0,0|2,0,1]=4 1088 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,1,0,0,0,0|2,0,1]=4 1089 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,1,0,0,0,0|2,0,1]=4 1090 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,1,0,0,0,0|2,0,1]=4 1091 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,1,0,0,0,0|2,0,1]=4 1092 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,1,0,0,0,0|2,0,1]=4 1093 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,1,0,0,0,0|2,0,1]=4 1094 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,1,0,0,0,0|2,0,1]=4 1097 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,1,0,0,0,0|2,0,1]=4 1098 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,1,0,0,0,0|1,0,2]=4 1099 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,1,0,0,0,0|1,0,2]=4 1100 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,1,0,0,0,0|2,0,1]=4 1101 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|0,0,3]=4 1102 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|0,0,3]=4 1103 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|0,0,3]=4 1104 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,1,0,0,0,0|1,0,2]=4 1106 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,0|1,0,2]=4 1107 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,1,0,0,0,0|1,0,1]=3 1108 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,1,0,0,0,0|1,0,1]=3 1109 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,1,0,0,0,0|1,0,1]=3 1110 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,1,0,0,0,0|1,0,1]=3 1111 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,1,0,0,0,0|1,0,1]=3 1112 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,1,0,0,0,0|1,0,1]=3 1113 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,1,0,0,0,0|1,0,1]=3 1114 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,1,0,0,0,0|1,0,1]=3 1115 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,1,0,0,0,0|1,0,1]=3 1116 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,1,0,0,0,0|2,0,1]=4 1117 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,1,0,0,0,0|1,0,2]=4 1118 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,1,0,0,0,0|1,0,1]=3 1119 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,1,0,0,0,0|1,0,1]=3 1120 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,1,0,0,0,0|1,0,1]=3 1121 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,1,0,0,0,0|2,0,1]=4 1122 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,1,0,0,0,0|1,0,1]=3 1123 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,1,0,0,0,0|1,0,1]=3 1124 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,1,0,0,0,0|1,0,1]=3 1125 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,1,0,0,0,0|1,0,1]=3 1126 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,1,0,0,0,0|1,0,1]=3 1127 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,1,0,0,0,0|1,0,1]=3 1128 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,1,0,0,0,0|2,0,1]=4 1129 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,1,0,0,0,0|2,0,1]=4 1130 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,1,0,0,0,0|1,0,1]=3 1131 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,1,0,0,0,0|1,0,1]=3 1132 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,1,0,0,0,0|2,0,1]=4 1133 B10R0.3 CNNC(=O)C/C=C/C(C)C 22a_100016993582_100016292215 [0,1,0,0,0,0|2,0,0]=3 1134 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,1,0,0,0,0|1,0,2]=4 1135 B10R0.6 C/C=C/C=CC(=O)CC(C)O 1458a_100000185730_100011218427 [0,1,0,0,0,0|1,0,2]=4 1136 B10R0.6 C/C=C/C=CC(=O)NC(C)C 11a_100138425928_100000185730 [0,1,0,0,0,0|1,0,2]=4 1137 B10R0.6 C/C=C/C=CC(=O)NC(C)C 1626a_100138425928_100000185730 [0,1,0,0,0,0|1,0,2]=4 1138 B10R0.6 C/C=C/C=CC(=O)NC(C)C 240690a_100138425928_100000185730 [0,1,0,0,0,0|1,0,2]=4 1139 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [0,1,0,0,0,0|1,0,1]=3 1140 B10R0.6 C=C(F)CC(=O)C/C=C/CC 1458a_100016274230_100009893438 [0,1,0,0,0,0|1,0,2]=4 1141 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,1,0,0,0,0|2,0,1]=4 1142 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,1,0,0,0,0|2,0,1]=4 1143 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,1,0,0,0,0|2,0,1]=4 1144 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,1,0,0,0,0|2,0,1]=4 1145 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,1,0,0,0,0|2,0,1]=4 1146 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,1,0,0,0,0|2,0,1]=4 1149 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,1,0,0,0,0|2,0,1]=4 1150 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,1,0,0,0,0|2,0,1]=4 1151 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,1,0,0,0,0|2,0,1]=4 1152 B10R0.6 CC/C=C/CC(=O)CC(=O)N 1458a_100016274230_100000187820 [0,1,0,0,0,0|2,0,1]=4 1153 B10R0.6 CC/C=C/CC(=O)CC(=O)[O-] 1458a_100016274230_100020667443 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,1,0,0,0,0|1,0,0]=2 1155 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,1,0,0,0,0|1,0,0]=2 1156 B10R0.6 CC/C=C/CC(=O)CC(F)F 1458a_100016274230_100011934356 [0,1,0,0,0,0|2,0,0]=3 1157 B10R0.6 CC/C=C/CC(=O)C[N+](=O)[O-] 1458a_100016274230_100000761209 [0,1,0,0,0,0|3,0,0]=4 1158 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [0,1,0,0,0,0|1,0,0]=2 1159 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [0,1,0,0,0,0|1,0,0]=2 1160 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [0,1,0,0,0,0|1,0,0]=2 1161 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [0,1,0,0,0,0|1,0,0]=2 1162 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,1,0,0,0,0|1,0,1]=3 1163 B10R0.6 CC/C=C\CC(=O)C=C(C)Cl 1458a_200042562850_100103147603 [0,1,0,0,0,0|1,0,1]=3 1164 B10R0.6 CC/C=C\CC(=O)C=C(C)I 1458a_100025716642_100103147603 [0,1,0,0,0,0|1,0,1]=3 1165 B10R0.6 CC/C=C\CC(=O)C=C(Cl)Cl 1458a_100000137448_100103147603 [0,1,0,0,0,0|2,0,1]=4 1166 B10R0.6 CC/C=C\CC(=O)CC(=O)N 1458a_100134613110_100103147603 [0,1,0,0,0,0|2,0,1]=4 1167 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,1,0,0,0,0|1,0,0]=2 1168 B10R0.6 CC/C=C\CC(=O)CN(C)C 1458a_100000750896_100103147603 [0,1,0,0,0,0|2,0,0]=3 1169 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,1,0,0,0,0|1,0,0]=2 1170 B10R0.6 CC/C=C\CC(=O)C[S+](C)C 1458a_200159257847_100103147603 [0,1,0,0,0,0|2,0,0]=3 1171 B10R0.6 CC/C=C\CN(C)CC(C)C 2230a_100000747067_100103147603 [0,1,0,0,0,0|3,0,0]=4 1172 B10R0.6 CC/C=C\CN(C)CC(C)C 269982a_100000747067_100103147603 [0,1,0,0,0,0|3,0,0]=4 1173 B10R0.6 CC/C=C\CN(C)CC(C)O 2230a_100000227577_100103147603 [0,1,0,0,0,0|3,0,0]=4 1174 B10R0.6 CC/C=C\CN(C)CC(C)O 269982a_100000227577_100103147603 [0,1,0,0,0,0|3,0,0]=4 1175 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,1,0,0,0,0|1,0,2]=4 1176 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,1,0,0,0,0|1,0,2]=4 1177 B10R0.6 CCC=NNC(=O)CC(C)C 4a_100000189787_100000210100 [0,1,0,0,0,0|3,0,0]=4 1178 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,1,0,0,0,0|1,0,2]=4 1179 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,1,0,0,0,0|1,0,2]=4 1180 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,1,0,0,0,0|1,0,2]=4 1181 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,1,0,0,0,0|1,0,2]=4 1182 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,1,0,0,0,0|1,0,2]=4 1183 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,1,0,0,0,0|1,0,2]=4 1184 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,1,0,0,0,0|1,0,2]=4 1185 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,0|1,0,2]=4 1186 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,0|1,0,2]=4 1187 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1188 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1189 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1190 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,1,0,0,0,0|1,0,2]=4 1191 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,1,0,0,0,0|2,0,1]=4 1192 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,1,0,0,0,0|2,0,1]=4 1193 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,1,0,0,0,0|2,0,1]=4 1194 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,1,0,0,0,0|2,0,1]=4 1195 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,1,0,0,0,0|2,0,1]=4 1196 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,1,0,0,0,0|2,0,1]=4 1197 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,1,0,0,0,0|2,0,1]=4 1199 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,1,0,0,0,0|1,0,1]=3 1200 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,1,0,0,0,0|2,0,1]=4 1201 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,1,0,0,0,0|2,0,1]=4 1202 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,1,0,0,0,0|2,0,1]=4 1203 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,1,0,0,0,0|2,0,1]=4 1204 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,1,0,0,0,0|2,0,1]=4 1205 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,1,0,0,0,0|2,0,1]=4 1206 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,1,0,0,0,0|1,0,1]=3 1209 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,1,0,0,0,0|1,0,1]=3 1210 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,1,0,0,0,0|2,0,1]=4 1211 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,1,0,0,0,0|1,0,1]=3 1212 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,1,0,0,0,0|2,0,1]=4 1213 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,1,0,0,0,0|2,0,1]=4 1214 B10R0.6 CCOC=CC(=O)NC(C)C 11a_100138425928_100016266692 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.6 CCOC=CC(=O)NC(C)C 1626a_100138425928_100016266692 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.6 CCOC=CC(=O)NC(C)C 240690a_100138425928_100016266692 [0,1,0,0,0,0|2,0,1]=4 1217 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,1,0,0,0,0|2,0,1]=4 1218 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,1,0,0,0,0|2,0,1]=4 1219 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,1,0,0,0,0|2,0,1]=4 1221 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,1,0,0,0,0|2,0,1]=4 1222 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,1,0,0,0,0|2,0,1]=4 1223 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,1,0,0,0,0|2,0,1]=4 1224 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,1,0,0,0,0|2,0,1]=4 1228 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,1,0,0,0,0|2,0,1]=4 1229 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,1,0,0,0,0|2,0,1]=4 1230 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,1,0,0,0,0|2,0,1]=4 1231 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,1,0,0,0,0|2,0,1]=4 1234 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,1,0,0,0,0|2,0,1]=4 1235 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,1,0,0,0,0|1,0,1]=3 1236 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,1,0,0,0,0|1,0,1]=3 1237 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,1,0,0,0,0|2,0,1]=4 1238 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,1,0,0,0,0|2,0,1]=4 1239 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,1,0,0,0,0|2,0,1]=4 1240 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,1,0,0,0,0|2,0,1]=4 1242 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,1,0,0,0,0|2,0,1]=4 1243 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,1,0,0,0,0|1,0,2]=4 1244 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,1,0,0,0,0|1,0,2]=4 1245 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,1,0,0,0,0|1,0,2]=4 1246 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,1,0,0,0,0|1,0,2]=4 1247 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,1,0,0,0,0|1,0,2]=4 1248 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,1,0,0,0,0|1,0,2]=4 1249 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,1,0,0,0,0|1,0,2]=4 1250 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,1,0,0,0,0|1,0,2]=4 1251 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,1,0,0,0,0|1,0,2]=4 1252 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,1,0,0,0,0|1,0,2]=4 1253 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,1,0,0,0,0|1,0,2]=4 1254 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,1,0,0,0,0|1,0,2]=4 1255 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,1,0,0,0,0|1,0,2]=4 1256 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,1,0,0,0,0|1,0,2]=4 1257 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,1,0,0,0,0|1,0,2]=4 1258 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,1,0,0,0,0|1,0,2]=4 1259 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,1,0,0,0,0|1,0,2]=4 1260 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,1,0,0,0,0|2,0,1]=4 1261 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,1,0,0,0,0|2,0,1]=4 1262 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,1,0,0,0,0|1,1,1]=4 1263 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,1,0,0,0,0|2,0,1]=4 1264 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,1,0,0,0,0|1,0,1]=3 1265 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,1,0,0,0,0|1,0,1]=3 1266 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,1,0,0,0,0|1,0,1]=3 1267 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,1,0,0,0,0|2,0,1]=4 1268 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,1,0,0,0,0|2,0,1]=4 1269 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,1,0,0,0,0|1,0,1]=3 1270 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,1,0,0,0,0|1,0,1]=3 1271 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,1,0,0,0,0|1,0,1]=3 1272 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,1,0,0,0,0|1,0,1]=3 1273 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,1,0,0,0,0|2,0,1]=4 1274 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,1,0,0,0,0|1,0,2]=4 1275 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,1,0,0,0,0|1,0,2]=4 1276 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,1,0,0,0,0|2,0,1]=4 1277 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,1,0,0,0,0|2,0,1]=4 1278 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,1,0,0,0,0|2,0,1]=4 1279 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,1,0,0,0,0|2,0,1]=4 1280 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,1,0,0,0,0|2,0,1]=4 1281 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,1,0,0,0,0|2,0,1]=4 1282 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,1,0,0,0,0|2,0,1]=4 1283 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,1,0,0,0,0|2,0,1]=4 1284 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,1,0,0,0,0|2,0,1]=4 1285 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,1,0,0,0,0|2,0,1]=4 1286 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,1,0,0,0,0|2,0,1]=4 1287 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,1,0,0,0,0|2,0,1]=4 1288 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,1,0,0,0,0|2,0,1]=4 1289 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,1,0,0,0,0|2,0,1]=4 1290 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,1,0,0,0,0|2,0,1]=4 1291 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,1,0,0,0,0|2,0,1]=4 1292 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,1,0,0,0,0|2,0,1]=4 1293 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,1,0,0,0,0|2,0,1]=4 1294 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,1,0,0,0,0|2,0,1]=4 1295 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,1,0,0,0,0|2,0,1]=4 1297 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,1,0,0,0,0|2,0,1]=4 1298 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,1,0,0,0,0|2,0,1]=4 1299 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,1,0,0,0,0|2,0,1]=4 1300 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,1,0,0,0,0|2,0,1]=4 1301 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,1,0,0,0,0|2,0,1]=4 1302 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,1,0,0,0,0|2,0,1]=4 1303 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,1,0,0,0,0|2,0,1]=4 1304 B10R0.24 CC/C=C\CN(CC)CCC 2230a_100000226822_100103147603 [0,1,0,0,0,0|3,0,0]=4 1305 B10R0.24 CC/C=C\CN(CC)CCC 269982a_100000226822_100103147603 [0,1,0,0,0,0|3,0,0]=4 1306 B10R0.83 C#CC(C)C(=O)C/C=C/CC 1458a_100016274230_200000035995 [0,1,0,0,0,0|1,0,2]=4 1307 B10R0.83 C/C=C(\C)/C(=O)C/C=C\CC 1458a_100020587367_100103147603 [0,1,0,0,0,0|1,0,1]=3 1308 B10R0.83 C/C=C/C=CC(=O)C(C)CC 1458a_100000185730_100000758301 [0,1,0,0,0,0|1,0,2]=4 1309 B10R0.83 C/C=C/C=CC(=O)N(C)CC 11a_100000225621_100000185730 [0,1,0,0,0,0|1,0,2]=4 1310 B10R0.83 C/C=C/C=CC(=O)N(C)CC 1626a_100000225621_100000185730 [0,1,0,0,0,0|1,0,2]=4 1311 B10R0.83 C/C=C/C=CC(=O)N(C)CC 240690a_100000225621_100000185730 [0,1,0,0,0,0|1,0,2]=4 1312 B10R0.83 C=CC(C)C(=O)C/C=C\CC 1458a_100011216780_100103147603 [0,1,0,0,0,0|1,0,2]=4 1313 B10R0.83 CC/C=C/CC(=O)C(C)C#N 1458a_100016274230_100000703298 [0,1,0,0,0,0|2,0,1]=4 1314 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,1,0,0,0,0|1,0,0]=2 1315 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [0,1,0,0,0,0|1,0,0]=2 1316 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [0,1,0,0,0,0|1,0,0]=2 1317 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [0,1,0,0,0,0|1,0,0]=2 1318 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [0,1,0,0,0,0|1,0,0]=2 1319 B10R0.83 CC/C=C\CC(=O)C(=O)NC 1458a_100011218921_100103147603 [0,1,0,0,0,0|2,0,0]=3 1320 B10R0.83 CC/C=C\CC(=O)C(C)C#N 1458a_100000753662_100103147603 [0,1,0,0,0,0|2,0,1]=4 1321 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,1,0,0,0,0|1,0,0]=2 1322 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [0,1,0,0,0,0|2,0,0]=3 1323 B10R0.83 CC/C=C\CC(=O)C(C)SC 1458a_100000149566_100103147603 [0,1,0,0,0,0|2,0,0]=3 1324 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,1,0,0,0,0|1,0,0]=2 1325 B10R0.83 CC/C=C\CC(=O)C(O)CO 1458a_100011215603_100103147603 [0,1,0,0,0,0|2,0,0]=3 1326 B10R0.83 CC/C=C\CN(C)C(C)CC 2230a_100000741768_100103147603 [0,1,0,0,0,0|3,0,0]=4 1327 B10R0.83 CC/C=C\CN(C)C(C)CC 269982a_100000741768_100103147603 [0,1,0,0,0,0|3,0,0]=4 1328 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [0,1,0,0,0,0|1,0,2]=4 1329 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,1,0,0,0,0|1,0,2]=4 1330 B10R0.83 CCC=NNC(=O)C(C)CC 4a_100000740736_100000210100 [0,1,0,0,0,0|3,0,0]=4 1331 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,1,0,0,0,0|1,0,2]=4 1332 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,1,0,0,0,0|1,0,2]=4 1333 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,1,0,0,0,0|1,0,2]=4 1334 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,1,0,0,0,0|1,0,2]=4 1335 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,1,0,0,0,0|1,0,2]=4 1336 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,1,0,0,0,0|1,0,2]=4 1337 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,1,0,0,0,0|1,0,2]=4 1338 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 1339 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 1340 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 1341 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,1,0,0,0,0|1,0,2]=4 1342 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,1,0,0,0,0|2,0,1]=4 1343 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,1,0,0,0,0|2,0,1]=4 1344 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,1,0,0,0,0|2,0,1]=4 1345 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,1,0,0,0,0|2,0,1]=4 1346 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,1,0,0,0,0|2,0,1]=4 1347 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,1,0,0,0,0|2,0,1]=4 1348 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,1,0,0,0,0|2,0,1]=4 1349 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,1,0,0,0,0|2,0,1]=4 1350 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,1,0,0,0,0|2,0,1]=4 1351 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,1,0,0,0,0|2,0,1]=4 1352 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,1,0,0,0,0|2,0,1]=4 1353 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,1,0,0,0,0|2,0,1]=4 1354 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,1,0,0,0,0|2,0,1]=4 1355 B10R0.83 CCOC=CC(=O)C(C)CC 1458a_100016266692_100000758301 [0,1,0,0,0,0|2,0,1]=4 1356 B10R0.83 CCOC=CC(=O)N(C)CC 11a_100000225621_100016266692 [0,1,0,0,0,0|2,0,1]=4 1357 B10R0.83 CCOC=CC(=O)N(C)CC 1626a_100000225621_100016266692 [0,1,0,0,0,0|2,0,1]=4 1358 B10R0.83 CCOC=CC(=O)N(C)CC 240690a_100000225621_100016266692 [0,1,0,0,0,0|2,0,1]=4 1359 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,1,0,0,0,0|2,0,1]=4 1360 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,1,0,0,0,0|2,0,1]=4 1362 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,1,0,0,0,0|2,0,1]=4 1363 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,1,0,0,0,0|2,0,1]=4 1364 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,1,0,0,0,0|2,0,1]=4 1365 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,1,0,0,0,0|2,0,1]=4 1366 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,1,0,0,0,0|2,0,1]=4 1367 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,1,0,0,0,0|2,0,1]=4 1368 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,1,0,0,0,0|2,0,1]=4 1369 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,1,0,0,0,0|2,0,1]=4 1370 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,1,0,0,0,0|2,0,1]=4 1371 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,1,0,0,0,0|2,0,1]=4 1372 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,1,0,0,0,0|2,0,1]=4 1373 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [0,1,0,0,0,0|1,0,1]=3 1374 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [0,1,0,0,0,0|1,0,1]=3 1375 B10R0.91 C#CCNC(=O)C/C=C/CC 11a_100000212058_100016274230 [0,1,0,0,0,0|1,0,1]=3 1376 B10R0.91 C#CCNC(=O)C/C=C/CC 1626a_100000212058_100016274230 [0,1,0,0,0,0|1,0,1]=3 1377 B10R0.91 C#CCNC(=O)C/C=C/CC 240690a_100000212058_100016274230 [0,1,0,0,0,0|1,0,1]=3 1378 B10R0.91 C#CCNC(=O)C/C=C/CC 527a_100000212058_100016274230 [0,1,0,0,0,0|1,0,1]=3 1379 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [0,1,0,0,0,0|1,0,2]=4 1380 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [0,1,0,0,0,0|1,0,2]=4 1381 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,1,0,0,0,0|1,0,2]=4 1382 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [0,1,0,0,0,0|1,0,2]=4 1383 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [0,1,0,0,0,0|1,0,2]=4 1384 B10R0.91 C/C=C/C=CC(=O)NCCC 11a_100020643023_100000185730 [0,1,0,0,0,0|1,0,2]=4 1385 B10R0.91 C/C=C/C=CC(=O)NCCC 1626a_100020643023_100000185730 [0,1,0,0,0,0|1,0,2]=4 1386 B10R0.91 C/C=C/C=CC(=O)NCCC 240690a_100020643023_100000185730 [0,1,0,0,0,0|1,0,2]=4 1387 B10R0.91 C/C=C/C=CC(=O)NCCF 11a_100000724931_100000185730 [0,1,0,0,0,0|1,0,2]=4 1388 B10R0.91 C/C=C/C=CC(=O)NCCF 1626a_100000724931_100000185730 [0,1,0,0,0,0|1,0,2]=4 1389 B10R0.91 C/C=C/C=CC(=O)NCCF 240690a_100000724931_100000185730 [0,1,0,0,0,0|1,0,2]=4 1390 B10R0.91 C/C=C/C=CC(=O)NCCO 240690a_100000210304_100000185730 [0,1,0,0,0,0|1,0,2]=4 1391 B10R0.91 C/C=C/C=CC(=O)NNCC 22a_100000756455_100000185730 [0,1,0,0,0,0|1,0,2]=4 1392 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [0,1,0,0,0,0|1,0,1]=3 1393 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,1,0,0,0,0|2,0,1]=4 1394 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,1,0,0,0,0|2,0,1]=4 1395 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,1,0,0,0,0|2,0,1]=4 1396 B10R0.91 C=CC=CC(=O)C/C=C\CC 1458a_100016291481_100103147603 [0,1,0,0,0,0|1,0,2]=4 1397 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,1,0,0,0,0|1,0,1]=3 1398 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,1,0,0,0,0|1,0,1]=3 1399 B10R0.91 C=CCNC(=O)C/C=C/CC 1626a_100020586998_100016274230 [0,1,0,0,0,0|1,0,1]=3 1400 B10R0.91 C=CCNC(=O)C/C=C/CC 240690a_100020586998_100016274230 [0,1,0,0,0,0|1,0,1]=3 1401 B10R0.91 C=CCNC(=O)C/C=C/CC 527a_100020586998_100016274230 [0,1,0,0,0,0|1,0,1]=3 1402 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,1,0,0,0,0|1,0,2]=4 1403 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,1,0,0,0,0|1,0,2]=4 1404 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,1,0,0,0,0|1,0,2]=4 1405 B10R0.91 CC#CCC(=O)C/C=C/CC 1458a_100016274230_100000748600 [0,1,0,0,0,0|1,0,1]=3 1406 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [0,1,0,0,0,0|1,0,1]=3 1407 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,1,0,0,0,0|1,0,0]=2 1408 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,1,0,0,0,0|1,0,0]=2 1409 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,1,0,0,0,0|1,0,0]=2 1410 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,1,0,0,0,0|1,0,0]=2 1411 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,1,0,0,0,0|1,0,0]=2 1412 B10R0.91 CC/C=C/CC(=O)NCC#N 1626a_100000734998_100016274230 [0,1,0,0,0,0|1,0,1]=3 1413 B10R0.91 CC/C=C/CC(=O)NCC#N 527a_100000734998_100016274230 [0,1,0,0,0,0|1,0,1]=3 1414 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,1,0,0,0,0|1,0,0]=2 1415 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,1,0,0,0,0|1,0,0]=2 1416 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,1,0,0,0,0|1,0,0]=2 1417 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,1,0,0,0,0|1,0,0]=2 1418 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,1,0,0,0,0|1,0,0]=2 1419 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,1,0,0,0,0|1,0,0]=2 1420 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,1,0,0,0,0|1,0,0]=2 1421 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,1,0,0,0,0|1,0,0]=2 1422 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,1,0,0,0,0|1,0,0]=2 1423 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,1,0,0,0,0|1,0,0]=2 1424 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [0,1,0,0,0,0|1,0,0]=2 1425 B10R0.91 CC/C=C\CC(=O)C#CCO 1458a_100000049017_100103147603 [0,1,0,0,0,0|1,0,1]=3 1426 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [0,1,0,0,0,0|1,0,1]=3 1427 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [0,1,0,0,0,0|1,0,1]=3 1428 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,1,0,0,0,0|1,0,0]=2 1429 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,1,0,0,0,0|1,0,0]=2 1430 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,1,0,0,0,0|1,0,0]=2 1431 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,1,0,0,0,0|0,0,0]=1 1432 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,1,0,0,0,0|0,1,0]=2 1433 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [0,1,0,0,0,0|3,0,0]=4 1434 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [0,1,0,0,0,0|3,0,0]=4 1435 B10R0.91 CC/C=C\CN(C)CCCO 2230a_100000213112_100103147603 [0,1,0,0,0,0|3,0,0]=4 1436 B10R0.91 CC/C=C\CN(C)CCCO 269982a_100000213112_100103147603 [0,1,0,0,0,0|3,0,0]=4 1437 B10R0.91 CC/C=C\CN(C)CCOC 2230a_100000743101_100103147603 [0,1,0,0,0,0|3,0,0]=4 1438 B10R0.91 CC/C=C\CN(C)CCOC 269982a_100000743101_100103147603 [0,1,0,0,0,0|3,0,0]=4 1439 B10R0.91 CC/C=C\CN(C)CCSC 2230a_100000686725_100103147603 [0,1,0,0,0,0|3,0,0]=4 1440 B10R0.91 CC/C=C\CN(C)CCSC 269982a_100000686725_100103147603 [0,1,0,0,0,0|3,0,0]=4 1441 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [0,1,0,0,0,0|1,0,1]=3 1442 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [0,1,0,0,0,0|1,0,1]=3 1443 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [0,1,0,0,0,0|1,0,0]=2 1444 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,1,0,0,0,0|1,0,2]=4 1445 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,1,0,0,0,0|2,0,1]=4 1446 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,1,0,0,0,0|2,0,1]=4 1447 B10R0.91 CCC#CCC(=O)C#CCC 1458a_100011827653_100009813939 [0,1,0,0,0,0|1,0,2]=4 1448 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,1,0,0,0,0|1,0,2]=4 1449 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,1,0,0,0,0|1,0,2]=4 1450 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [0,1,0,0,0,0|1,0,2]=4 1451 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [0,1,0,0,0,0|1,0,2]=4 1452 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [0,1,0,0,0,0|0,0,2]=3 1453 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [0,1,0,0,0,0|0,1,2]=4 1454 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,1,0,0,0,0|1,0,0]=2 1455 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,0,0,0,0|1,0,2]=4 1456 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,1,0,0,0,0|2,0,1]=4 1457 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,1,0,0,0,0|2,0,1]=4 1458 B10R0.91 CCC=NNC(=O)CCCC 4a_100000189769_100000210100 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.91 CCC=NNC(=O)CCOC 4a_100011260505_100000210100 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.91 CCC=NNC(=O)COCC 4a_100000216846_100000210100 [0,1,0,0,0,0|2,0,0]=3 1461 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,1,0,0,0,0|1,0,2]=4 1462 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,1,0,0,0,0|1,0,2]=4 1463 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,1,0,0,0,0|1,0,2]=4 1464 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,1,0,0,0,0|1,0,2]=4 1465 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,1,0,0,0,0|1,0,2]=4 1466 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,1,0,0,0,0|1,0,2]=4 1467 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,1,0,0,0,0|1,0,2]=4 1468 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,1,0,0,0,0|1,0,2]=4 1469 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,1,0,0,0,0|1,0,2]=4 1470 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,1,0,0,0,0|1,0,2]=4 1471 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,1,0,0,0,0|1,0,2]=4 1472 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,1,0,0,0,0|1,0,2]=4 1473 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,1,0,0,0,0|1,0,2]=4 1474 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,1,0,0,0,0|2,0,1]=4 1475 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,1,0,0,0,0|2,0,1]=4 1476 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,1,0,0,0,0|2,0,1]=4 1477 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,1,0,0,0,0|2,0,1]=4 1478 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,1,0,0,0,0|2,0,1]=4 1479 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,1,0,0,0,0|2,0,1]=4 1480 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,1,0,0,0,0|2,0,1]=4 1481 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,0,0,0,0|1,0,2]=4 1482 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,0,0,0,0|1,0,2]=4 1483 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,0,0,0,0|1,0,2]=4 1484 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|1,0,2]=4 1485 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,0,0,0,0|1,0,2]=4 1486 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,0,0,0,0|1,0,2]=4 1487 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,0,0,0,0|1,0,2]=4 1488 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,0,0,0,0|1,0,2]=4 1489 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,0,0,0,0|1,0,2]=4 1490 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,1,0,0,0,0|0,0,2]=3 1491 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,1,0,0,0,0|0,0,2]=3 1492 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,1,0,0,0,0|0,1,2]=4 1493 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,1,0,0,0,0|0,1,2]=4 1494 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,1,0,0,0,0|0,1,2]=4 1495 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 1496 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 1497 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 1498 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,1,0,0,0,0|1,0,2]=4 1499 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 1500 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 1501 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 1502 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,1,0,0,0,0|1,0,2]=4 1505 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,1,0,0,0,0|1,0,2]=4 1506 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 1507 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 1508 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 1509 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,1,0,0,0,0|1,0,2]=4 1510 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,1,0,0,0,0|1,0,2]=4 1511 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,1,0,0,0,0|1,0,2]=4 1512 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [0,1,0,0,0,0|2,0,1]=4 1513 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [0,1,0,0,0,0|2,0,1]=4 1514 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [0,1,0,0,0,0|2,0,1]=4 1515 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,1,0,0,0,0|2,0,1]=4 1516 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,1,0,0,0,0|2,0,1]=4 1517 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,1,0,0,0,0|2,0,1]=4 1518 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,1,0,0,0,0|2,0,1]=4 1519 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,1,0,0,0,0|2,0,1]=4 1520 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,1,0,0,0,0|2,0,1]=4 1521 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,1,0,0,0,0|2,0,1]=4 1522 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,1,0,0,0,0|2,0,1]=4 1523 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,1,0,0,0,0|2,0,1]=4 1524 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,1,0,0,0,0|2,0,1]=4 1525 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,1,0,0,0,0|2,0,1]=4 1526 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,1,0,0,0,0|2,0,1]=4 1527 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,1,0,0,0,0|2,0,1]=4 1528 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,1,0,0,0,0|2,0,1]=4 1529 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,1,0,0,0,0|2,0,1]=4 1530 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,1,0,0,0,0|2,0,1]=4 1531 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,1,0,0,0,0|2,0,1]=4 1532 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,1,0,0,0,0|2,0,1]=4 1533 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,1,0,0,0,0|2,0,1]=4 1534 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,1,0,0,0,0|2,0,1]=4 1535 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,1,0,0,0,0|2,0,1]=4 1536 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,1,0,0,0,0|2,0,1]=4 1537 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,1,0,0,0,0|2,0,1]=4 1538 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,1,0,0,0,0|2,0,1]=4 1539 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,1,0,0,0,0|2,0,1]=4 1540 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,1,0,0,0,0|2,0,1]=4 1541 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,1,0,0,0,0|2,0,1]=4 1542 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,1,0,0,0,0|1,0,1]=3 1543 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,1,0,0,0,0|1,0,1]=3 1544 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,1,0,0,0,0|2,0,1]=4 1545 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,1,0,0,0,0|2,0,1]=4 1546 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,1,0,0,0,0|2,0,1]=4 1547 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,1,0,0,0,0|2,0,1]=4 1548 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,1,0,0,0,0|2,0,1]=4 1549 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,1,0,0,0,0|2,0,1]=4 1550 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,1,0,0,0,0|2,0,1]=4 1551 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,1,0,0,0,0|2,0,1]=4 1552 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,1,0,0,0,0|2,0,1]=4 1553 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,1,0,0,0,0|2,0,1]=4 1554 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,1,0,0,0,0|2,0,1]=4 1555 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,0,0,0,0|2,0,1]=4 1556 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,1,0,0,0,0|2,0,1]=4 1557 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,1,0,0,0,0|2,0,1]=4 1558 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,1,0,0,0,0|2,0,1]=4 1559 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,1,0,0,0,0|2,0,1]=4 1560 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,1,0,0,0,0|2,0,1]=4 1561 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,1,0,0,0,0|2,0,1]=4 1562 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,1,0,0,0,0|2,0,1]=4 1563 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,1,0,0,0,0|2,0,1]=4 1564 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,1,0,0,0,0|2,0,1]=4 1565 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,1,0,0,0,0|1,0,1]=3 1566 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,1,0,0,0,0|2,0,1]=4 1567 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,1,0,0,0,0|2,0,1]=4 1568 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,1,0,0,0,0|2,0,1]=4 1569 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,1,0,0,0,0|2,0,1]=4 1570 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,1,0,0,0,0|2,0,1]=4 1571 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,1,0,0,0,0|2,0,1]=4 1572 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,1,0,0,0,0|2,0,1]=4 1573 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,1,0,0,0,0|2,0,1]=4 1574 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,1,0,0,0,0|2,0,1]=4 1575 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,1,0,0,0,0|2,0,1]=4 1576 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,1,0,0,0,0|2,0,1]=4 1577 B10R0.91 CCNNC(=O)C=COCC 22a_100000756455_100016266692 [0,1,0,0,0,0|2,0,1]=4 1578 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,1,0,0,0,0|2,0,1]=4 1579 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,1,0,0,0,0|2,0,1]=4 1580 B10R0.91 CCOC=CC(=O)CCCF 1458a_100016266692_100011934791 [0,1,0,0,0,0|2,0,1]=4 1581 B10R0.91 CCOC=CC(=O)CCCO 1458a_100016266692_100011215043 [0,1,0,0,0,0|2,0,1]=4 1582 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [0,1,0,0,0,0|2,0,1]=4 1583 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [0,1,0,0,0,0|2,0,1]=4 1584 B10R0.91 CCOC=CC(=O)NCCF 11a_100000724931_100016266692 [0,1,0,0,0,0|2,0,1]=4 1585 B10R0.91 CCOC=CC(=O)NCCF 1626a_100000724931_100016266692 [0,1,0,0,0,0|2,0,1]=4 1586 B10R0.91 CCOC=CC(=O)NCCF 240690a_100000724931_100016266692 [0,1,0,0,0,0|2,0,1]=4 1587 B10R0.91 CCOC=CC(=O)NCCO 240690a_100000210304_100016266692 [0,1,0,0,0,0|2,0,1]=4 1588 B10R0.91 CCOCC(=O)CC#CCO 1458a_100000211967_200000047223 [0,1,0,0,0,0|1,0,2]=4 1589 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,1,0,0,0,0|1,0,2]=4 1590 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,1,0,0,0,0|1,0,2]=4 1591 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,1,0,0,0,0|1,0,2]=4 1592 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,1,0,0,0,0|1,0,1]=3 1593 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,1,0,0,0,0|2,0,1]=4 1594 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,1,0,0,0,0|2,0,1]=4 1595 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,1,0,0,0,0|2,0,1]=4 1596 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,1,0,0,0,0|2,0,1]=4 1597 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,1,0,0,0,0|2,0,1]=4 1598 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,1,0,0,0,0|2,0,1]=4 1599 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,1,0,0,0,0|1,0,1]=3 1600 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,1,0,0,0,0|1,1,1]=4 1601 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,1,0,0,0,0|2,0,1]=4 1602 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,1,0,0,0,0|2,0,1]=4 1603 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,1,0,0,0,0|2,0,1]=4 1604 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,1,0,0,0,0|2,0,1]=4 1605 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,1,0,0,0,0|2,0,1]=4 1606 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,1,0,0,0,0|2,0,1]=4 1607 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,1,0,0,0,0|2,0,1]=4 1608 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,1,0,0,0,0|2,0,1]=4 1609 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,1,0,0,0,0|2,0,1]=4 1611 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,1,0,0,0,0|2,0,1]=4 1612 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,1,0,0,0,0|2,0,1]=4 1613 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,1,0,0,0,0|1,1,1]=4 1614 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,1,0,0,0,0|2,0,1]=4 1615 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,1,0,0,0,0|2,0,1]=4 1616 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,1,0,0,0,0|2,0,1]=4 1617 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,1,0,0,0,0|2,0,1]=4 1618 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,1,0,0,0,0|2,0,1]=4 1619 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,1,0,0,0,0|2,0,1]=4 1620 B10R0.108 CC=C(C)C=CC(=O)CCC 1458a_100000692105_100000210303 [0,1,0,0,0,0|1,0,2]=4 1621 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [0,1,0,0,0,0|3,0,0]=4 1622 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,1,0,0,0,0|3,0,0]=4 1623 B10R0.108 CCC(=O)NCC(=O)NNC 22a_100016993582_100000194589 [0,1,0,0,0,0|3,0,0]=4 1624 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,1,0,0,0,0|2,0,1]=4 1625 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,1,0,0,0,0|2,0,1]=4 1626 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,0|2,0,1]=4 1627 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,0|1,0,2]=4 1628 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,1,0,0,0,0|2,0,1]=4 1629 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,1,0,0,0,0|2,0,1]=4 1630 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,1,0,0,0,0|2,0,0]=3 1631 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,1,0,0,0,0|2,0,1]=4 1633 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,1,0,0,0,0|2,0,1]=4 1634 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,1,0,0,0,0|2,0,1]=4 1635 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,1,0,0,0,0|2,0,1]=4 1636 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,1,0,0,0,0|3,0,0]=4 1637 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,1,0,0,0,0|3,0,0]=4 1638 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,1,0,0,0,0|2,0,1]=4 1639 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,1,0,0,0,0|1,0,1]=3 1640 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,1,0,0,0,0|2,0,1]=4 1641 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 1642 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,1,0,0,0,0|2,0,1]=4 1643 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 1644 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 1645 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 1646 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 1647 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 1648 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 1649 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 1650 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,0,0,0,0|1,0,2]=4 1651 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,0,0,0,0|1,0,2]=4 1652 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,0,0,0,0|1,0,2]=4 1653 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,0|1,0,2]=4 1654 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,1,0,0,0,0|2,0,1]=4 1655 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,1,0,0,0,0|2,0,1]=4 1656 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,1,0,0,0,0|2,0,1]=4 1657 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,1,0,0,0,0|2,0,1]=4 1658 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,1,0,0,0,0|2,0,1]=4 1659 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,1,0,0,0,0|2,0,1]=4 1660 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,1,0,0,0,0|2,0,0]=3 1661 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1662 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1663 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,1,0,0,0,0|2,0,0]=3 1664 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1665 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,1,0,0,0,0|2,0,0]=3 1666 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,1,0,0,0,0|2,0,0]=3 1667 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [0,1,0,0,0,0|3,0,0]=4 1668 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [0,1,0,0,0,0|3,0,0]=4 1669 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100016988866_106832991635 [0,1,0,0,0,0|3,0,0]=4 1670 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100102657272_100016988866 [0,1,0,0,0,0|3,0,0]=4 1671 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100016988866_100102657272 [0,1,0,0,0,0|3,0,0]=4 1672 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100102657272_100016988866 [0,1,0,0,0,0|3,0,0]=4 1673 B10R0.108 CCNC(=O)CNC(=O)NC 512a_100016988866_100102657272 [0,1,0,0,0,0|3,0,0]=4 1674 B10R0.108 CCNC(=O)CNC(=O)NC 512a_106832991638_100016988866 [0,1,0,0,0,0|3,0,0]=4 1675 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,1,0,0,0,0|3,0,0]=4 1676 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,1,0,0,0,0|3,0,0]=4 1677 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,1,0,0,0,0|3,0,0]=4 1678 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,1,0,0,0,0|2,0,1]=4 1680 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,1,0,0,0,0|2,0,1]=4 1681 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,1,0,0,0,0|2,0,1]=4 1682 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,1,0,0,0,0|2,0,1]=4 1683 B10R0.108 CCNC(=O)NNC(=O)CC 273464a_100015525214_100000183195 [0,1,0,0,0,0|3,0,0]=4 1684 B10R0.108 CCNC(=O)NNC(=O)CC 512a_100015525214_100000183195 [0,1,0,0,0,0|3,0,0]=4 1685 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,1,0,0,0,0|0,0,1]=2 1686 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,1,0,0,0,0|1,0,1]=3 1687 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,1,0,0,0,0|1,0,1]=3 1688 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,1,0,0,0,0|1,0,1]=3 1689 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,0|0,0,1]=2 1690 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,0|1,0,1]=3 1691 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,0|1,0,1]=3 1692 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,0|1,0,1]=3 1693 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,0|1,0,1]=3 1694 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,0|1,0,2]=4 1695 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,0|1,0,2]=4 1696 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,0|1,0,2]=4 1697 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,0|1,0,2]=4 1698 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,0|1,0,2]=4 1699 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,0|1,0,2]=4 1700 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,0|1,0,2]=4 1701 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,0|1,0,2]=4 1702 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,0|1,0,1]=3 1703 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,0|1,0,1]=3 1704 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,0|1,0,1]=3 1705 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,0|1,0,1]=3 1706 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,0|1,0,1]=3 1707 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,0|1,0,1]=3 1708 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,0|2,0,1]=4 1709 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,0|1,0,1]=3 1710 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,0|1,0,1]=3 1711 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,0|1,0,0]=2 1712 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,0|2,0,0]=3 1713 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,0|1,0,1]=3 1714 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,0|1,0,1]=3 1716 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,0|2,0,1]=4 1719 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,0|1,0,1]=3 1720 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,0|1,0,1]=3 1721 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,0|2,0,1]=4 1722 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,0|2,0,1]=4 1725 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,0|2,0,1]=4 1726 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,0|1,0,1]=3 1727 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,0|2,0,1]=4 1728 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 1730 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 1731 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 1732 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,0,1,0,0|2,0,1]=4 1733 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,1,0,0|1,0,1]=3 1734 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,0,0,1,0,0|2,0,1]=4 1735 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,0,0,1,0,0|2,0,1]=4 1736 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,1,0,0|2,0,1]=4 1737 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,0,0,1,0,0|2,0,1]=4 1738 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [0,0,0,1,0,0|1,0,2]=4 1739 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [0,0,0,1,0,0|1,0,2]=4 1740 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,0,1,0,0|2,0,1]=4 1741 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,0,1,0,0|2,0,1]=4 1742 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,0,1,0,0|2,0,1]=4 1743 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,0,1,0,0|2,0,1]=4 1744 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,0,1,0,0|1,0,2]=4 1745 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,0,0,1,0,0|2,0,1]=4 1746 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,0,0,1,0,0|1,0,2]=4 1747 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,0,0,1,0,0|1,0,2]=4 1748 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,0,0,1,0,0|1,0,2]=4 1749 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,0,0,1,0,0|2,0,1]=4 1750 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,0,0,1,0,0|2,0,1]=4 1751 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,0,0,1,0,0|2,0,1]=4 1752 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,0,1,0,0|2,0,1]=4 1753 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 1754 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 1755 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,0,0,1,0,0|2,0,1]=4 1756 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 1757 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 1758 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 1759 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,0,0,1,0,0|1,0,2]=4 1760 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,0,0,1,0,0|1,0,2]=4 1761 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,0,0,1,0,0|1,0,2]=4 1762 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,0,0,1,0,0|2,0,1]=4 1763 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,0,0,1,0,0|2,0,1]=4 1764 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,0,0,1,0,0|2,0,1]=4 1765 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,0,0,1,0,0|2,0,1]=4 1766 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,0,0,1,0,0|2,0,1]=4 1767 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,0,0,1,0,0|2,0,1]=4 1768 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,0,0,1,0,0|2,0,1]=4 1769 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,0,0,1,0,0|2,0,1]=4 1770 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,0,0,1,0,0|2,0,1]=4 1771 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [0,0,0,1,0,0|3,0,0]=4 1772 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [0,0,0,1,0,0|3,0,0]=4 1773 B10R1.24 CC/C=C\CN1CC(C1)C 2230a_100000702820_100103147603 [0,0,0,1,0,0|3,0,0]=4 1774 B10R1.24 CC/C=C\CN1CC(C1)C 269982a_100000702820_100103147603 [0,0,0,1,0,0|3,0,0]=4 1775 B10R1.24 CC/C=C\CN1CC(C1)C 34a_100000702820_100103147603 [0,0,0,1,0,0|3,0,0]=4 1776 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,0,0,1,0,0|2,0,1]=4 1777 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,0,0,1,0,0|2,0,1]=4 1778 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,0,0,1,0,0|2,0,1]=4 1779 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,0,0,1,0,0|2,0,1]=4 1780 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,0,0,1,0,0|1,0,1]=3 1781 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,0,0,1,0,0|2,0,1]=4 1782 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,0,0,1,0,0|2,0,1]=4 1783 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,0,0,1,0,0|2,0,1]=4 1784 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,0,0,1,0,0|1,0,1]=3 1785 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,0,0,1,0,0|1,0,1]=3 1786 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,0,0,1,0,0|2,0,1]=4 1787 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,0,0,1,0,0|2,0,1]=4 1788 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,0,0,1,0,0|2,0,1]=4 1789 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,0,0,1,0,0|2,0,1]=4 1790 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,0,0,1,0,0|2,0,1]=4 1791 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,0,0,1,0,0|2,0,1]=4 1792 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,0,0,1,0,0|2,0,1]=4 1793 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,0,0,1,0,0|2,0,1]=4 1794 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,0,0,1,0,0|2,0,1]=4 1795 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,0,0,1,0,0|2,0,1]=4 1796 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,0,0,1,0,0|2,0,1]=4 1797 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,0,0,1,0,0|2,0,1]=4 1798 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,0,0,1,0,0|2,0,1]=4 1799 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,0,0,1,0,0|2,0,1]=4 1800 B10R1.96 CCOc1cc(on1)CC 34a_200009875660_100000210202 [0,0,0,1,0,0|3,0,0]=4 1801 B10R1.96 CCOc1nc(cs1)SC 62a_100011934640_200000210301 [0,0,0,1,0,0|3,0,0]=4 1802 B10R1.96 CCOc1nc(cs1)SC 62a_200000210301_100011934640 [0,0,0,1,0,0|3,0,0]=4 1803 B10R1.96 CCOc1nc(cs1)S[13CH3] 62a_100011934640_200025704644 [0,0,0,1,0,0|3,0,0]=4 1804 B10R1.96 CCOc1nc(cs1)S[13CH3] 62a_200025704644_100011934640 [0,0,0,1,0,0|3,0,0]=4 1805 B10R1.96 CCSc1ccc(s1)CC 62a_100000210202_100009844052 [0,0,0,1,0,0|0,2,1]=4 1806 B10R1.96 CCSc1ccc(s1)CC 62a_100009844052_100000210202 [0,0,0,1,0,0|0,2,1]=4 1807 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,0,1,0,0|1,0,2]=4 1808 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,0,1,0,0|1,0,2]=4 1809 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,0,1,0,0|1,0,2]=4 1810 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,0,1,0,0|1,0,2]=4 1811 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,0,0,1,0,0|1,0,2]=4 1812 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,0,0,1,0,0|1,0,2]=4 1813 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,0,0,1,0,0|1,0,2]=4 1814 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,0,0,1,0,0|2,0,1]=4 1815 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,0,0,1,0,0|2,0,1]=4 1816 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,0,0,1,0,0|1,0,2]=4 1817 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,0,0,1,0,0|1,0,2]=4 1818 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,0,0,1,0,0|1,0,2]=4 1819 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,0,0,1,0,0|1,0,2]=4 1820 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,0,0,1,0,0|1,0,2]=4 1821 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,0,0,1,0,0|2,0,1]=4 1822 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,0,0,1,0,0|1,0,1]=3 1823 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,0,0,1,0,0|1,0,2]=4 1824 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,0,1,0,0|1,0,2]=4 1825 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,0,1,0,0|1,0,2]=4 1826 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,0,0,1,0,0|2,0,1]=4 1827 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,0,0,1,0,0|1,0,2]=4 1828 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,0,0,1,0,0|1,0,2]=4 1829 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,0,1,0,0|1,0,2]=4 1830 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,0,1,0,0|1,0,2]=4 1831 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,0,1,0,0|1,0,2]=4 1832 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,0,0,1,0,0|2,0,1]=4 1833 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,0,0,1,0,0|2,0,1]=4 1834 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,0|1,0,1]=3 1835 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,0|1,0,1]=3 1836 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [0,0,0,1,0,0|1,0,0]=2 1837 B10R1.186 CC/C=C\CC(=O)C1CO1 1458a_100000701028_100103147603 [0,0,0,1,0,0|2,0,0]=3 1838 B10R1.186 CC/C=C\CN(C)C1CC1 2230a_100000226674_100103147603 [0,0,0,1,0,0|3,0,0]=4 1839 B10R1.186 CC/C=C\CN(C)C1CC1 269982a_100000226674_100103147603 [0,0,0,1,0,0|3,0,0]=4 1840 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [0,0,0,1,0,0|1,0,2]=4 1841 B10R1.186 CCC=NNC(=O)C1CC1 4a_100000183419_100000210100 [0,0,0,1,0,0|3,0,0]=4 1842 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,0,0,1,0,0|1,0,2]=4 1843 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,0,0,1,0,0|2,0,1]=4 1844 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,0,0,1,0,0|2,0,1]=4 1845 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,0,0,1,0,0|2,0,1]=4 1846 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,0,0,1,0,0|2,0,1]=4 1847 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,0,0,1,0,0|2,0,1]=4 1848 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,0,0,1,0,0|2,0,1]=4 1849 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,0,0,1,0,0|2,0,1]=4 1850 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,0,0,1,0,0|2,0,1]=4 1851 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|0,0,1]=3 1852 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [2,0,0,0,0,0|1,0,1]=4 1853 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|2,0,0]=4 1854 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|2,0,0]=4 1855 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|2,0,0]=4 1856 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|2,0,0]=4 1857 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 1858 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,1]=4 1859 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 1860 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|0,0,1]=3 1861 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|0,0,1]=3 1862 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|0,0,1]=3 1863 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|0,0,1]=3 1864 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|0,0,1]=3 1865 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|0,1,1]=4 1866 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|0,1,1]=4 1867 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|0,1,1]=4 1868 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|0,1,1]=4 1869 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,0]=3 1870 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|0,0,0]=2 1871 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|0,0,0]=2 1872 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [2,0,0,0,0,0|1,0,0]=3 1873 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|0,1,0]=3 1874 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|0,1,0]=3 1875 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [2,0,0,0,0,0|1,1,0]=4 1876 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [2,0,0,0,0,0|1,1,0]=4 1877 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|2,0,0]=4 1878 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|2,0,0]=4 1879 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|2,0,0]=4 1880 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [2,0,0,0,0,0|0,0,2]=4 1881 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [2,0,0,0,0,0|0,0,2]=4 1882 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 1883 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,2]=4 1884 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 1885 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|1,0,1]=4 1886 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|1,0,1]=4 1887 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|1,0,1]=4 1888 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 1889 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|1,0,1]=4 1890 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 1891 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|1,0,1]=4 1892 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|1,0,1]=4 1893 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 1894 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|1,0,1]=4 1895 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|1,0,1]=4 1896 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|1,0,1]=4 1897 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|1,0,1]=4 1898 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [2,0,0,0,0,0|0,0,2]=4 1899 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [2,0,0,0,0,0|0,0,2]=4 1900 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,0]=2 1901 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [2,0,0,0,0,0|1,0,0]=3 1902 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [2,0,0,0,0,0|2,0,0]=4 1903 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [2,0,0,0,0,0|0,0,2]=4 1904 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [2,0,0,0,0,0|0,0,2]=4 1905 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [2,0,0,0,0,0|0,0,2]=4 1906 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 1907 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 1908 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 1909 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,0]=2 1910 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,0]=2 1911 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [2,0,0,0,0,0|1,0,0]=3 1912 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [2,0,0,0,0,0|1,0,0]=3 1913 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [2,0,0,0,0,0|1,0,0]=3 1914 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [2,0,0,0,0,0|1,0,0]=3 1915 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [2,0,0,0,0,0|1,0,0]=3 1916 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [2,0,0,0,0,0|1,0,0]=3 1917 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [2,0,0,0,0,0|2,0,0]=4 1918 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [2,0,0,0,0,0|2,0,0]=4 1919 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 1920 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [2,0,0,0,0,0|1,0,0]=3 1921 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,1]=4 1922 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,1]=4 1923 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,1]=4 1924 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,1]=4 1925 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,1]=4 1926 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,1]=4 1927 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 1928 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 1929 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 1930 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,0]=2 1931 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [2,0,0,0,0,0|1,0,0]=3 1932 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [2,0,0,0,0,0|1,0,0]=3 1933 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [2,0,0,0,0,0|1,0,0]=3 1934 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [2,0,0,0,0,0|1,0,0]=3 1935 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,1]=3 1936 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,1]=3 1937 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,1]=4 1938 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,1]=4 1939 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,1]=4 1940 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1941 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1942 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1943 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 1944 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 1945 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 1946 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,1]=4 1947 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 1948 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 1949 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|1,0,0]=3 1950 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 1951 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 1952 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 1953 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 1954 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 1955 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 1956 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 1957 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 1958 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 1959 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 1960 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|1,0,0]=3 1961 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 1962 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 1963 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 1964 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 1965 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 1966 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 1967 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 1968 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 1969 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 1970 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 1971 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|1,0,0]=3 1972 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|1,0,0]=3 1973 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [2,0,0,0,0,0|2,0,0]=4 1974 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [2,0,0,0,0,0|2,0,0]=4 1975 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|1,0,1]=4 1976 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|1,0,1]=4 1977 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|1,0,1]=4 1978 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|1,0,1]=4 1979 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|1,0,1]=4 1980 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|1,0,1]=4 1981 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|1,0,1]=4 1982 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [2,0,0,0,0,0|2,0,0]=4 1983 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [2,0,0,0,0,0|2,0,0]=4 1984 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [2,0,0,0,0,0|2,0,0]=4 1985 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|1,0,1]=4 1986 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [2,0,0,0,0,0|1,0,1]=4 1987 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [2,0,0,0,0,0|1,0,1]=4 1988 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [2,0,0,0,0,0|1,0,1]=4 1989 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|1,0,0]=3 1990 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|1,0,0]=3 1991 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [2,0,0,0,0,0|2,0,0]=4 1992 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [2,0,0,0,0,0|2,0,0]=4 1993 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [2,0,0,0,0,0|2,0,0]=4 1994 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [2,0,0,0,0,0|2,0,0]=4 1995 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [2,0,0,0,0,0|2,0,0]=4 1996 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [2,0,0,0,0,0|1,0,0]=3 1997 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [2,0,0,0,0,0|1,0,0]=3 1998 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [2,0,0,0,0,0|1,0,0]=3 1999 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [2,0,0,0,0,0|2,0,0]=4 2000 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [2,0,0,0,0,0|1,0,1]=4 2001 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [2,0,0,0,0,0|1,0,1]=4 2002 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 2003 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,0]=3 2004 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [2,0,0,0,0,0|2,0,0]=4 2005 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [2,0,0,0,0,0|2,0,0]=4 2006 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [2,0,0,0,0,0|1,0,0]=3 2007 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [2,0,0,0,0,0|1,0,0]=3 2008 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [2,0,0,0,0,0|2,0,0]=4 2009 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [2,0,0,0,0,0|2,0,0]=4 2010 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [2,0,0,0,0,0|2,0,0]=4 2011 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [2,0,0,0,0,0|2,0,0]=4 2012 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 2013 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 2014 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|2,0,0]=4 2015 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|2,0,0]=4 2016 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 2017 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 2018 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 2019 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 2020 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 2021 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 2022 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 2023 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 2024 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2025 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2026 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 2027 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 2028 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 2029 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 2030 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 2031 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [2,0,0,0,0,0|2,0,0]=4 2032 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [2,0,0,0,0,0|2,0,0]=4 2033 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [2,0,0,0,0,0|2,0,0]=4 2034 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 2035 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 2036 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2037 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 2038 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 2039 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 2040 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2041 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2042 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 2043 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 2044 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2045 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2046 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 2047 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 2048 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 2049 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 2050 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 2051 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2052 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2053 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 2054 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 2055 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 2056 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 2057 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 2058 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 2059 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 2060 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 2061 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 2062 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [2,0,0,0,0,0|0,0,2]=4 2063 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [2,0,0,0,0,0|0,0,2]=4 2064 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,0]=2 2065 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,0]=2 2066 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,0]=2 2067 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 2068 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 2069 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 2070 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [2,0,0,0,0,0|2,0,0]=4 2071 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,2]=4 2072 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,2]=4 2073 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,2]=4 2074 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,2]=4 2075 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,2]=4 2076 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,1]=4 2077 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,1]=4 2078 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,1]=4 2079 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,1]=4 2080 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,1]=4 2081 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,1]=4 2082 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 2083 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [2,0,0,0,0,0|1,0,1]=4 2084 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [2,0,0,0,0,0|1,0,1]=4 2085 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,1]=4 2086 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,1]=4 2087 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 2088 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 2089 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,1]=4 2090 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,1]=4 2091 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,1]=4 2092 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,1]=4 2093 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,1]=4 2094 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,1]=4 2095 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [1,1,0,0,0,0|1,0,1]=4 2096 B9R0.4 C/C=C/CC(=O)C=C(C)Cl 1458a_200042562850_100102629194 [1,1,0,0,0,0|1,0,1]=4 2097 B9R0.4 C/C=C/CC(=O)C=C(C)I 1458a_100025716642_100102629194 [1,1,0,0,0,0|1,0,1]=4 2098 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [1,1,0,0,0,0|1,0,0]=3 2099 B9R0.4 C/C=C/CC(=O)CN(C)C 1458a_100000750896_100102629194 [1,1,0,0,0,0|2,0,0]=4 2100 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [1,1,0,0,0,0|1,0,0]=3 2101 B9R0.4 C/C=C/CC(=O)C[S+](C)C 1458a_200159257847_100102629194 [1,1,0,0,0,0|2,0,0]=4 2102 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [1,1,0,0,0,0|1,0,1]=4 2103 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [1,1,0,0,0,0|1,0,1]=4 2104 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|1,0,1]=4 2105 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|1,0,1]=4 2106 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [1,1,0,0,0,0|2,0,0]=4 2107 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [1,1,0,0,0,0|2,0,0]=4 2108 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [1,1,0,0,0,0|1,0,1]=4 2109 B9R0.4 CC=CCC(=O)C=C(C)Cl 1458a_200042562850_100000070051 [1,1,0,0,0,0|1,0,1]=4 2110 B9R0.4 CC=CCC(=O)C=C(C)I 1458a_100025716642_100000070051 [1,1,0,0,0,0|1,0,1]=4 2111 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [1,1,0,0,0,0|1,0,0]=3 2112 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [1,1,0,0,0,0|1,0,0]=3 2113 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [1,1,0,0,0,0|1,0,0]=3 2114 B9R0.4 CC=CCC(=O)CC(F)F 1458a_100121576822_100011934356 [1,1,0,0,0,0|2,0,0]=4 2115 B9R0.4 CC=CCC(=O)CN(C)C 1458a_100000750896_100000070051 [1,1,0,0,0,0|2,0,0]=4 2116 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [1,1,0,0,0,0|1,0,0]=3 2117 B9R0.4 CC=CCC(=O)C[S+](C)C 1458a_200159257847_100000070051 [1,1,0,0,0,0|2,0,0]=4 2118 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [1,1,0,0,0,0|1,0,0]=3 2119 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [1,1,0,0,0,0|1,0,0]=3 2120 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [1,1,0,0,0,0|1,0,0]=3 2121 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [1,1,0,0,0,0|1,0,0]=3 2122 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [1,1,0,0,0,0|1,0,0]=3 2123 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [1,1,0,0,0,0|1,0,0]=3 2124 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [1,1,0,0,0,0|2,0,0]=4 2125 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [1,1,0,0,0,0|1,0,0]=3 2126 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [1,1,0,0,0,0|1,0,0]=3 2127 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [1,1,0,0,0,0|1,0,0]=3 2128 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,1]=4 2129 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,1]=4 2130 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,1]=4 2131 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,1]=4 2132 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2133 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2134 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2135 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 2136 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [1,1,0,0,0,0|2,0,0]=4 2137 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [1,1,0,0,0,0|2,0,0]=4 2138 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|1,0,0]=3 2139 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|2,0,0]=4 2140 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|2,0,0]=4 2141 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2142 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2143 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2144 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,1,0,0,0,0|2,0,0]=4 2145 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 2146 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|1,0,0]=3 2147 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|2,0,0]=4 2148 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|2,0,0]=4 2149 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2150 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2151 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2152 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 2153 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [1,1,0,0,0,0|2,0,0]=4 2154 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [1,1,0,0,0,0|2,0,0]=4 2155 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|1,0,0]=3 2156 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|1,0,0]=3 2157 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|1,0,1]=4 2158 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|1,0,1]=4 2159 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [1,1,0,0,0,0|2,0,0]=4 2160 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [1,1,0,0,0,0|2,0,0]=4 2161 B9R0.4 COC=CC(=O)NC(C)C 1626a_100138425928_100016268678 [1,1,0,0,0,0|2,0,0]=4 2162 B9R0.4 COC=CC(=O)NC(C)C 240690a_100138425928_100016268678 [1,1,0,0,0,0|2,0,0]=4 2163 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|1,0,1]=4 2164 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|1,0,1]=4 2165 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [1,1,0,0,0,0|1,0,1]=4 2166 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [1,1,0,0,0,0|2,0,0]=4 2167 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [1,1,0,0,0,0|1,0,0]=3 2168 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [1,1,0,0,0,0|2,0,0]=4 2169 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [1,1,0,0,0,0|2,0,0]=4 2170 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [1,1,0,0,0,0|1,0,0]=3 2171 B9R0.8 C/C=C/CC(=O)C(O)CO 1458a_100011215603_100102629194 [1,1,0,0,0,0|2,0,0]=4 2172 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [1,1,0,0,0,0|1,0,1]=4 2173 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [1,1,0,0,0,0|2,0,0]=4 2174 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [1,1,0,0,0,0|1,0,0]=3 2175 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [1,1,0,0,0,0|1,0,0]=3 2176 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [1,1,0,0,0,0|2,0,0]=4 2177 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [1,1,0,0,0,0|2,0,0]=4 2178 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [1,1,0,0,0,0|1,0,0]=3 2179 B9R0.8 CC=CCC(=O)C(O)CO 1458a_100011215603_100000070051 [1,1,0,0,0,0|2,0,0]=4 2180 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [1,1,0,0,0,0|1,0,0]=3 2181 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [1,1,0,0,0,0|1,0,0]=3 2182 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [1,1,0,0,0,0|1,0,0]=3 2183 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [1,1,0,0,0,0|1,0,0]=3 2184 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [1,1,0,0,0,0|2,0,0]=4 2185 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [1,1,0,0,0,0|1,0,0]=3 2186 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [1,1,0,0,0,0|1,0,0]=3 2187 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [1,1,0,0,0,0|1,0,0]=3 2188 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [1,1,0,0,0,0|1,0,0]=3 2189 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,1]=4 2190 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,1]=4 2191 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,1]=4 2192 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2193 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2194 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2195 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2196 B9R0.8 CCN(C)C(=O)C=COC 1626a_100000225621_100016268678 [1,1,0,0,0,0|2,0,0]=4 2197 B9R0.8 CCN(C)C(=O)C=COC 240690a_100000225621_100016268678 [1,1,0,0,0,0|2,0,0]=4 2198 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 2199 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|2,0,0]=4 2200 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 2201 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 2202 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 2203 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|2,0,0]=4 2204 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 2205 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|2,0,0]=4 2206 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 2207 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 2208 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 2209 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 2210 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|2,0,0]=4 2211 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|2,0,0]=4 2212 B9R0.18 C#CCCC(=O)C/C=C/C 1458a_100000692101_100102629194 [1,1,0,0,0,0|1,0,1]=4 2213 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [1,1,0,0,0,0|1,0,1]=4 2214 B9R0.18 C#CCCC(=O)CC=CC 1458a_100000692101_100000070051 [1,1,0,0,0,0|1,0,1]=4 2215 B9R0.18 C#CCCC(=O)CC=CC 1458a_100121576822_100000753159 [1,1,0,0,0,0|1,0,1]=4 2216 B9R0.18 C#CCNC(=O)C=CCC 11a_100000212058_100000212282 [1,1,0,0,0,0|1,0,1]=4 2217 B9R0.18 C#CCNC(=O)C=CCC 1626a_100000212058_100000212282 [1,1,0,0,0,0|1,0,1]=4 2218 B9R0.18 C#CCNC(=O)C=CCC 240690a_100000212058_100000212282 [1,1,0,0,0,0|1,0,1]=4 2219 B9R0.18 C#CCNC(=O)CC=CC 11a_100000212058_100121576822 [1,1,0,0,0,0|1,0,1]=4 2220 B9R0.18 C#CCNC(=O)CC=CC 1626a_100000212058_100121576822 [1,1,0,0,0,0|1,0,1]=4 2221 B9R0.18 C#CCNC(=O)CC=CC 240690a_100000212058_100121576822 [1,1,0,0,0,0|1,0,1]=4 2222 B9R0.18 C#CCNC(=O)CC=CC 527a_100000212058_100121576822 [1,1,0,0,0,0|1,0,1]=4 2223 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [1,1,0,0,0,0|1,0,0]=3 2224 B9R0.18 C/C=C/CC(=O)C#CCO 1458a_100000049017_100102629194 [1,1,0,0,0,0|1,0,1]=4 2225 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [1,1,0,0,0,0|1,0,0]=3 2226 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [1,1,0,0,0,0|1,0,1]=4 2227 B9R0.18 C/C=C/CC(=O)CCC#N 1458a_100011934036_100102629194 [1,1,0,0,0,0|1,0,1]=4 2228 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|1,0,0]=3 2229 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [1,1,0,0,0,0|1,0,0]=3 2230 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [1,1,0,0,0,0|1,0,0]=3 2231 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,0]=2 2232 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [1,1,0,0,0,0|0,1,0]=3 2233 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [1,1,0,0,0,0|2,0,0]=4 2234 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [1,1,0,0,0,0|2,0,0]=4 2235 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [1,1,0,0,0,0|2,0,0]=4 2236 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [1,1,0,0,0,0|1,0,1]=4 2237 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [1,1,0,0,0,0|1,0,1]=4 2238 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [1,1,0,0,0,0|1,0,1]=4 2239 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [1,1,0,0,0,0|1,0,1]=4 2240 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,1,0,0,0,0|0,0,2]=4 2241 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [1,1,0,0,0,0|1,0,1]=4 2242 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [1,1,0,0,0,0|1,0,1]=4 2243 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [1,1,0,0,0,0|1,0,1]=4 2244 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [1,1,0,0,0,0|1,0,1]=4 2245 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [1,1,0,0,0,0|1,0,1]=4 2246 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,1,0,0,0,0|1,0,1]=4 2247 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,1,0,0,0,0|1,0,1]=4 2248 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,1,0,0,0,0|1,0,1]=4 2249 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,1,0,0,0,0|1,0,1]=4 2250 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [1,1,0,0,0,0|1,0,1]=4 2251 B9R0.18 CC#CCC(=O)CC=CC 1458a_100121576822_100000748600 [1,1,0,0,0,0|1,0,1]=4 2252 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [1,1,0,0,0,0|0,0,2]=4 2253 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [1,1,0,0,0,0|1,0,0]=3 2254 B9R0.18 CC=CCC(=O)C#CCO 1458a_100000049017_100000070051 [1,1,0,0,0,0|1,0,1]=4 2255 B9R0.18 CC=CCC(=O)C/C=C/C 1458a_100121576822_100102629194 [1,1,0,0,0,0|1,0,1]=4 2256 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [1,1,0,0,0,0|1,0,0]=3 2257 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [1,1,0,0,0,0|1,0,1]=4 2258 B9R0.18 CC=CCC(=O)CC=CC 1458a_100121576822_100000070051 [1,1,0,0,0,0|1,0,1]=4 2259 B9R0.18 CC=CCC(=O)CCC#N 1458a_100011934036_100000070051 [1,1,0,0,0,0|1,0,1]=4 2260 B9R0.18 CC=CCC(=O)CCC#N 1458a_100121576822_100011215226 [1,1,0,0,0,0|1,0,1]=4 2261 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|1,0,0]=3 2262 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|1,0,0]=3 2263 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [1,1,0,0,0,0|1,0,0]=3 2264 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [1,1,0,0,0,0|1,0,0]=3 2265 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [1,1,0,0,0,0|1,0,0]=3 2266 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [1,1,0,0,0,0|1,0,0]=3 2267 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [1,1,0,0,0,0|1,0,0]=3 2268 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [1,1,0,0,0,0|1,0,0]=3 2269 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,0]=2 2270 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [1,1,0,0,0,0|0,1,0]=3 2271 B9R0.18 CC=CCC(=O)NCC#N 1626a_100000734998_100121576822 [1,1,0,0,0,0|1,0,1]=4 2272 B9R0.18 CC=CCC(=O)NCC#N 527a_100000734998_100121576822 [1,1,0,0,0,0|1,0,1]=4 2273 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [1,1,0,0,0,0|1,0,0]=3 2274 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [1,1,0,0,0,0|1,0,0]=3 2275 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [1,1,0,0,0,0|1,0,0]=3 2276 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [1,1,0,0,0,0|1,0,0]=3 2277 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [1,1,0,0,0,0|1,0,0]=3 2278 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [1,1,0,0,0,0|1,0,0]=3 2279 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [1,1,0,0,0,0|1,0,0]=3 2280 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [1,1,0,0,0,0|1,0,0]=3 2281 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [1,1,0,0,0,0|1,0,0]=3 2282 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [1,1,0,0,0,0|1,0,0]=3 2283 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [1,1,0,0,0,0|1,0,0]=3 2284 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [1,1,0,0,0,0|2,0,0]=4 2285 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|1,0,1]=4 2286 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [1,1,0,0,0,0|1,0,1]=4 2287 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|1,0,0]=3 2288 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|1,0,0]=3 2289 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|1,0,0]=3 2290 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|1,0,0]=3 2291 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|1,0,0]=3 2292 B9R0.18 CCC=CC(=O)NCC#N 1626a_100000734998_100000212282 [1,1,0,0,0,0|1,0,1]=4 2293 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|1,0,0]=3 2294 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|1,0,0]=3 2295 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|1,0,0]=3 2296 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [1,1,0,0,0,0|1,0,0]=3 2297 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [1,1,0,0,0,0|1,0,0]=3 2298 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [1,1,0,0,0,0|1,0,0]=3 2299 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [1,1,0,0,0,0|1,0,0]=3 2300 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [1,1,0,0,0,0|1,0,0]=3 2301 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|2,0,0]=4 2302 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,1]=4 2303 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 2304 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|1,0,1]=4 2305 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,1]=4 2306 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,1]=4 2307 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,1]=4 2308 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,1]=4 2309 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,1]=3 2310 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,1,1]=4 2311 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2312 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2313 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2314 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 2315 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2316 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2317 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2318 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2319 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 2320 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 2321 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,1]=4 2322 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [1,1,0,0,0,0|2,0,0]=4 2323 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [1,1,0,0,0,0|2,0,0]=4 2324 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [1,1,0,0,0,0|2,0,0]=4 2325 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [1,1,0,0,0,0|2,0,0]=4 2326 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2327 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2328 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2329 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,1]=4 2330 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 2331 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [1,1,0,0,0,0|2,0,0]=4 2332 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [1,1,0,0,0,0|2,0,0]=4 2333 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [1,1,0,0,0,0|2,0,0]=4 2334 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [1,1,0,0,0,0|2,0,0]=4 2335 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [1,1,0,0,0,0|2,0,0]=4 2336 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [1,1,0,0,0,0|2,0,0]=4 2337 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,0]=3 2338 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,0]=3 2339 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,0]=3 2340 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,0]=3 2341 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,1,0,0,0,0|2,0,0]=4 2342 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,1,0,0,0,0|2,0,0]=4 2343 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|1,0,1]=4 2344 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|1,0,1]=4 2345 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|1,0,1]=4 2346 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|1,0,1]=4 2347 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|1,0,1]=4 2348 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [1,1,0,0,0,0|2,0,0]=4 2349 B9R0.18 CCNNC(=O)C=COC 22a_100000756455_100016268678 [1,1,0,0,0,0|2,0,0]=4 2350 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [1,1,0,0,0,0|2,0,0]=4 2351 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [1,1,0,0,0,0|2,0,0]=4 2352 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,1]=4 2353 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 2354 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,1]=4 2355 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,1]=4 2356 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2357 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2358 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2359 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2360 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 2361 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 2362 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,1,0,0,0,0|2,0,0]=4 2363 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|2,0,0]=4 2364 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,1,0,0,0,0|2,0,0]=4 2365 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,1,0,0,0,0|2,0,0]=4 2366 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2367 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2368 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2369 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2370 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 2371 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 2372 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [1,1,0,0,0,0|2,0,0]=4 2373 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [1,1,0,0,0,0|2,0,0]=4 2374 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [1,1,0,0,0,0|2,0,0]=4 2375 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [1,1,0,0,0,0|2,0,0]=4 2376 B9R0.18 COC=CC(=O)NCCF 1626a_100000724931_100016268678 [1,1,0,0,0,0|2,0,0]=4 2377 B9R0.18 COC=CC(=O)NCCF 240690a_100000724931_100016268678 [1,1,0,0,0,0|2,0,0]=4 2378 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [1,1,0,0,0,0|2,0,0]=4 2379 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [1,1,0,0,0,0|0,0,2]=4 2380 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,1,0,0,0,0|2,0,0]=4 2381 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [1,1,0,0,0,0|1,0,1]=4 2382 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [1,1,0,0,0,0|1,0,1]=4 2383 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [1,1,0,0,0,0|0,0,1]=3 2384 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [1,1,0,0,0,0|0,0,2]=4 2385 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [1,1,0,0,0,0|1,0,1]=4 2386 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [1,1,0,0,0,0|1,0,1]=4 2387 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [1,1,0,0,0,0|2,0,0]=4 2388 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [1,1,0,0,0,0|2,0,0]=4 2389 B9R0.34 CCC(=CC(=O)NNC)C 22a_100016993582_100020758463 [1,1,0,0,0,0|2,0,0]=4 2390 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [1,1,0,0,0,0|2,0,0]=4 2391 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [1,1,0,0,0,0|2,0,0]=4 2392 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [1,1,0,0,0,0|2,0,0]=4 2393 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [1,1,0,0,0,0|2,0,0]=4 2394 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,1,0,0,0,0|2,0,0]=4 2395 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,1,0,0,0,0|1,0,0]=3 2396 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|1,0,0]=3 2397 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|1,0,0]=3 2398 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,1,0,0,0,0|2,0,0]=4 2399 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,1,0,0,0,0|2,0,0]=4 2400 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,1,0,0,0,0|2,0,0]=4 2401 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,1,0,0,0,0|2,0,0]=4 2402 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|1,0,1]=4 2403 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|1,0,1]=4 2404 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,1]=4 2405 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,1]=4 2406 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,1,0,0,0,0|2,0,0]=4 2407 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,1,0,0,0,0|2,0,0]=4 2408 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,1,0,0,0,0|2,0,0]=4 2409 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|1,0,1]=4 2410 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,1,0,0,0,0|2,0,0]=4 2411 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [1,1,0,0,0,0|1,0,0]=3 2412 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [1,1,0,0,0,0|1,0,0]=3 2413 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,1,0,0,0,0|1,0,0]=3 2414 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [1,1,0,0,0,0|2,0,0]=4 2415 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [1,1,0,0,0,0|2,0,0]=4 2416 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2417 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2418 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2419 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,1]=4 2420 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 2421 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,1,0,0,0,0|2,0,0]=4 2422 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 2423 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 2424 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,1,0,0,0,0|2,0,0]=4 2425 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 2426 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|0,0,0]=2 2427 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|0,0,0]=2 2428 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,1,0,0,0,0|1,0,0]=3 2429 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,1,0,0,0,0|1,0,0]=3 2430 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,1,0,0,0,0|1,0,0]=3 2431 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|1,0,1]=4 2432 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|1,0,1]=4 2433 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|1,0,1]=4 2434 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|1,0,1]=4 2435 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|1,0,1]=4 2436 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|1,0,1]=4 2437 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|1,0,0]=3 2438 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|1,0,0]=3 2439 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|1,0,0]=3 2440 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|1,0,0]=3 2441 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|1,0,0]=3 2442 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|1,0,0]=3 2443 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|1,0,0]=3 2444 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|1,0,1]=4 2445 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|1,0,1]=4 2446 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|1,0,1]=4 2447 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|1,0,1]=4 2448 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|1,0,1]=4 2449 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|1,0,1]=4 2450 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|1,0,1]=4 2451 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|1,0,1]=4 2452 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|1,0,1]=4 2453 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [1,1,0,0,0,0|1,0,0]=3 2454 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [1,1,0,0,0,0|2,0,0]=4 2455 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [1,1,0,0,0,0|2,0,0]=4 2456 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [1,1,0,0,0,0|1,0,0]=3 2457 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [1,1,0,0,0,0|1,0,0]=3 2458 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [1,1,0,0,0,0|1,0,0]=3 2459 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [1,1,0,0,0,0|2,0,0]=4 2460 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [1,1,0,0,0,0|1,0,1]=4 2461 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,1]=4 2462 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,1]=4 2463 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [1,1,0,0,0,0|2,0,0]=4 2464 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [1,1,0,0,0,0|2,0,0]=4 2465 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|1,0,1]=4 2466 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 2467 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 2468 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,1]=4 2469 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|1,0,1]=4 2470 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [1,1,0,0,0,0|2,0,0]=4 2471 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [1,1,0,0,0,0|2,0,0]=4 2472 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,1,0,0,0,0|1,0,0]=3 2473 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,1,0,0,0,0|1,0,0]=3 2474 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 2475 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [1,1,0,0,0,0|2,0,0]=4 2476 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 2477 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 2478 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 2479 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [1,1,0,0,0,0|2,0,0]=4 2480 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 2481 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 2482 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 2483 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 2484 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [1,1,0,0,0,0|2,0,0]=4 2485 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [1,1,0,0,0,0|2,0,0]=4 2486 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|1,0,0]=3 2487 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,0]=3 2488 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [1,1,0,0,0,0|1,1,0]=4 2489 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|1,0,1]=4 2490 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|1,0,1]=4 2491 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|1,0,1]=4 2492 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|1,0,1]=4 2493 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|1,0,0]=3 2494 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|1,0,0]=3 2495 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|1,0,0]=3 2496 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|2,0,0]=4 2497 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|2,0,0]=4 2498 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,0]=3 2499 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,0]=3 2500 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,0]=3 2501 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 2502 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 2503 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|1,0,0]=3 2504 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|2,0,0]=4 2505 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|1,0,1]=4 2506 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|1,0,1]=4 2507 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 2508 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 2509 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 2510 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [1,1,0,0,0,0|1,0,1]=4 2511 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [1,1,0,0,0,0|2,0,0]=4 2512 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [1,1,0,0,0,0|2,0,0]=4 2513 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [1,1,0,0,0,0|2,0,0]=4 2514 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [1,1,0,0,0,0|2,0,0]=4 2515 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [1,1,0,0,0,0|2,0,0]=4 2516 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [1,1,0,0,0,0|1,0,1]=4 2517 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [1,1,0,0,0,0|1,0,0]=3 2518 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [1,1,0,0,0,0|1,0,0]=3 2519 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [1,1,0,0,0,0|1,0,0]=3 2520 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|1,0,1]=4 2521 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|1,0,1]=4 2522 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|1,0,1]=4 2523 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [1,1,0,0,0,0|2,0,0]=4 2524 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,1,0,0,0,0|2,0,0]=4 2525 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,1,0,0,0,0|2,0,0]=4 2526 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,1,0,0,0,0|2,0,0]=4 2527 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [1,1,0,0,0,0|2,0,0]=4 2528 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,1,0,0,0,0|2,0,0]=4 2529 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,1,0,0,0,0|2,0,0]=4 2530 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,1,0,0,0,0|2,0,0]=4 2531 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [1,1,0,0,0,0|1,0,0]=3 2532 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [1,1,0,0,0,0|1,0,0]=3 2533 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [1,1,0,0,0,0|1,0,0]=3 2534 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [1,1,0,0,0,0|1,0,0]=3 2535 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [1,1,0,0,0,0|1,0,0]=3 2536 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,1]=4 2537 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,1]=4 2538 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 2539 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 2540 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 2541 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2542 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2543 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2544 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2545 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2546 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2547 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [1,1,0,0,0,0|2,0,0]=4 2548 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [1,1,0,0,0,0|2,0,0]=4 2549 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 2550 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 2551 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [1,1,0,0,0,0|2,0,0]=4 2552 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [1,1,0,0,0,0|2,0,0]=4 2553 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 2554 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 2555 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [1,1,0,0,0,0|2,0,0]=4 2556 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 2557 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [1,1,0,0,0,0|2,0,0]=4 2558 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [1,1,0,0,0,0|2,0,0]=4 2559 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 2560 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 2561 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 2562 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [1,1,0,0,0,0|2,0,0]=4 2563 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [1,1,0,0,0,0|2,0,0]=4 2564 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [1,1,0,0,0,0|0,0,1]=3 2565 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [1,1,0,0,0,0|0,0,1]=3 2566 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|0,0,1]=3 2567 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|0,0,1]=3 2568 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [1,1,0,0,0,0|1,0,1]=4 2569 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [1,1,0,0,0,0|1,0,1]=4 2570 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [1,1,0,0,0,0|1,0,1]=4 2571 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [1,1,0,0,0,0|1,0,1]=4 2572 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [1,1,0,0,0,0|1,0,1]=4 2573 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [1,1,0,0,0,0|1,0,1]=4 2574 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [1,1,0,0,0,0|1,0,0]=3 2575 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [1,1,0,0,0,0|1,0,0]=3 2576 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [1,1,0,0,0,0|1,0,0]=3 2577 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [1,1,0,0,0,0|1,0,0]=3 2578 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [1,1,0,0,0,0|1,0,0]=3 2579 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [1,1,0,0,0,0|1,0,0]=3 2580 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2581 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,1,0,0,0,0|1,0,1]=4 2582 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [1,1,0,0,0,0|2,0,0]=4 2583 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [1,1,0,0,0,0|2,0,0]=4 2584 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [1,1,0,0,0,0|2,0,0]=4 2585 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [1,1,0,0,0,0|2,0,0]=4 2586 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|1,0,1]=4 2587 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|1,0,1]=4 2588 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|0,0,1]=3 2589 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|0,0,1]=3 2590 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|0,0,1]=3 2591 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|0,1,1]=4 2592 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|0,1,1]=4 2593 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|2,0,0]=4 2594 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|2,0,0]=4 2595 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 2596 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 2597 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|2,0,0]=4 2598 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|2,0,0]=4 2599 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|2,0,0]=4 2600 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|2,0,0]=4 2601 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|2,0,0]=4 2602 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|2,0,0]=4 2603 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|2,0,0]=4 2604 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|2,0,0]=4 2605 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|2,0,0]=4 2606 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|2,0,0]=4 2607 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|2,0,0]=4 2608 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|2,0,0]=4 2609 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|2,0,0]=4 2610 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|2,0,0]=4 2611 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [1,1,0,0,0,0|0,0,2]=4 2612 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [1,1,0,0,0,0|0,0,2]=4 2613 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [1,1,0,0,0,0|0,0,2]=4 2614 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [1,1,0,0,0,0|0,0,2]=4 2615 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [1,1,0,0,0,0|0,0,2]=4 2616 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [1,1,0,0,0,0|0,0,2]=4 2617 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,1,0,0,0,0|0,0,1]=3 2618 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,1,0,0,0,0|0,0,1]=3 2619 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,1,0,0,0,0|1,0,1]=4 2620 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,1,0,0,0,0|1,0,1]=4 2621 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,1,0,0,0,0|1,0,1]=4 2622 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,1,0,0,0,0|1,0,1]=4 2623 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,1,0,0,0,0|1,0,1]=4 2624 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,1,0,0,0,0|1,0,1]=4 2625 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,1,0,0,0,0|1,0,1]=4 2626 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,1,0,0,0,0|1,0,1]=4 2627 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,1,0,0,0,0|1,0,1]=4 2628 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [1,1,0,0,0,0|0,0,2]=4 2629 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,1,0,0,0,0|0,0,2]=4 2630 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,1,0,0,0,0|0,0,2]=4 2631 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,1,0,0,0,0|0,0,1]=3 2632 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,1,0,0,0,0|0,0,1]=3 2633 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,1,0,0,0,0|0,0,1]=3 2634 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,1,0,0,0,0|0,0,1]=3 2635 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,1,0,0,0,0|0,0,1]=3 2636 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,1,0,0,0,0|0,0,1]=3 2637 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,1,0,0,0,0|0,0,1]=3 2638 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,1,0,0,0,0|0,0,1]=3 2639 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,1,0,0,0,0|0,0,1]=3 2640 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,1,0,0,0,0|0,0,1]=3 2641 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,1,0,0,0,0|0,1,1]=4 2642 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,1,0,0,0,0|0,1,1]=4 2643 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,1,0,0,0,0|0,1,1]=4 2644 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,1,0,0,0,0|0,1,1]=4 2645 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,1,0,0,0,0|0,1,1]=4 2646 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,1,0,0,0,0|0,1,1]=4 2647 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,1,0,0,0,0|0,1,1]=4 2648 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,1,0,0,0,0|0,1,1]=4 2649 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,1,0,0,0,0|0,1,1]=4 2650 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,1,0,0,0,0|0,1,1]=4 2651 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,1,0,0,0,0|1,0,1]=4 2652 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,1,0,0,0,0|1,0,1]=4 2653 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [1,1,0,0,0,0|2,0,0]=4 2654 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [1,1,0,0,0,0|2,0,0]=4 2655 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [1,1,0,0,0,0|2,0,0]=4 2656 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [1,1,0,0,0,0|2,0,0]=4 2657 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [1,1,0,0,0,0|2,0,0]=4 2658 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,1,0,0,0,0|1,0,1]=4 2659 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,1,0,0,0,0|1,0,1]=4 2660 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,1,0,0,0,0|1,0,1]=4 2661 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [1,1,0,0,0,0|2,0,0]=4 2662 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [1,1,0,0,0,0|2,0,0]=4 2663 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [1,1,0,0,0,0|2,0,0]=4 2664 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [1,1,0,0,0,0|2,0,0]=4 2665 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,1,0,0,0,0|2,0,0]=4 2666 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [1,1,0,0,0,0|2,0,0]=4 2667 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [1,1,0,0,0,0|2,0,0]=4 2668 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2669 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [1,1,0,0,0,0|2,0,0]=4 2670 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2671 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,1,0,0,0,0|1,0,1]=4 2672 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,1,0,0,0,0|1,0,1]=4 2673 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [1,1,0,0,0,0|2,0,0]=4 2674 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [1,1,0,0,0,0|2,0,0]=4 2675 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,1,0,0,0,0|2,0,0]=4 2676 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,1,0,0,0,0|2,0,0]=4 2677 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [1,1,0,0,0,0|2,0,0]=4 2678 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [1,1,0,0,0,0|2,0,0]=4 2679 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [1,1,0,0,0,0|2,0,0]=4 2680 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [1,1,0,0,0,0|2,0,0]=4 2681 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,1,0,0,0,0|0,0,1]=3 2682 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,1,0,0,0,0|0,0,1]=3 2683 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [1,1,0,0,0,0|1,0,1]=4 2684 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [1,1,0,0,0,0|1,0,1]=4 2685 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,1,0,0,0,0|2,0,0]=4 2686 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,1,0,0,0,0|2,0,0]=4 2687 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [1,1,0,0,0,0|1,0,1]=4 2688 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,1,0,0,0,0|1,0,1]=4 2689 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,1,0,0,0,0|1,0,1]=4 2690 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,1,0,0,0,0|1,0,1]=4 2691 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,1,0,0,0,0|1,0,1]=4 2692 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|1,0,1]=4 2693 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|1,0,1]=4 2694 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|1,0,1]=4 2695 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|2,0,0]=4 2696 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|2,0,0]=4 2697 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|2,0,0]=4 2698 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|2,0,0]=4 2699 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|2,0,0]=4 2700 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|0,0,2]=4 2701 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 2702 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,1,0,0,0,0|1,0,1]=4 2703 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 2704 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,1,0,0,0,0|1,0,1]=4 2705 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,1,0,0,0,0|1,0,1]=4 2706 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,1,0,0,0,0|1,0,1]=4 2707 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|1,0,1]=4 2708 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [1,1,0,0,0,0|1,0,0]=3 2709 B9R0.1 CCC(=O)C/C=C/B(O)O 1458a_100000210414_100016262062 [1,1,0,0,0,0|2,0,0]=4 2710 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [1,1,0,0,0,0|0,0,0]=2 2711 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,1,0,0,0,0|0,0,2]=4 2712 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|0,0,2]=4 2713 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|0,0,2]=4 2714 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,1,0,0,0,0|0,0,2]=4 2715 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [1,1,0,0,0,0|1,0,1]=4 2716 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [1,1,0,0,0,0|1,0,1]=4 2717 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [1,1,0,0,0,0|1,0,1]=4 2718 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [1,1,0,0,0,0|1,0,1]=4 2719 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [1,1,0,0,0,0|1,0,1]=4 2720 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [1,1,0,0,0,0|1,0,1]=4 2721 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [1,1,0,0,0,0|1,0,1]=4 2722 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [1,1,0,0,0,0|1,0,1]=4 2723 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [1,1,0,0,0,0|1,0,1]=4 2724 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [1,1,0,0,0,0|1,0,1]=4 2725 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [1,1,0,0,0,0|1,0,1]=4 2726 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [1,1,0,0,0,0|1,0,1]=4 2727 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [1,1,0,0,0,0|2,0,0]=4 2728 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [1,1,0,0,0,0|1,0,0]=3 2729 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [1,1,0,0,0,0|1,0,0]=3 2730 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [1,1,0,0,0,0|1,0,0]=3 2731 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [1,1,0,0,0,0|1,0,1]=4 2732 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [1,1,0,0,0,0|1,0,1]=4 2733 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [1,1,0,0,0,0|1,0,1]=4 2734 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [1,1,0,0,0,0|1,0,1]=4 2735 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [1,1,0,0,0,0|1,0,1]=4 2736 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [1,1,0,0,0,0|1,0,1]=4 2737 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [1,1,0,0,0,0|1,0,1]=4 2738 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [1,1,0,0,0,0|1,0,1]=4 2739 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [1,1,0,0,0,0|1,0,1]=4 2740 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [1,1,0,0,0,0|1,0,1]=4 2741 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [1,1,0,0,0,0|1,0,1]=4 2742 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [1,1,0,0,0,0|1,0,1]=4 2743 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [1,1,0,0,0,0|1,0,1]=4 2744 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [1,1,0,0,0,0|1,0,1]=4 2745 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [1,1,0,0,0,0|1,0,1]=4 2746 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [1,1,0,0,0,0|1,0,1]=4 2747 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [1,1,0,0,0,0|1,0,1]=4 2748 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [1,1,0,0,0,0|1,0,1]=4 2749 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [1,1,0,0,0,0|1,0,1]=4 2750 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [1,1,0,0,0,0|1,0,1]=4 2751 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [1,1,0,0,0,0|0,0,2]=4 2752 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [1,1,0,0,0,0|1,0,1]=4 2753 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [1,1,0,0,0,0|1,0,1]=4 2754 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|0,0,1]=3 2755 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|0,0,2]=4 2756 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,1,0,0,0,0|1,0,1]=4 2757 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [1,1,0,0,0,0|1,0,1]=4 2758 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [1,1,0,0,0,0|1,0,0]=3 2759 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [1,1,0,0,0,0|1,0,1]=4 2760 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [1,1,0,0,0,0|1,0,1]=4 2761 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [1,1,0,0,0,0|1,0,1]=4 2762 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [1,1,0,0,0,0|1,0,1]=4 2763 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [1,1,0,0,0,0|1,0,1]=4 2764 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [1,1,0,0,0,0|2,0,0]=4 2765 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [1,1,0,0,0,0|2,0,0]=4 2766 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [1,1,0,0,0,0|2,0,0]=4 2767 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [1,1,0,0,0,0|2,0,0]=4 2768 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [1,1,0,0,0,0|2,0,0]=4 2769 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [1,1,0,0,0,0|2,0,0]=4 2770 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [1,1,0,0,0,0|2,0,0]=4 2771 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [1,1,0,0,0,0|2,0,0]=4 2772 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [1,1,0,0,0,0|1,0,0]=3 2773 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [1,1,0,0,0,0|2,0,0]=4 2774 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [1,1,0,0,0,0|1,0,1]=4 2775 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [1,1,0,0,0,0|1,0,1]=4 2776 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [1,1,0,0,0,0|1,0,1]=4 2777 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [1,1,0,0,0,0|1,0,1]=4 2778 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [1,1,0,0,0,0|1,0,1]=4 2779 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [1,1,0,0,0,0|1,0,1]=4 2780 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [1,1,0,0,0,0|1,0,1]=4 2781 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [1,1,0,0,0,0|1,0,1]=4 2782 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [1,1,0,0,0,0|1,0,1]=4 2783 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [1,1,0,0,0,0|1,0,1]=4 2784 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [1,1,0,0,0,0|1,0,1]=4 2785 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [1,1,0,0,0,0|1,0,1]=4 2786 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [1,1,0,0,0,0|1,0,1]=4 2787 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 2788 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 2789 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 2790 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [1,1,0,0,0,0|1,0,1]=4 2791 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [1,1,0,0,0,0|2,0,0]=4 2792 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [1,1,0,0,0,0|0,0,2]=4 2793 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [1,1,0,0,0,0|0,0,1]=3 2794 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [1,1,0,0,0,0|0,0,0]=2 2795 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [1,1,0,0,0,0|1,0,0]=3 2796 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [1,1,0,0,0,0|1,0,0]=3 2797 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [1,1,0,0,0,0|1,0,0]=3 2798 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [1,1,0,0,0,0|1,0,0]=3 2799 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [1,1,0,0,0,0|0,0,0]=2 2800 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [1,1,0,0,0,0|0,0,0]=2 2801 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [1,1,0,0,0,0|1,0,0]=3 2802 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [1,1,0,0,0,0|0,0,0]=2 2803 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [1,1,0,0,0,0|0,0,0]=2 2804 B9R0.47 CC/C=C\CN(C)C(C)C 269982a_200000211004_100103147603 [1,1,0,0,0,0|2,0,0]=4 2805 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [1,1,0,0,0,0|0,0,2]=4 2806 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [1,1,0,0,0,0|0,0,2]=4 2807 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [1,1,0,0,0,0|0,0,2]=4 2808 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [1,1,0,0,0,0|0,0,2]=4 2809 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [1,1,0,0,0,0|2,0,0]=4 2810 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [1,1,0,0,0,0|0,0,2]=4 2811 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [1,1,0,0,0,0|0,0,2]=4 2812 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [1,1,0,0,0,0|0,0,2]=4 2813 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [1,1,0,0,0,0|0,0,2]=4 2814 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|0,0,2]=4 2815 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|0,0,2]=4 2816 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [1,1,0,0,0,0|1,0,1]=4 2817 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [1,1,0,0,0,0|1,0,1]=4 2818 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [1,1,0,0,0,0|1,0,1]=4 2819 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [1,1,0,0,0,0|1,0,1]=4 2820 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [1,1,0,0,0,0|1,0,1]=4 2821 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [1,1,0,0,0,0|1,0,1]=4 2822 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [1,1,0,0,0,0|1,0,1]=4 2823 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [1,1,0,0,0,0|1,0,1]=4 2824 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [1,1,0,0,0,0|1,0,1]=4 2825 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [1,1,0,0,0,0|1,0,1]=4 2826 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [1,1,0,0,0,0|1,0,1]=4 2827 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [1,1,0,0,0,0|1,0,1]=4 2828 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [1,1,0,0,0,0|1,0,1]=4 2829 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [1,1,0,0,0,0|1,0,1]=4 2830 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [1,1,0,0,0,0|1,0,1]=4 2831 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [1,1,0,0,0,0|1,0,1]=4 2832 B9R0.50 CC/C=C\CN(CC)CC 2230a_100000724800_100103147603 [1,1,0,0,0,0|2,0,0]=4 2833 B9R0.50 CC/C=C\CN(CC)CC 269956a_100000042499_100103147603 [1,1,0,0,0,0|2,0,0]=4 2834 B9R0.50 CC/C=C\CN(CC)CC 269982a_100000724800_100103147603 [1,1,0,0,0,0|2,0,0]=4 2835 B11R0.2 C/C=C/COCC(=O)OC(C)C 34a_100016270725_100011215430 [0,2,0,0,0,0|0,0,2]=4 2836 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100011215430_100102629194 [0,2,0,0,0,0|0,0,2]=4 2837 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100102629194_100011215430 [0,2,0,0,0,0|0,0,2]=4 2838 B11R0.2 C=C(C)CC(=O)C/C=C/CCC 1458a_200016266809_100000748629 [0,2,0,0,0,0|1,0,1]=4 2839 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [0,2,0,0,0,0|1,0,1]=4 2840 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100000760027_100011217306 [0,2,0,0,0,0|1,0,1]=4 2841 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100011217306_100000760027 [0,2,0,0,0,0|1,0,1]=4 2842 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [0,2,0,0,0,0|1,0,1]=4 2843 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [0,2,0,0,0,0|1,0,1]=4 2844 B11R0.2 CC(C)OC(=O)CNCCCF 2230a_100015189416_100011215430 [0,2,0,0,0,0|1,0,1]=4 2845 B11R0.2 CC(C)OC(=O)CNCCCF 34a_100015189416_100011215430 [0,2,0,0,0,0|1,0,1]=4 2846 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [0,2,0,0,0,0|1,0,1]=4 2847 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [0,2,0,0,0,0|1,0,1]=4 2848 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [0,2,0,0,0,0|1,0,1]=4 2849 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [0,2,0,0,0,0|1,0,1]=4 2850 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011215430_100011934791 [0,2,0,0,0,0|1,0,1]=4 2851 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011934791_100011215430 [0,2,0,0,0,0|1,0,1]=4 2852 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [0,2,0,0,0,0|1,0,1]=4 2853 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [0,2,0,0,0,0|1,0,1]=4 2854 B11R0.2 CC/C=C\CCC(=O)C=C(C)C 1458a_100000211388_100015370543 [0,2,0,0,0,0|1,0,1]=4 2855 B11R0.2 CC/C=C\CCC(=O)C=C(C)Cl 1458a_200042562850_100015370543 [0,2,0,0,0,0|1,0,1]=4 2856 B11R0.2 CC/C=C\CCC(=O)C=C(C)I 1458a_100025716642_100015370543 [0,2,0,0,0,0|1,0,1]=4 2857 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [0,2,0,0,0,0|1,0,0]=3 2858 B11R0.2 CC/C=C\CCC(=O)CN(C)C 1458a_100000750896_100015370543 [0,2,0,0,0,0|2,0,0]=4 2859 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,2,0,0,0,0|1,0,0]=3 2860 B11R0.2 CC/C=C\CCC(=O)C[S+](C)C 1458a_200159257847_100015370543 [0,2,0,0,0,0|2,0,0]=4 2861 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100000070051_100011215430 [0,2,0,0,0,0|0,0,2]=4 2862 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100011215430_100000070051 [0,2,0,0,0,0|0,0,2]=4 2863 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [0,2,0,0,0,0|1,0,0]=3 2864 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,2,0,0,0,0|1,0,0]=3 2865 B11R0.2 CCC/C=C/CC(=O)CC(F)F 1458a_200016266809_100011934356 [0,2,0,0,0,0|2,0,0]=4 2866 B11R0.2 CCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016266809 [0,2,0,0,0,0|1,0,0]=3 2867 B11R0.2 CCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016266809 [0,2,0,0,0,0|1,0,0]=3 2868 B11R0.2 CCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016266809 [0,2,0,0,0,0|1,0,0]=3 2869 B11R0.2 CCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016266809 [0,2,0,0,0,0|1,0,0]=3 2870 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,2,0,0,0,0|0,0,2]=4 2871 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,2,0,0,0,0|0,0,2]=4 2872 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,2,0,0,0,0|0,0,2]=4 2873 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,2,0,0,0,0|0,0,2]=4 2874 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,2,0,0,0,0|0,0,2]=4 2875 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,2,0,0,0,0|0,0,2]=4 2876 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,2,0,0,0,0|0,0,2]=4 2877 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,2,0,0,0,0|0,0,2]=4 2878 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,2,0,0,0,0|1,0,1]=4 2879 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,2,0,0,0,0|1,0,1]=4 2880 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100000739092_100011215430 [0,2,0,0,0,0|1,0,1]=4 2881 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100011215430_100000739092 [0,2,0,0,0,0|1,0,1]=4 2882 B11R0.2 COCCNCC(=O)OC(C)C 2230a_100000209980_100011215430 [0,2,0,0,0,0|1,0,1]=4 2883 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [0,2,0,0,0,0|1,0,1]=4 2884 B11R0.2 COCCSCC(=O)OC(C)C 62a_100000233755_100011215430 [0,2,0,0,0,0|1,0,1]=4 2885 B11R0.2 COCCSCC(=O)OC(C)C 62a_100011215430_100000233755 [0,2,0,0,0,0|1,0,1]=4 2886 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000760027_100000766300 [0,2,0,0,0,0|1,0,1]=4 2887 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000766300_100000760027 [0,2,0,0,0,0|1,0,1]=4 2888 B11R0.2 CSCCNCC(=O)OC(C)C 2230a_100020590264_100011215430 [0,2,0,0,0,0|1,0,1]=4 2889 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [0,2,0,0,0,0|1,0,1]=4 2890 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [0,2,0,0,0,0|1,0,1]=4 2891 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100000212216_100011215430 [0,2,0,0,0,0|1,0,1]=4 2892 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100011215430_100000751147 [0,2,0,0,0,0|1,0,1]=4 2893 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100000760027_100011218213 [0,2,0,0,0,0|1,0,1]=4 2894 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100011218213_100000760027 [0,2,0,0,0,0|1,0,1]=4 2895 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,2,0,0,0,0|1,0,1]=4 2896 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,2,0,0,0,0|1,0,1]=4 2897 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,2,0,0,0,0|1,0,1]=4 2898 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,2,0,0,0,0|1,0,1]=4 2899 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,2,0,0,0,0|1,0,1]=4 2900 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,2,0,0,0,0|1,0,1]=4 2901 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,2,0,0,0,0|1,0,1]=4 2902 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,2,0,0,0,0|1,0,1]=4 2903 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,2,0,0,0,0|1,0,1]=4 2904 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,2,0,0,0,0|0,0,2]=4 2905 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,2,0,0,0,0|0,0,2]=4 2906 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,2,0,0,0,0|0,0,2]=4 2907 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,2,0,0,0,0|0,0,2]=4 2908 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,2,0,0,0,0|0,0,2]=4 2909 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,2,0,0,0,0|1,0,1]=4 2910 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,2,0,0,0,0|1,0,1]=4 2911 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,2,0,0,0,0|1,0,1]=4 2912 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,2,0,0,0,0|1,0,1]=4 2913 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,2,0,0,0,0|1,0,1]=4 2914 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,2,0,0,0,0|1,0,1]=4 2915 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,2,0,0,0,0|1,0,1]=4 2916 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,2,0,0,0,0|1,0,1]=4 2917 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,2,0,0,0,0|1,0,1]=4 2918 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,2,0,0,0,0|1,0,1]=4 2919 B11R0.4 C=COC(=O)COC/C=C\CC 34a_100016268518_100000036128 [0,2,0,0,0,0|0,0,2]=4 2920 B11R0.4 C=COC(=O)CSC/C=C\CC 62a_100000036128_100103147603 [0,2,0,0,0,0|0,0,2]=4 2921 B11R0.4 C=COC(=O)CSC/C=C\CC 62a_100103147603_100000036128 [0,2,0,0,0,0|0,0,2]=4 2922 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,2,0,0,0,0|1,0,1]=4 2923 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,2,0,0,0,0|1,0,1]=4 2924 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,2,0,0,0,0|1,0,1]=4 2925 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,2,0,0,0,0|1,0,1]=4 2926 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,2,0,0,0,0|1,0,1]=4 2927 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,2,0,0,0,0|1,0,1]=4 2928 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,2,0,0,0,0|1,0,0]=3 2929 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,2,0,0,0,0|1,0,0]=3 2930 B11R0.4 CC/C=C\COCC(=O)NCO 34a_100016268518_100000185155 [0,2,0,0,0,0|2,0,0]=4 2931 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,2,0,0,0,0|0,0,0]=2 2932 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,2,0,0,0,0|1,0,0]=3 2933 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,2,0,0,0,0|1,0,0]=3 2934 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,2,0,0,0,0|1,0,0]=3 2935 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,2,0,0,0,0|1,0,0]=3 2936 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100000185155_100103147603 [0,2,0,0,0,0|2,0,0]=4 2937 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100103147603_100000185155 [0,2,0,0,0,0|2,0,0]=4 2938 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,2,0,0,0,0|0,0,0]=2 2939 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,2,0,0,0,0|0,0,0]=2 2940 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,2,0,0,0,0|0,0,2]=4 2941 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,2,0,0,0,0|0,0,2]=4 2942 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,2,0,0,0,0|0,0,2]=4 2943 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,2,0,0,0,0|0,0,2]=4 2944 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,2,0,0,0,0|0,0,2]=4 2945 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,2,0,0,0,0|0,0,2]=4 2946 B11R0.4 CCC/C=C/C=CC(=O)CCC 1458a_200016258893_100000210303 [0,2,0,0,0,0|1,0,1]=4 2947 B11R0.4 CCC/C=C/C=CC(=O)NCC 11a_100015525214_200016258893 [0,2,0,0,0,0|1,0,1]=4 2948 B11R0.4 CCC/C=C/C=CC(=O)NCC 240690a_100015525214_200016258893 [0,2,0,0,0,0|1,0,1]=4 2949 B11R0.4 CCC=CC=NNC(=O)CCC 4a_100000189770_100011216943 [0,2,0,0,0,0|1,0,1]=4 2950 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,2,0,0,0,0|1,0,0]=3 2951 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,2,0,0,0,0|2,0,0]=4 2952 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,2,0,0,0,0|2,0,0]=4 2953 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,2,0,0,0,0|1,0,0]=3 2954 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,2,0,0,0,0|1,0,0]=3 2955 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,2,0,0,0,0|1,0,0]=3 2956 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,2,0,0,0,0|2,0,0]=4 2957 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|0,0,2]=4 2958 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|0,0,2]=4 2959 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|0,0,2]=4 2960 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|0,0,2]=4 2961 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|0,0,2]=4 2962 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,2,0,0,0,0|0,0,2]=4 2963 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,2,0,0,0,0|0,0,2]=4 2964 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,2,0,0,0,0|0,0,2]=4 2965 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,2,0,0,0,0|0,0,2]=4 2966 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,2,0,0,0,0|0,0,2]=4 2967 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,2,0,0,0,0|0,0,2]=4 2968 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,2,0,0,0,0|0,0,2]=4 2969 B11R0.4 CCCNN=C[CH-]C(=O)OCC 4a_100000740057_100010622808 [0,2,0,0,0,0|0,0,2]=4 2970 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,2,0,0,0,0|0,0,2]=4 2971 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,2,0,0,0,0|0,0,2]=4 2972 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,2,0,0,0,0|0,0,2]=4 2973 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,2,0,0,0,0|0,0,2]=4 2974 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,2,0,0,0,0|0,0,2]=4 2975 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,2,0,0,0,0|0,0,2]=4 2976 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,2,0,0,0,0|0,0,2]=4 2977 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,2,0,0,0,0|0,0,2]=4 2978 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,2,0,0,0,0|0,0,2]=4 2979 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,2,0,0,0,0|0,0,2]=4 2980 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,2,0,0,0,0|0,0,2]=4 2981 B11R0.4 CCNN=CC=CC(=O)OCC 4a_100000756455_100016289910 [0,2,0,0,0,0|0,0,1]=3 2982 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [0,2,0,0,0,0|0,0,2]=4 2983 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,2,0,0,0,0|0,0,2]=4 2984 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,2,0,0,0,0|0,0,2]=4 2985 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [0,2,0,0,0,0|0,0,2]=4 2986 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [0,2,0,0,0,0|0,0,2]=4 2987 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [0,2,0,0,0,0|0,0,2]=4 2988 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [0,2,0,0,0,0|0,0,2]=4 2989 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,2,0,0,0,0|0,0,2]=4 2990 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,2,0,0,0,0|0,0,2]=4 2991 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [0,2,0,0,0,0|0,0,2]=4 2992 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [0,2,0,0,0,0|0,0,2]=4 2993 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [0,2,0,0,0,0|0,0,2]=4 2994 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [0,2,0,0,0,0|0,0,2]=4 2995 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,2,0,0,0,0|0,0,2]=4 2996 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,2,0,0,0,0|0,0,2]=4 2997 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,2,0,0,0,0|0,0,2]=4 2998 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|0,0,2]=4 2999 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|0,0,2]=4 3000 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|0,0,2]=4 3001 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,2,0,0,0,0|0,0,2]=4 3002 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,2,0,0,0,0|0,0,2]=4 3003 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,2,0,0,0,0|0,0,2]=4 3004 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,2,0,0,0,0|0,0,2]=4 3005 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,2,0,0,0,0|0,0,2]=4 3006 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,2,0,0,0,0|0,0,2]=4 3007 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,2,0,0,0,0|0,0,2]=4 3008 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,2,0,0,0,0|0,0,2]=4 3009 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,2,0,0,0,0|0,0,2]=4 3010 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,2,0,0,0,0|0,0,2]=4 3011 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,2,0,0,0,0|0,0,2]=4 3012 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,2,0,0,0,0|0,0,2]=4 3013 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,2,0,0,0,0|0,0,2]=4 3014 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,2,0,0,0,0|0,0,2]=4 3015 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,2,0,0,0,0|0,0,2]=4 3016 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,2,0,0,0,0|0,0,2]=4 3017 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,2,0,0,0,0|0,0,2]=4 3018 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,2,0,0,0,0|0,0,2]=4 3019 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,2,0,0,0,0|0,0,2]=4 3020 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,2,0,0,0,0|0,0,2]=4 3021 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,2,0,0,0,0|0,0,2]=4 3022 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,2,0,0,0,0|0,0,2]=4 3023 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,2,0,0,0,0|0,0,2]=4 3024 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,2,0,0,0,0|0,0,2]=4 3025 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,2,0,0,0,0|0,0,2]=4 3026 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,2,0,0,0,0|0,0,2]=4 3027 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,2,0,0,0,0|0,0,2]=4 3028 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,2,0,0,0,0|0,0,2]=4 3029 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,2,0,0,0,0|0,0,2]=4 3030 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,2,0,0,0,0|0,0,2]=4 3031 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,2,0,0,0,0|0,0,2]=4 3032 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,2,0,0,0,0|0,0,2]=4 3033 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,2,0,0,0,0|1,0,1]=4 3034 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,2,0,0,0,0|0,0,2]=4 3035 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,2,0,0,0,0|0,0,2]=4 3036 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,2,0,0,0,0|1,0,1]=4 3037 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,2,0,0,0,0|1,0,1]=4 3038 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,2,0,0,0,0|0,0,2]=4 3039 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,2,0,0,0,0|0,0,2]=4 3040 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,2,0,0,0,0|0,0,2]=4 3041 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,2,0,0,0,0|0,0,2]=4 3042 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,2,0,0,0,0|0,0,2]=4 3043 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,2,0,0,0,0|0,0,2]=4 3044 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,2,0,0,0,0|0,0,2]=4 3045 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,2,0,0,0,0|0,0,2]=4 3046 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,2,0,0,0,0|0,0,2]=4 3047 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,2,0,0,0,0|0,0,2]=4 3048 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,2,0,0,0,0|0,0,2]=4 3049 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,2,0,0,0,0|0,0,2]=4 3050 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,2,0,0,0,0|0,0,2]=4 3051 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,2,0,0,0,0|0,0,2]=4 3052 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,2,0,0,0,0|0,0,2]=4 3053 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,2,0,0,0,0|0,0,2]=4 3054 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,2,0,0,0,0|0,0,2]=4 3055 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,2,0,0,0,0|0,0,2]=4 3056 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,2,0,0,0,0|0,0,2]=4 3057 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,2,0,0,0,0|0,0,2]=4 3058 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,2,0,0,0,0|0,0,2]=4 3059 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,2,0,0,0,0|0,0,2]=4 3060 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,2,0,0,0,0|0,0,2]=4 3061 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,2,0,0,0,0|0,0,2]=4 3062 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,2,0,0,0,0|0,0,2]=4 3063 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,2,0,0,0,0|0,0,2]=4 3064 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,2,0,0,0,0|0,0,2]=4 3065 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,2,0,0,0,0|0,0,2]=4 3066 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,2,0,0,0,0|0,0,2]=4 3067 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,2,0,0,0,0|0,0,2]=4 3068 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,2,0,0,0,0|0,0,2]=4 3069 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,2,0,0,0,0|0,0,2]=4 3070 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,2,0,0,0,0|0,0,2]=4 3071 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,2,0,0,0,0|0,0,2]=4 3072 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,2,0,0,0,0|0,0,2]=4 3073 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,2,0,0,0,0|0,0,2]=4 3074 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,2,0,0,0,0|1,0,1]=4 3075 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,2,0,0,0,0|1,0,1]=4 3076 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,2,0,0,0,0|1,0,1]=4 3077 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,2,0,0,0,0|1,0,1]=4 3078 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,2,0,0,0,0|1,0,1]=4 3079 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,2,0,0,0,0|1,0,1]=4 3080 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,2,0,0,0,0|0,0,2]=4 3081 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,2,0,0,0,0|0,0,2]=4 3082 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,2,0,0,0,0|0,0,2]=4 3083 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,2,0,0,0,0|0,0,2]=4 3084 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,2,0,0,0,0|0,0,2]=4 3085 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,2,0,0,0,0|0,0,2]=4 3086 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,2,0,0,0,0|1,0,1]=4 3087 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,2,0,0,0,0|0,0,2]=4 3088 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,2,0,0,0,0|0,0,2]=4 3089 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,2,0,0,0,0|1,0,1]=4 3090 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,2,0,0,0,0|1,0,1]=4 3091 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,2,0,0,0,0|1,0,1]=4 3092 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,2,0,0,0,0|1,0,1]=4 3093 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,2,0,0,0,0|1,0,1]=4 3094 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,2,0,0,0,0|1,0,1]=4 3095 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,2,0,0,0,0|1,0,1]=4 3096 B11R0.4 CCOC(=O)NN=CCSCC 62a_100000210202_100015372823 [0,2,0,0,0,0|1,0,1]=4 3097 B11R0.4 CCOC(=O)NN=CCSCF 62a_100015361967_100015372823 [0,2,0,0,0,0|2,0,0]=4 3098 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,2,0,0,0,0|1,0,1]=4 3099 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,2,0,0,0,0|1,0,1]=4 3100 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,2,0,0,0,0|1,0,1]=4 3101 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,2,0,0,0,0|1,0,1]=4 3102 B11R0.4 CCOC(=O)[CH-]C=NNCCO 4a_100000210001_100010622808 [0,2,0,0,0,0|1,0,1]=4 3103 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,2,0,0,0,0|0,0,2]=4 3104 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,2,0,0,0,0|0,0,2]=4 3105 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,2,0,0,0,0|0,0,2]=4 3106 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,2,0,0,0,0|0,0,2]=4 3107 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,2,0,0,0,0|0,0,2]=4 3108 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,2,0,0,0,0|0,0,2]=4 3109 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,2,0,0,0,0|0,0,2]=4 3110 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,2,0,0,0,0|0,0,2]=4 3111 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,2,0,0,0,0|0,0,2]=4 3112 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,2,0,0,0,0|0,0,2]=4 3113 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,2,0,0,0,0|0,0,2]=4 3114 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,2,0,0,0,0|1,0,1]=4 3115 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,2,0,0,0,0|0,0,2]=4 3116 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,2,0,0,0,0|0,0,2]=4 3117 B11R0.5 C#CCNC(=O)CC(=O)OCC 240690a_100000212058_100000243816 [0,2,0,0,0,0|1,0,1]=4 3118 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,2,0,0,0,0|0,0,1]=3 3119 B11R0.5 C=C(CC(=O)C=CC)OCOC 1458a_100000210699_100000042856 [0,2,0,0,0,0|1,0,1]=4 3120 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [0,2,0,0,0,0|1,0,1]=4 3121 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,2,0,0,0,0|1,0,1]=4 3122 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,2,0,0,0,0|1,0,1]=4 3123 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,2,0,0,0,0|1,0,1]=4 3124 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,2,0,0,0,0|1,0,1]=4 3125 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,2,0,0,0,0|1,0,1]=4 3126 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,2,0,0,0,0|1,0,1]=4 3127 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,2,0,0,0,0|1,0,1]=4 3128 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,2,0,0,0,0|1,0,1]=4 3129 B11R0.5 C=C(CCC)CC(=O)NCCF 11a_100000724931_100000138376 [0,2,0,0,0,0|1,0,1]=4 3130 B11R0.5 C=C(CCC)CC(=O)NCCF 240690a_100000724931_100000138376 [0,2,0,0,0,0|1,0,1]=4 3131 B11R0.5 C=C(CCC)CC(=O)NCCF 527a_100000724931_100000138376 [0,2,0,0,0,0|1,0,1]=4 3132 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,2,0,0,0,0|1,0,1]=4 3133 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,2,0,0,0,0|1,0,1]=4 3134 B11R0.5 C=C(CCC)CC(=O)NNCC 22a_100000756455_100000138376 [0,2,0,0,0,0|1,0,1]=4 3135 B11R0.5 C=CC=CC(=O)CC(=O)OCC 1458a_100016291481_100000188475 [0,2,0,0,0,0|0,0,2]=4 3136 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,2,0,0,0,0|0,0,2]=4 3137 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,2,0,0,0,0|0,0,2]=4 3138 B11R0.5 C=CCNC(=O)CC(=O)OCC 240690a_100020586998_100000243816 [0,2,0,0,0,0|1,0,1]=4 3139 B11R0.5 C=CCOC(=O)CC(=O)C=CC 1458a_100000210699_100000033060 [0,2,0,0,0,0|0,0,2]=4 3140 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,2,0,0,0,0|0,0,2]=4 3141 B11R0.5 C=COC(=O)CC(=O)C=CCC 1458a_100000212282_100000036128 [0,2,0,0,0,0|0,0,2]=4 3142 B11R0.5 CC#CC(=O)CC(=O)OCCC 1458a_100000763181_200011215008 [0,2,0,0,0,0|0,0,2]=4 3143 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,2,0,0,0,0|0,0,2]=4 3144 B11R0.5 CC=CC(=O)CC(=O)NCCC 1458a_100000210699_100000183358 [0,2,0,0,0,0|1,0,1]=4 3145 B11R0.5 CC=CC(=O)CC(=O)OCCC 1458a_100000210699_200011215008 [0,2,0,0,0,0|0,0,1]=3 3146 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [0,2,0,0,0,0|1,0,1]=4 3147 B11R0.5 CC=CCC(=O)CC(=O)NCC 1458a_100121576822_100000183381 [0,2,0,0,0,0|1,0,1]=4 3148 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,2,0,0,0,0|0,0,1]=3 3149 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,2,0,0,0,0|0,0,1]=3 3150 B11R0.5 CC=CCN(C)CC(=O)OCC 2230a_100000220588_100000070051 [0,2,0,0,0,0|0,0,2]=4 3151 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [0,2,0,0,0,0|1,0,1]=4 3152 B11R0.5 CCC#CC(=O)CC(=O)NCC 1458a_100011827653_100000183381 [0,2,0,0,0,0|1,0,1]=4 3153 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,2,0,0,0,0|0,0,1]=3 3154 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,2,0,0,0,0|1,0,0]=3 3155 B11R0.5 CCC=CC(=O)CC(=O)NCC 1458a_100000212282_100000183381 [0,2,0,0,0,0|1,0,0]=3 3156 B11R0.5 CCC=CC(=O)CC(=O)NCO 1458a_100000212282_100000185155 [0,2,0,0,0,0|2,0,0]=4 3157 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,2,0,0,0,0|0,0,0]=2 3158 B11R0.5 CCCC(=O)CC(=O)C=COC 1458a_100016268678_100000747444 [0,2,0,0,0,0|1,0,1]=4 3159 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,2,0,0,0,0|1,0,1]=4 3160 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,2,0,0,0,0|1,0,1]=4 3161 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,2,0,0,0,0|0,0,1]=3 3162 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,2,0,0,0,0|0,1,1]=4 3163 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,2,0,0,0,0|0,0,2]=4 3164 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,2,0,0,0,0|1,0,1]=4 3165 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,2,0,0,0,0|1,0,1]=4 3166 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,2,0,0,0,0|0,0,1]=3 3167 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,2,0,0,0,0|0,0,1]=3 3168 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,2,0,0,0,0|0,0,2]=4 3169 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,2,0,0,0,0|0,0,2]=4 3170 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,2,0,0,0,0|0,0,2]=4 3171 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,2,0,0,0,0|1,0,1]=4 3172 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,2,0,0,0,0|0,0,1]=3 3173 B11R0.5 CCCOC(=O)CC(=O)C=CBr 1458a_100016273825_200011215008 [0,2,0,0,0,0|1,0,1]=4 3174 B11R0.5 CCCOC(=O)CC(=O)C=CCl 1458a_200016279998_200011215008 [0,2,0,0,0,0|1,0,1]=4 3175 B11R0.5 CCCOC(=O)CC(=O)C=CI 1458a_100016256311_200011215008 [0,2,0,0,0,0|1,0,1]=4 3176 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,2,0,0,0,0|0,0,1]=3 3177 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,2,0,0,0,0|1,0,1]=4 3178 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,2,0,0,0,0|1,0,1]=4 3179 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,2,0,0,0,0|1,0,1]=4 3180 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,2,0,0,0,0|1,0,1]=4 3181 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,2,0,0,0,0|1,0,1]=4 3182 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,2,0,0,0,0|0,0,2]=4 3183 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,2,0,0,0,0|0,0,2]=4 3184 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,2,0,0,0,0|0,0,2]=4 3185 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,2,0,0,0,0|1,0,1]=4 3186 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,2,0,0,0,0|1,0,1]=4 3187 B11R0.5 CCNC(=O)CC(=O)C=COC 1458a_100016268678_100000183381 [0,2,0,0,0,0|1,0,1]=4 3188 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,2,0,0,0,0|1,0,1]=4 3189 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,2,0,0,0,0|1,0,1]=4 3190 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,2,0,0,0,0|1,0,0]=3 3191 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,2,0,0,0,0|1,0,1]=4 3192 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,2,0,0,0,0|0,0,2]=4 3193 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,2,0,0,0,0|1,0,0]=3 3194 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,2,0,0,0,0|0,0,2]=4 3195 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,2,0,0,0,0|0,0,2]=4 3196 B11R0.5 CCOC(=O)CC(=O)C#CCO 1458a_100000049017_100000188475 [0,2,0,0,0,0|0,0,2]=4 3197 B11R0.5 CCOC(=O)CC(=O)C=COC 1458a_100016268678_100000188475 [0,2,0,0,0,0|0,0,1]=3 3198 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,2,0,0,0,0|0,0,2]=4 3199 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,2,0,0,0,0|0,0,2]=4 3200 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,2,0,0,0,0|0,0,1]=3 3201 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,2,0,0,0,0|0,0,1]=3 3202 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,2,0,0,0,0|0,0,1]=3 3203 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,2,0,0,0,0|0,0,1]=3 3204 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,2,0,0,0,0|0,0,1]=3 3205 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,2,0,0,0,0|0,0,1]=3 3206 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,2,0,0,0,0|0,0,1]=3 3207 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,2,0,0,0,0|0,0,1]=3 3208 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,2,0,0,0,0|0,0,1]=3 3209 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,2,0,0,0,0|1,0,1]=4 3210 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,2,0,0,0,0|1,0,1]=4 3211 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,2,0,0,0,0|1,0,0]=3 3212 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,2,0,0,0,0|1,0,0]=3 3213 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,2,0,0,0,0|1,0,1]=4 3214 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,2,0,0,0,0|1,0,1]=4 3215 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,2,0,0,0,0|1,0,1]=4 3216 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,2,0,0,0,0|1,0,1]=4 3217 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,2,0,0,0,0|1,0,1]=4 3218 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,2,0,0,0,0|1,0,1]=4 3219 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,2,0,0,0,0|1,0,1]=4 3220 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,2,0,0,0,0|1,0,1]=4 3221 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,2,0,0,0,0|1,0,1]=4 3222 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,2,0,0,0,0|1,0,1]=4 3223 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,2,0,0,0,0|1,0,1]=4 3224 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,2,0,0,0,0|1,0,1]=4 3225 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,2,0,0,0,0|1,0,1]=4 3226 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,2,0,0,0,0|1,0,1]=4 3227 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,2,0,0,0,0|1,0,1]=4 3228 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,2,0,0,0,0|1,0,1]=4 3229 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,2,0,0,0,0|1,0,1]=4 3230 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,2,0,0,0,0|1,0,1]=4 3231 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,2,0,0,0,0|1,0,1]=4 3232 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,2,0,0,0,0|1,0,1]=4 3233 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,2,0,0,0,0|1,0,1]=4 3234 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,2,0,0,0,0|0,0,2]=4 3235 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,2,0,0,0,0|0,0,2]=4 3236 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [0,2,0,0,0,0|1,0,1]=4 3237 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,2,0,0,0,0|0,0,2]=4 3238 B11R0.5 CCOCC(=O)CC(=O)NCO 1458a_100000211967_100000185155 [0,2,0,0,0,0|2,0,0]=4 3239 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,2,0,0,0,0|0,0,1]=3 3240 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,2,0,0,0,0|0,0,2]=4 3241 B11R0.62 C#CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000184674 [0,2,0,0,0,0|0,0,2]=4 3242 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,2,0,0,0,0|0,0,2]=4 3243 B11R0.62 C#CCC(=O)NCC(=O)OCC 188690a_100000741813_100011220946 [0,2,0,0,0,0|1,0,1]=4 3244 B11R0.62 C/C=C/C(C)OCC(=O)OCC 34a_200102604097_100000188475 [0,2,0,0,0,0|0,0,2]=4 3245 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [0,2,0,0,0,0|0,0,2]=4 3246 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,2,0,0,0,0|0,0,2]=4 3247 B11R0.62 C=CCC(=O)NCC(=O)OCC 188690a_100000741813_100000210193 [0,2,0,0,0,0|1,0,1]=4 3248 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,2,0,0,0,0|1,0,1]=4 3249 B11R0.62 CC=CC(=O)NCC(=O)NCC 11a_100016988866_100000210699 [0,2,0,0,0,0|1,0,1]=4 3250 B11R0.62 CC=CC(=O)NCC(=O)NCC 1626a_100016988866_100000210699 [0,2,0,0,0,0|1,0,1]=4 3251 B11R0.62 CC=CC(=O)NCC(=O)NCC 240690a_100016988866_100000210699 [0,2,0,0,0,0|1,0,1]=4 3252 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [0,2,0,0,0,0|0,0,1]=3 3253 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,2,0,0,0,0|0,0,1]=3 3254 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,2,0,0,0,0|1,0,1]=4 3255 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,2,0,0,0,0|0,0,1]=3 3256 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,2,0,0,0,0|0,0,1]=3 3257 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,2,0,0,0,0|1,0,1]=4 3258 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 3259 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 3260 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 3261 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 3262 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,2,0,0,0,0|0,0,1]=3 3263 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,2,0,0,0,0|0,0,2]=4 3264 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,2,0,0,0,0|0,0,2]=4 3265 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,2,0,0,0,0|0,0,2]=4 3266 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,2,0,0,0,0|0,0,2]=4 3267 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,2,0,0,0,0|0,0,2]=4 3268 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,2,0,0,0,0|0,0,2]=4 3269 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,2,0,0,0,0|0,0,2]=4 3270 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,2,0,0,0,0|0,0,2]=4 3271 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,2,0,0,0,0|0,0,2]=4 3272 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [0,2,0,0,0,0|0,0,1]=3 3273 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,2,0,0,0,0|1,0,1]=4 3274 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,2,0,0,0,0|1,0,1]=4 3275 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,2,0,0,0,0|1,0,1]=4 3276 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,2,0,0,0,0|1,0,1]=4 3277 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,2,0,0,0,0|0,0,1]=3 3278 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,2,0,0,0,0|0,0,1]=3 3279 B11R0.62 CCNC(=O)CNC(=O)CCO 240690a_100016988866_100011216618 [0,2,0,0,0,0|2,0,0]=4 3280 B11R0.62 CCNC(=O)CNC(=O)COC 11a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 3281 B11R0.62 CCNC(=O)CNC(=O)COC 1626a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 3282 B11R0.62 CCNC(=O)CNC(=O)COC 240690a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 3283 B11R0.62 CCNC(=O)CNC(=O)COC 527a_100016988866_100000210968 [0,2,0,0,0,0|2,0,0]=4 3284 B11R0.62 CCNC(=O)CNC(=O)CSC 11a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 3285 B11R0.62 CCNC(=O)CNC(=O)CSC 1626a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 3286 B11R0.62 CCNC(=O)CNC(=O)CSC 240690a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 3287 B11R0.62 CCNC(=O)CNC(=O)CSC 527a_100016988866_100000184570 [0,2,0,0,0,0|2,0,0]=4 3288 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100015525214_100016988866 [0,2,0,0,0,0|2,0,0]=4 3289 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100016988866_100015525214 [0,2,0,0,0,0|2,0,0]=4 3290 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100015525214_100016988866 [0,2,0,0,0,0|2,0,0]=4 3291 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100016988866_100015525214 [0,2,0,0,0,0|2,0,0]=4 3292 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100015525214_100016988866 [0,2,0,0,0,0|2,0,0]=4 3293 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100016988866_100015525214 [0,2,0,0,0,0|2,0,0]=4 3294 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,2,0,0,0,0|1,0,0]=3 3295 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,2,0,0,0,0|1,0,0]=3 3296 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,2,0,0,0,0|1,0,0]=3 3297 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,2,0,0,0,0|0,0,2]=4 3298 B11R0.62 CCOC(=O)C=CC(=O)CC#N 1458a_100000210415_100011214920 [0,2,0,0,0,0|0,0,2]=4 3299 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [0,2,0,0,0,0|0,0,1]=3 3300 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [0,2,0,0,0,0|0,0,1]=3 3301 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,2,0,0,0,0|0,0,2]=4 3302 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,2,0,0,0,0|0,0,1]=3 3303 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|0,0,1]=3 3304 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,2,0,0,0,0|0,0,2]=4 3305 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,2,0,0,0,0|0,0,2]=4 3306 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,2,0,0,0,0|0,0,2]=4 3307 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,2,0,0,0,0|1,0,1]=4 3308 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,2,0,0,0,0|1,0,1]=4 3309 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,2,0,0,0,0|1,0,1]=4 3310 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,2,0,0,0,0|1,0,1]=4 3311 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,2,0,0,0,0|1,0,1]=4 3312 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,2,0,0,0,0|1,0,1]=4 3313 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,2,0,0,0,0|1,0,1]=4 3314 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,2,0,0,0,0|1,0,1]=4 3315 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,2,0,0,0,0|1,0,1]=4 3316 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,2,0,0,0,0|1,0,1]=4 3317 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,2,0,0,0,0|1,0,0]=3 3318 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,2,0,0,0,0|1,0,0]=3 3319 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,2,0,0,0,0|1,0,0]=3 3320 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,2,0,0,0,0|1,0,0]=3 3321 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,2,0,0,0,0|1,0,0]=3 3322 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,2,0,0,0,0|1,0,0]=3 3323 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,2,0,0,0,0|1,0,0]=3 3324 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,2,0,0,0,0|1,0,0]=3 3325 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,2,0,0,0,0|1,0,0]=3 3326 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,2,0,0,0,0|1,0,0]=3 3327 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,2,0,0,0,0|1,0,1]=4 3328 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,2,0,0,0,0|1,0,1]=4 3329 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,2,0,0,0,0|1,0,1]=4 3330 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,2,0,0,0,0|1,0,1]=4 3331 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,2,0,0,0,0|1,0,1]=4 3332 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,2,0,0,0,0|1,0,1]=4 3333 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,2,0,0,0,0|1,0,1]=4 3334 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,2,0,0,0,0|1,0,1]=4 3335 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,2,0,0,0,0|1,0,1]=4 3336 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,2,0,0,0,0|1,0,1]=4 3337 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,2,0,0,0,0|1,0,1]=4 3338 B11R0.62 CCOC(=O)NCC(=O)NNC 22a_100016993582_100000190774 [0,2,0,0,0,0|2,0,0]=4 3339 B11R0.81 C#CCCC(=O)C/C=C/CCC 1458a_200016266809_100000753159 [0,2,0,0,0,0|1,0,1]=4 3340 B11R0.81 C#CCCC(=O)CC/C=C\CC 1458a_100000692101_100015370543 [0,2,0,0,0,0|1,0,1]=4 3341 B11R0.81 C#CCNC(=O)C/C=C/CCC 11a_100000212058_200016266809 [0,2,0,0,0,0|1,0,1]=4 3342 B11R0.81 C#CCNC(=O)C/C=C/CCC 1626a_100000212058_200016266809 [0,2,0,0,0,0|1,0,1]=4 3343 B11R0.81 C#CCNC(=O)C/C=C/CCC 240690a_100000212058_200016266809 [0,2,0,0,0,0|1,0,1]=4 3344 B11R0.81 C#CCNC(=O)C/C=C/CCC 527a_100000212058_200016266809 [0,2,0,0,0,0|1,0,1]=4 3345 B11R0.81 C/C=C/CC(=O)C/C=C/CCC 1458a_200016266809_100102629194 [0,2,0,0,0,0|1,0,1]=4 3346 B11R0.81 C/C=C/COCC(=O)OCCC 34a_100016270725_200011215008 [0,2,0,0,0,0|0,0,2]=4 3347 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_100102629194_200011215008 [0,2,0,0,0,0|0,0,2]=4 3348 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_200011215008_100102629194 [0,2,0,0,0,0|0,0,2]=4 3349 B11R0.81 C=CCCC(=O)C/C=C/CCC 1458a_200016266809_100000754431 [0,2,0,0,0,0|1,0,1]=4 3350 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [0,2,0,0,0,0|1,0,1]=4 3351 B11R0.81 C=CCNC(=O)C/C=C/CCC 1626a_100020586998_200016266809 [0,2,0,0,0,0|1,0,1]=4 3352 B11R0.81 C=CCNC(=O)C/C=C/CCC 240690a_100020586998_200016266809 [0,2,0,0,0,0|1,0,1]=4 3353 B11R0.81 C=CCNC(=O)C/C=C/CCC 527a_100020586998_200016266809 [0,2,0,0,0,0|1,0,1]=4 3354 B11R0.81 CC#CCC(=O)C/C=C/CCC 1458a_200016266809_100000748600 [0,2,0,0,0,0|1,0,1]=4 3355 B11R0.81 CC/C=C\CCC(=O)C#CCO 1458a_100000049017_100015370543 [0,2,0,0,0,0|1,0,1]=4 3356 B11R0.81 CC/C=C\CCC(=O)C=COC 1458a_100016268678_100015370543 [0,2,0,0,0,0|1,0,1]=4 3357 B11R0.81 CC/C=C\CCC(=O)CCC#N 1458a_100011934036_100015370543 [0,2,0,0,0,0|1,0,1]=4 3358 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,2,0,0,0,0|1,0,0]=3 3359 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,2,0,0,0,0|1,0,0]=3 3360 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,2,0,0,0,0|1,0,0]=3 3361 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,2,0,0,0,0|0,0,0]=2 3362 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,2,0,0,0,0|0,1,0]=3 3363 B11R0.81 CC/C=C\COC(C)COCC 34a_100000718985_100103147603 [0,2,0,0,0,0|1,0,1]=4 3364 B11R0.81 CC/C=C\COC(C)COCC 7a_100000718985_100103147603 [0,2,0,0,0,0|1,0,1]=4 3365 B11R0.81 CC=CCC(=O)C/C=C/CCC 1458a_200016266809_100000070051 [0,2,0,0,0,0|1,0,1]=4 3366 B11R0.81 CC=CCC(=O)CC/C=C\CC 1458a_100121576822_100015370543 [0,2,0,0,0,0|1,0,1]=4 3367 B11R0.81 CC=CCSCC(=O)OCCC 62a_100000070051_200011215008 [0,2,0,0,0,0|0,0,2]=4 3368 B11R0.81 CC=CCSCC(=O)OCCC 62a_200011215008_100000070051 [0,2,0,0,0,0|0,0,2]=4 3369 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [0,2,0,0,0,0|1,0,0]=3 3370 B11R0.81 CCC/C=C/CC(=O)CCC#N 1458a_200016266809_100011215226 [0,2,0,0,0,0|1,0,1]=4 3371 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,2,0,0,0,0|1,0,0]=3 3372 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,2,0,0,0,0|1,0,0]=3 3373 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,2,0,0,0,0|1,0,0]=3 3374 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [0,2,0,0,0,0|1,0,0]=3 3375 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [0,2,0,0,0,0|1,0,0]=3 3376 B11R0.81 CCC/C=C/CC(=O)NCC#N 1626a_100000734998_200016266809 [0,2,0,0,0,0|1,0,1]=4 3377 B11R0.81 CCC/C=C/CC(=O)NCC#N 527a_100000734998_200016266809 [0,2,0,0,0,0|1,0,1]=4 3378 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [0,2,0,0,0,0|1,0,0]=3 3379 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [0,2,0,0,0,0|1,0,0]=3 3380 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [0,2,0,0,0,0|1,0,0]=3 3381 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [0,2,0,0,0,0|1,0,0]=3 3382 B11R0.81 CCC/C=C/CC(=O)NCCF 11a_100000724931_200016266809 [0,2,0,0,0,0|1,0,0]=3 3383 B11R0.81 CCC/C=C/CC(=O)NCCF 1626a_100000724931_200016266809 [0,2,0,0,0,0|1,0,0]=3 3384 B11R0.81 CCC/C=C/CC(=O)NCCF 240690a_100000724931_200016266809 [0,2,0,0,0,0|1,0,0]=3 3385 B11R0.81 CCC/C=C/CC(=O)NCCF 527a_100000724931_200016266809 [0,2,0,0,0,0|1,0,0]=3 3386 B11R0.81 CCC/C=C/CC(=O)NCCO 240690a_100000210304_200016266809 [0,2,0,0,0,0|1,0,0]=3 3387 B11R0.81 CCC/C=C/CC(=O)NCCO 527a_100000210304_200016266809 [0,2,0,0,0,0|1,0,0]=3 3388 B11R0.81 CCC/C=C/CC(=O)NNCC 22a_100000756455_200016266809 [0,2,0,0,0,0|1,0,0]=3 3389 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [0,2,0,0,0,0|1,0,0]=3 3390 B11R0.81 CCCC=NNC(=O)COCC 4a_100000216846_100000185831 [0,2,0,0,0,0|1,0,1]=4 3391 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|0,0,2]=4 3392 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 3393 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 3394 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 3395 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,2,0,0,0,0|0,0,2]=4 3396 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,2,0,0,0,0|0,0,2]=4 3397 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,2,0,0,0,0|0,0,2]=4 3398 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,2,0,0,0,0|0,0,2]=4 3399 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,2,0,0,0,0|0,0,2]=4 3400 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,2,0,0,0,0|0,0,2]=4 3401 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,2,0,0,0,0|0,0,2]=4 3402 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,2,0,0,0,0|0,0,2]=4 3403 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,2,0,0,0,0|0,0,2]=4 3404 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,2,0,0,0,0|1,0,1]=4 3405 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,2,0,0,0,0|1,0,1]=4 3406 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,2,0,0,0,0|1,0,1]=4 3407 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,2,0,0,0,0|1,0,1]=4 3408 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,2,0,0,0,0|1,0,1]=4 3409 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,2,0,0,0,0|1,0,1]=4 3410 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,2,0,0,0,0|1,0,1]=4 3411 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,2,0,0,0,0|1,0,1]=4 3412 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,2,0,0,0,0|1,0,1]=4 3413 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,2,0,0,0,0|1,0,1]=4 3414 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,2,0,0,0,0|1,0,1]=4 3415 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,2,0,0,0,0|1,0,1]=4 3416 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,2,0,0,0,0|1,0,1]=4 3417 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,2,0,0,0,0|1,0,1]=4 3418 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,2,0,0,0,0|1,0,1]=4 3419 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,2,0,0,0,0|1,0,1]=4 3420 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,2,0,0,0,0|1,0,1]=4 3421 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,2,0,0,0,0|1,0,1]=4 3422 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,2,0,0,0,0|1,0,1]=4 3423 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,2,0,0,0,0|1,0,1]=4 3424 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,2,0,0,0,0|1,0,1]=4 3425 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,2,0,0,0,0|1,0,1]=4 3426 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,2,0,0,0,0|0,0,2]=4 3427 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,2,0,0,0,0|1,0,1]=4 3428 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,2,0,0,0,0|0,0,2]=4 3429 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,2,0,0,0,0|0,0,2]=4 3430 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,2,0,0,0,0|0,0,2]=4 3431 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,2,0,0,0,0|1,0,1]=4 3432 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [0,2,0,0,0,0|1,0,1]=4 3433 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [0,2,0,0,0,0|1,0,1]=4 3434 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [0,2,0,0,0,0|1,0,1]=4 3435 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [0,2,0,0,0,0|1,0,1]=4 3436 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,2,0,0,0,0|0,0,2]=4 3437 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [0,2,0,0,0,0|1,0,1]=4 3438 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [0,2,0,0,0,0|1,0,1]=4 3439 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [0,2,0,0,0,0|1,0,1]=4 3440 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [0,2,0,0,0,0|1,0,1]=4 3441 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,2,0,0,0,0|1,0,1]=4 3442 B11R0.142 C/C=C(\C)/C(=O)CC/C=C\CC 1458a_100020587367_100015370543 [0,2,0,0,0,0|1,0,1]=4 3443 B11R0.142 CC/C=C\CCC(=O)C(=O)NC 1458a_100011218921_100015370543 [0,2,0,0,0,0|2,0,0]=4 3444 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [0,2,0,0,0,0|1,0,0]=3 3445 B11R0.142 CC/C=C\CCC(=O)C(C)OC 1458a_100000743197_100015370543 [0,2,0,0,0,0|2,0,0]=4 3446 B11R0.142 CC/C=C\CCC(=O)C(C)SC 1458a_100000149566_100015370543 [0,2,0,0,0,0|2,0,0]=4 3447 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,2,0,0,0,0|1,0,0]=3 3448 B11R0.142 CC/C=C\CCC(=O)C(O)CO 1458a_100011215603_100015370543 [0,2,0,0,0,0|2,0,0]=4 3449 B11R0.142 CCC/C=C/CC(=O)C(C)CC 1458a_200016266809_100000758301 [0,2,0,0,0,0|1,0,0]=3 3450 B11R0.142 CCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016266809 [0,2,0,0,0,0|1,0,0]=3 3451 B11R0.142 CCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016266809 [0,2,0,0,0,0|1,0,0]=3 3452 B11R0.142 CCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016266809 [0,2,0,0,0,0|1,0,0]=3 3453 B11R0.142 CCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016266809 [0,2,0,0,0,0|1,0,0]=3 3454 B11R0.155 C#CCN(C)C(=O)C/C=C/CC 11a_100000225692_100016274230 [0,2,0,0,0,0|1,0,1]=4 3455 B11R0.155 C#CCN(C)C(=O)C/C=C/CC 1626a_100000225692_100016274230 [0,2,0,0,0,0|1,0,1]=4 3456 B11R0.155 C#CCN(C)C(=O)C/C=C/CC 527a_100000225692_100016274230 [0,2,0,0,0,0|1,0,1]=4 3457 B11R0.155 C/C=C/COC(C)C(=O)OCC 34a_100016270725_100011216346 [0,2,0,0,0,0|0,0,2]=4 3458 B11R0.155 C/C=C/COC(F)C(=O)OCC 34a_100016270725_100000760018 [0,2,0,0,0,0|0,0,2]=4 3459 B11R0.155 C/C=C/CO[C@@H](C)C(=O)OCC 7a_100000751109_100102629194 [0,2,0,0,0,0|0,0,2]=4 3460 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100011216346_100102629194 [0,2,0,0,0,0|0,0,2]=4 3461 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100102629194_100011216346 [0,2,0,0,0,0|0,0,2]=4 3462 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100000760018_100102629194 [0,2,0,0,0,0|0,0,2]=4 3463 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100102629194_100000760018 [0,2,0,0,0,0|0,0,2]=4 3464 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,2,0,0,0,0|1,0,1]=4 3465 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,2,0,0,0,0|1,0,1]=4 3466 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,2,0,0,0,0|1,0,1]=4 3467 B11R0.155 C=CCC(C)C(=O)C/C=C\CC 1458a_100011216819_100103147603 [0,2,0,0,0,0|1,0,1]=4 3468 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 11a_100000225617_100016274230 [0,2,0,0,0,0|1,0,1]=4 3469 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 1626a_100000225617_100016274230 [0,2,0,0,0,0|1,0,1]=4 3470 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 240690a_100000225617_100016274230 [0,2,0,0,0,0|1,0,1]=4 3471 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 527a_100000225617_100016274230 [0,2,0,0,0,0|1,0,1]=4 3472 B11R0.155 CC/C=C/CC(=O)C(C)CC#N 1458a_100016274230_100009813641 [0,2,0,0,0,0|1,0,1]=4 3473 B11R0.155 CC/C=C/CC(=O)C(C)CCC 1458a_100016274230_100000766640 [0,2,0,0,0,0|1,0,0]=3 3474 B11R0.155 CC/C=C/CC(=O)C(C)CCO 1458a_100016274230_100009893172 [0,2,0,0,0,0|1,0,0]=3 3475 B11R0.155 CC/C=C/CC(=O)C(C)COC 1458a_100016274230_100000765312 [0,2,0,0,0,0|1,0,0]=3 3476 B11R0.155 CC/C=C/CC(=O)N(C)CC#N 11a_100000748184_100016274230 [0,2,0,0,0,0|1,0,1]=4 3477 B11R0.155 CC/C=C/CC(=O)N(C)CC#N 1626a_100000748184_100016274230 [0,2,0,0,0,0|1,0,1]=4 3478 B11R0.155 CC/C=C/CC(=O)N(C)CCC 11a_100000747261_100016274230 [0,2,0,0,0,0|1,0,0]=3 3479 B11R0.155 CC/C=C/CC(=O)N(C)CCC 1626a_100000747261_100016274230 [0,2,0,0,0,0|1,0,0]=3 3480 B11R0.155 CC/C=C/CC(=O)N(C)CCC 240690a_100000747261_100016274230 [0,2,0,0,0,0|1,0,0]=3 3481 B11R0.155 CC/C=C/CC(=O)N(C)CCC 527a_100000747261_100016274230 [0,2,0,0,0,0|1,0,0]=3 3482 B11R0.155 CC/C=C/CC(=O)N(C)CCO 240690a_100000210263_100016274230 [0,2,0,0,0,0|1,0,0]=3 3483 B11R0.155 CC/C=C/CC(=O)N(C)CCO 527a_100000210263_100016274230 [0,2,0,0,0,0|1,0,0]=3 3484 B11R0.155 CC/C=C\CC(=O)/C(=C/CC)/C 1458a_100016988807_100103147603 [0,2,0,0,0,0|1,0,0]=3 3485 B11R0.155 CC/C=C\CC(=O)/C(=N/OC)/C 1458a_100160996864_100103147603 [0,2,0,0,0,0|2,0,0]=4 3486 B11R0.155 CC/C=C\CC(=O)C(=O)NCC 1458a_200011297158_100103147603 [0,2,0,0,0,0|1,0,0]=3 3487 B11R0.155 CC/C=C\CC(=O)C(C)CCC 1458a_100000210906_100103147603 [0,2,0,0,0,0|1,0,0]=3 3488 B11R0.155 CC/C=C\CC(=O)C(C)COC 1458a_100000751857_100103147603 [0,2,0,0,0,0|1,0,0]=3 3489 B11R0.155 CC/C=C\CC(=O)C(C)CSC 1458a_100000753918_100103147603 [0,2,0,0,0,0|1,0,0]=3 3490 B11R0.155 CC/C=C\CC(=O)C(C)OCC 1458a_100000739345_100103147603 [0,2,0,0,0,0|0,0,0]=2 3491 B11R0.155 CC/C=C\CC(=O)C(C)SCC 1458a_100000230601_100103147603 [0,2,0,0,0,0|0,1,0]=3 3492 B11R0.155 CC/C=C\CC(=O)[C@@H](O)CCC 1458a_100009822183_100103147603 [0,2,0,0,0,0|1,0,0]=3 3493 B11R0.155 CC=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000070051 [0,2,0,0,0,0|0,0,2]=4 3494 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100000070051_100011216346 [0,2,0,0,0,0|0,0,2]=4 3495 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100011216346_100000070051 [0,2,0,0,0,0|0,0,2]=4 3496 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000070051_100000760018 [0,2,0,0,0,0|0,0,2]=4 3497 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000760018_100000070051 [0,2,0,0,0,0|0,0,2]=4 3498 B11R0.155 CCC#CCC(=O)C(C)OCC 1458a_100000739345_100009813939 [0,2,0,0,0,0|0,0,2]=4 3499 B11R0.155 CCC=NNC(=O)C(C)OCC 4a_200015185280_100000210100 [0,2,0,0,0,0|2,0,0]=4 3500 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,2,0,0,0,0|0,0,2]=4 3501 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,2,0,0,0,0|0,0,2]=4 3502 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,2,0,0,0,0|0,0,2]=4 3503 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,2,0,0,0,0|0,0,2]=4 3504 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,2,0,0,0,0|0,0,2]=4 3505 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,2,0,0,0,0|0,0,2]=4 3506 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,2,0,0,0,0|0,0,2]=4 3507 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,2,0,0,0,0|0,0,2]=4 3508 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,2,0,0,0,0|0,0,2]=4 3509 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,2,0,0,0,0|0,0,2]=4 3510 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,2,0,0,0,0|0,0,2]=4 3511 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,2,0,0,0,0|0,0,2]=4 3512 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,2,0,0,0,0|0,0,2]=4 3513 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,2,0,0,0,0|0,0,2]=4 3514 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,2,0,0,0,0|1,0,1]=4 3515 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,2,0,0,0,0|1,0,1]=4 3516 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,2,0,0,0,0|1,0,1]=4 3517 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,2,0,0,0,0|1,0,1]=4 3518 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,2,0,0,0,0|1,0,1]=4 3519 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,2,0,0,0,0|1,0,1]=4 3520 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,2,0,0,0,0|1,0,1]=4 3521 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,2,0,0,0,0|1,0,1]=4 3522 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,2,0,0,0,0|1,0,1]=4 3523 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|1,0,1]=4 3524 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,2,0,0,0,0|1,0,1]=4 3525 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,2,0,0,0,0|1,0,1]=4 3526 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,2,0,0,0,0|1,0,1]=4 3527 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,2,0,0,0,0|1,0,1]=4 3528 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,2,0,0,0,0|1,0,1]=4 3529 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|1,0,1]=4 3530 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|1,0,1]=4 3531 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,2,0,0,0,0|1,0,1]=4 3532 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,2,0,0,0,0|1,0,1]=4 3533 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,2,0,0,0,0|1,0,1]=4 3534 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,2,0,0,0,0|1,0,1]=4 3535 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [0,2,0,0,0,0|1,0,1]=4 3536 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [0,2,0,0,0,0|1,0,1]=4 3537 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [0,2,0,0,0,0|1,0,1]=4 3538 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [0,2,0,0,0,0|1,0,1]=4 3539 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,2,0,0,0,0|1,0,1]=4 3540 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,2,0,0,0,0|1,0,1]=4 3541 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,2,0,0,0,0|1,0,1]=4 3542 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,2,0,0,0,0|1,0,1]=4 3543 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,2,0,0,0,0|1,0,1]=4 3544 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,2,0,0,0,0|1,0,1]=4 3545 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,2,0,0,0,0|1,0,1]=4 3546 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [0,2,0,0,0,0|1,0,1]=4 3547 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [0,2,0,0,0,0|1,0,1]=4 3548 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,2,0,0,0,0|1,0,1]=4 3549 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,2,0,0,0,0|1,0,1]=4 3550 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [0,2,0,0,0,0|1,0,1]=4 3551 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [0,2,0,0,0,0|1,0,1]=4 3552 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [0,2,0,0,0,0|1,0,1]=4 3553 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [0,2,0,0,0,0|1,0,1]=4 3554 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,2,0,0,0,0|1,0,1]=4 3555 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|1,0,1]=4 3556 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,2,0,0,0,0|1,0,1]=4 3557 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,2,0,0,0,0|1,0,1]=4 3558 B11R0.155 CCOC(C)C(=O)CCSCC 1458a_100000739345_100000757381 [0,2,0,0,0,0|1,0,1]=4 3559 B11R0.155 CCOCCC(=O)C(C)OCC 1458a_100000739345_100011215890 [0,2,0,0,0,0|1,0,1]=4 3560 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [0,2,0,0,0,0|1,0,1]=4 3561 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [0,2,0,0,0,0|1,0,1]=4 3562 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [0,2,0,0,0,0|1,0,1]=4 3563 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [0,2,0,0,0,0|1,0,1]=4 3564 B11R0.174 C#CC(C)NCCC(=O)OCC 2230a_100000707721_100011206558 [0,2,0,0,0,0|1,0,1]=4 3565 B11R0.174 C#CC(C)NCCC(=O)OCC 34a_100000707721_100000765890 [0,2,0,0,0,0|1,0,1]=4 3566 B11R0.174 C#CC(C)SCCC(=O)OCC 62a_200000035995_100000765890 [0,2,0,0,0,0|1,0,1]=4 3567 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [0,2,0,0,0,0|1,0,1]=4 3568 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [0,2,0,0,0,0|1,0,1]=4 3569 B11R0.174 C=CC(C)COCC(=O)OCC 34a_100011215527_100000188475 [0,2,0,0,0,0|1,0,1]=4 3570 B11R0.174 C=CC(C)COCC(=O)OCC 7a_100011215527_100000188475 [0,2,0,0,0,0|1,0,1]=4 3571 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [0,2,0,0,0,0|1,0,1]=4 3572 B11R0.174 C=CC(C)SCCC(=O)OCC 62a_100011215867_100000765890 [0,2,0,0,0,0|1,0,1]=4 3573 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,2,0,0,0,0|1,0,1]=4 3574 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,2,0,0,0,0|1,0,1]=4 3575 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,2,0,0,0,0|1,0,1]=4 3576 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 3577 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 3578 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 3579 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 3580 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,2,0,0,0,0|1,0,1]=4 3581 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,2,0,0,0,0|1,0,1]=4 3582 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,2,0,0,0,0|1,0,1]=4 3583 B11R0.174 CCOC(=O)/C=C/CN(C)CC 2230a_100000225621_100016267167 [0,2,0,0,0,0|0,0,2]=4 3584 B11R0.174 CCOC(=O)/C=C/CN(C)CC 269982a_100000225621_100016267167 [0,2,0,0,0,0|0,0,2]=4 3585 B11R0.174 CCOC(=O)C=NNC(=O)CC 4a_100000183195_100000742314 [0,2,0,0,0,0|1,0,1]=4 3586 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,2,0,0,0,0|0,0,1]=3 3587 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,2,0,0,0,0|0,0,1]=3 3588 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,2,0,0,0,0|1,0,1]=4 3589 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|1,0,1]=4 3590 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,2,0,0,0,0|1,0,1]=4 3591 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,2,0,0,0,0|1,0,1]=4 3592 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,2,0,0,0,0|1,0,1]=4 3593 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,2,0,0,0,0|1,0,1]=4 3594 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,2,0,0,0,0|0,0,2]=4 3595 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,2,0,0,0,0|0,0,2]=4 3596 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,2,0,0,0,0|0,0,1]=3 3597 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,2,0,0,0,0|1,0,1]=4 3598 B11R0.174 CCOC(=O)CCNC(C)C#N 2230a_100000737613_100011206558 [0,2,0,0,0,0|1,0,1]=4 3599 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,2,0,0,0,0|0,0,2]=4 3600 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,2,0,0,0,0|1,0,1]=4 3601 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [0,2,0,0,0,0|1,0,1]=4 3602 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,2,0,0,0,0|0,0,2]=4 3603 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,2,0,0,0,0|1,0,1]=4 3604 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,2,0,0,0,0|1,0,1]=4 3605 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,2,0,0,0,0|1,0,1]=4 3606 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000703298_100000765890 [0,2,0,0,0,0|1,0,1]=4 3607 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000765890_100000703298 [0,2,0,0,0,0|1,0,1]=4 3608 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,2,0,0,0,0|0,0,2]=4 3609 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,2,0,0,0,0|0,0,2]=4 3610 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,2,0,0,0,0|1,0,1]=4 3611 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,2,0,0,0,0|1,0,1]=4 3612 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,2,0,0,0,0|1,0,1]=4 3613 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,2,0,0,0,0|1,0,1]=4 3614 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,2,0,0,0,0|1,0,1]=4 3615 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,2,0,0,0,0|1,0,1]=4 3616 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,2,0,0,0,0|0,0,2]=4 3617 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,2,0,0,0,0|1,0,1]=4 3618 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,2,0,0,0,0|0,0,2]=4 3619 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,2,0,0,0,0|1,0,1]=4 3620 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,2,0,0,0,0|1,0,1]=4 3621 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,2,0,0,0,0|1,0,1]=4 3622 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,2,0,0,0,0|0,0,1]=3 3623 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,2,0,0,0,0|1,0,1]=4 3624 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,2,0,0,0,0|1,0,1]=4 3625 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,2,0,0,0,0|1,0,1]=4 3626 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,2,0,0,0,0|1,0,1]=4 3627 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,2,0,0,0,0|0,0,2]=4 3628 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,2,0,0,0,0|1,0,1]=4 3629 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,2,0,0,0,0|0,0,1]=3 3630 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,2,0,0,0,0|0,0,1]=3 3631 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,2,0,0,0,0|1,0,1]=4 3632 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,2,0,0,0,0|1,0,1]=4 3633 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,2,0,0,0,0|1,0,1]=4 3634 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,2,0,0,0,0|1,0,1]=4 3635 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,2,0,0,0,0|0,0,2]=4 3636 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,2,0,0,0,0|0,0,2]=4 3637 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,2,0,0,0,0|0,0,2]=4 3638 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,2,0,0,0,0|0,0,2]=4 3639 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,2,0,0,0,0|1,0,1]=4 3640 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,2,0,0,0,0|1,0,1]=4 3641 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,2,0,0,0,0|0,0,2]=4 3642 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,2,0,0,0,0|0,0,2]=4 3643 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,2,0,0,0,0|1,0,1]=4 3644 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,2,0,0,0,0|1,0,1]=4 3645 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,2,0,0,0,0|1,0,1]=4 3646 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,2,0,0,0,0|1,0,1]=4 3647 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,2,0,0,0,0|1,0,1]=4 3648 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,2,0,0,0,0|1,0,1]=4 3649 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,2,0,0,0,0|0,0,1]=3 3650 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,2,0,0,0,0|1,0,1]=4 3651 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,2,0,0,0,0|1,0,1]=4 3652 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,2,0,0,0,0|1,0,1]=4 3653 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,2,0,0,0,0|1,0,1]=4 3654 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,2,0,0,0,0|1,0,1]=4 3655 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,2,0,0,0,0|1,0,1]=4 3656 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,2,0,0,0,0|1,0,1]=4 3657 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,2,0,0,0,0|1,0,1]=4 3658 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,2,0,0,0,0|1,0,1]=4 3659 B11R0.176 CCOC(=O)/C=C/CNC(C)C 2230a_100138425928_100016267167 [0,2,0,0,0,0|0,0,2]=4 3660 B11R0.176 CCOC(=O)/C=C/CNC(C)C 34a_100138425928_100016267167 [0,2,0,0,0,0|0,0,2]=4 3661 B11R0.176 CCOC(=O)/C=C/COC(C)C 34a_100000212225_100016267167 [0,2,0,0,0,0|0,0,2]=4 3662 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100000210206_100016267167 [0,2,0,0,0,0|0,0,2]=4 3663 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100016267167_100000210206 [0,2,0,0,0,0|0,0,2]=4 3664 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|0,0,2]=4 3665 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|0,0,2]=4 3666 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|0,0,2]=4 3667 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,2,0,0,0,0|0,0,2]=4 3668 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,2,0,0,0,0|0,0,2]=4 3669 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,2,0,0,0,0|0,0,2]=4 3670 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,2,0,0,0,0|0,0,2]=4 3671 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,2,0,0,0,0|0,0,2]=4 3672 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,2,0,0,0,0|0,0,2]=4 3673 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,2,0,0,0,0|0,0,2]=4 3674 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,2,0,0,0,0|0,0,2]=4 3675 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,2,0,0,0,0|0,0,2]=4 3676 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,2,0,0,0,0|0,0,2]=4 3677 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,2,0,0,0,0|0,0,2]=4 3678 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,2,0,0,0,0|0,0,2]=4 3679 B11R0.176 CCOC(=O)CCNCC(F)F 34a_100000765723_100000765890 [0,2,0,0,0,0|1,0,1]=4 3680 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|1,0,1]=4 3681 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,2,0,0,0,0|0,0,2]=4 3682 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,2,0,0,0,0|0,0,2]=4 3683 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,2,0,0,0,0|0,0,2]=4 3684 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [0,2,0,0,0,0|1,0,1]=4 3685 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,2,0,0,0,0|0,0,2]=4 3686 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,2,0,0,0,0|0,0,2]=4 3687 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,2,0,0,0,0|0,0,2]=4 3688 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,2,0,0,0,0|0,0,2]=4 3689 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,2,0,0,0,0|0,0,2]=4 3690 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,2,0,0,0,0|0,0,2]=4 3691 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100000765890_100011934356 [0,2,0,0,0,0|1,0,1]=4 3692 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100011934356_100000765890 [0,2,0,0,0,0|1,0,1]=4 3693 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,2,0,0,0,0|0,0,2]=4 3694 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,2,0,0,0,0|0,0,2]=4 3695 B11R0.176 CCOC(=O)CNCC=C(C)C 34a_100000718196_100000188475 [0,2,0,0,0,0|0,0,2]=4 3696 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,2,0,0,0,0|0,0,2]=4 3697 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,2,0,0,0,0|0,0,2]=4 3698 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,2,0,0,0,0|1,0,1]=4 3699 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,2,0,0,0,0|1,0,1]=4 3700 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,2,0,0,0,0|1,0,1]=4 3701 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,2,0,0,0,0|0,0,2]=4 3702 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,2,0,0,0,0|0,0,2]=4 3703 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,2,0,0,0,0|0,0,2]=4 3704 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,2,0,0,0,0|1,0,1]=4 3705 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,2,0,0,0,0|1,0,1]=4 3706 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,2,0,0,0,0|1,0,1]=4 3707 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,2,0,0,0,0|0,0,2]=4 3708 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000188475_100000761012 [0,2,0,0,0,0|0,0,2]=4 3709 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000761012_100000188475 [0,2,0,0,0,0|0,0,2]=4 3710 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,2,0,0,0,0|1,0,1]=4 3711 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,2,0,0,0,0|1,0,1]=4 3712 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,2,0,0,0,0|0,0,2]=4 3713 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,2,0,0,0,0|0,0,2]=4 3714 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,2,0,0,0,0|0,0,2]=4 3715 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,2,0,0,0,0|0,0,2]=4 3716 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,2,0,0,0,0|1,0,1]=4 3717 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,2,0,0,0,0|1,0,1]=4 3718 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,2,0,0,0,0|1,0,1]=4 3719 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,2,0,0,0,0|1,0,1]=4 3720 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,2,0,0,0,0|1,0,1]=4 3721 B11R0.176 CCOC(=O)NN=CCN(C)C 269982a_100102631434_100015372823 [0,2,0,0,0,0|2,0,0]=4 3722 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,2,0,0,0,0|1,0,1]=4 3723 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,2,0,0,0,0|1,0,1]=4 3724 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,2,0,0,0,0|1,0,1]=4 3725 B11R0.176 CCOC(=O)[CH-]C=NNC(C)C 4a_100000741168_100010622808 [0,2,0,0,0,0|1,0,1]=4 3726 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,2,0,0,0,0|0,0,2]=4 3727 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,2,0,0,0,0|1,0,1]=4 3728 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,2,0,0,0,0|1,0,1]=4 3729 B11R0.1 C=C(CCC)CC(=O)NC(C)C 11a_100138425928_100000138376 [0,2,0,0,0,0|1,0,1]=4 3730 B11R0.1 C=C(CCC)CC(=O)NC(C)C 240690a_100138425928_100000138376 [0,2,0,0,0,0|1,0,1]=4 3731 B11R0.1 C=C(CCC)CC(=O)NC(C)C 527a_100138425928_100000138376 [0,2,0,0,0,0|1,0,1]=4 3732 B11R0.1 CC#CC(=O)CC(=O)OC(C)C 1458a_100000763181_100011215430 [0,2,0,0,0,0|0,0,2]=4 3733 B11R0.1 CC(C)OC(=O)CC(=O)C=CBr 1458a_100016273825_100011215430 [0,2,0,0,0,0|1,0,1]=4 3734 B11R0.1 CC(C)OC(=O)CC(=O)C=CCl 1458a_200016279998_100011215430 [0,2,0,0,0,0|1,0,1]=4 3735 B11R0.1 CC(C)OC(=O)CC(=O)C=CI 1458a_100016256311_100011215430 [0,2,0,0,0,0|1,0,1]=4 3736 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,2,0,0,0,0|1,0,1]=4 3737 B11R0.1 CC=CC(=O)CC(=O)NC(C)C 1458a_100000210699_100000183996 [0,2,0,0,0,0|1,0,1]=4 3738 B11R0.1 CC=CC(=O)CC(=O)OC(C)C 1458a_100000210699_100011215430 [0,2,0,0,0,0|0,0,1]=3 3739 B11R0.1 CCCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747444 [0,2,0,0,0,0|1,0,1]=4 3740 B11R0.1 CCCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747444 [0,2,0,0,0,0|1,0,1]=4 3741 B11R0.1 CCCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747444 [0,2,0,0,0,0|1,0,1]=4 3742 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,2,0,0,0,0|1,0,1]=4 3743 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,2,0,0,0,0|1,0,1]=4 3744 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,2,0,0,0,0|1,0,1]=4 3745 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,2,0,0,0,0|0,0,1]=3 3746 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,2,0,0,0,0|1,0,1]=4 3747 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,2,0,0,0,0|1,0,1]=4 3748 B11R0.1 CCNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183381 [0,2,0,0,0,0|1,0,1]=4 3749 B11R0.1 CCNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000183381 [0,2,0,0,0,0|1,0,1]=4 3750 B11R0.1 CCNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000183381 [0,2,0,0,0,0|1,0,1]=4 3751 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,2,0,0,0,0|1,0,1]=4 3752 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,2,0,0,0,0|1,0,1]=4 3753 B11R0.1 CCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000188475 [0,2,0,0,0,0|0,0,1]=3 3754 B11R0.1 CCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000188475 [0,2,0,0,0,0|0,0,1]=3 3755 B11R0.1 CCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000188475 [0,2,0,0,0,0|0,0,1]=3 3756 B11R0.1 CCOC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000188475 [0,2,0,0,0,0|1,0,1]=4 3757 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,2,0,0,0,0|0,0,1]=3 3758 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,2,0,0,0,0|0,0,1]=3 3759 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,2,0,0,0,0|0,0,1]=3 3760 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,2,0,0,0,0|1,0,1]=4 3761 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,2,0,0,0,0|1,0,1]=4 3762 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,2,0,0,0,0|1,0,1]=4 3763 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,2,0,0,0,0|0,0,1]=3 3764 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,2,0,0,0,0|1,0,1]=4 3765 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,2,0,0,0,0|1,0,0]=3 3766 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,2,0,0,0,0|1,0,1]=4 3767 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,2,0,0,0,0|1,0,1]=4 3768 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,2,0,0,0,0|1,0,1]=4 3769 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,2,0,0,0,0|1,0,1]=4 3770 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,2,0,0,0,0|1,0,1]=4 3771 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,2,0,0,0,0|1,0,1]=4 3772 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,2,0,0,0,0|1,0,1]=4 3773 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,2,0,0,0,0|1,0,1]=4 3774 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,2,0,0,0,0|1,0,1]=4 3775 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,2,0,0,0,0|1,0,1]=4 3776 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,2,0,0,0,0|1,0,1]=4 3777 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,2,0,0,0,0|1,0,1]=4 3778 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,2,0,0,0,0|1,0,1]=4 3779 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,2,0,0,0,0|1,0,1]=4 3780 B11R0.177 CC#CC(=O)C(C)C(=O)OCC 1458a_100000763181_100011216346 [0,2,0,0,0,0|0,0,2]=4 3781 B11R0.177 CC#CC(=O)C(F)C(=O)OCC 1458a_100000763181_100000760018 [0,2,0,0,0,0|0,0,2]=4 3782 B11R0.177 CC=CC(=O)C(C)C(=O)NCC 1458a_100000210699_100000230173 [0,2,0,0,0,0|1,0,1]=4 3783 B11R0.177 CC=CC(=O)C(C)C(=O)OCC 1458a_100000210699_100011216346 [0,2,0,0,0,0|0,0,1]=3 3784 B11R0.177 CC=CC(=O)C(F)C(=O)OCC 1458a_100000210699_100000760018 [0,2,0,0,0,0|0,0,1]=3 3785 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,2,0,0,0,0|1,0,1]=4 3786 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,2,0,0,0,0|0,0,1]=3 3787 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,2,0,0,0,0|0,0,1]=3 3788 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,2,0,0,0,0|0,0,1]=3 3789 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [0,2,0,0,0,0|1,0,1]=4 3790 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [0,2,0,0,0,0|1,0,1]=4 3791 B11R0.177 CCCN(C)C(F)C(=O)OCC 2230a_100000747261_100000760018 [0,2,0,0,0,0|1,0,1]=4 3792 B11R0.177 CCCN(C)C(F)C(=O)OCC 269982a_100000747261_100000760018 [0,2,0,0,0,0|1,0,1]=4 3793 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,2,0,0,0,0|1,0,0]=3 3794 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,2,0,0,0,0|1,0,0]=3 3795 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,2,0,0,0,0|1,0,0]=3 3796 B11R0.177 CCOC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100011216346 [0,2,0,0,0,0|1,0,1]=4 3797 B11R0.177 CCOC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100011216346 [0,2,0,0,0,0|1,0,1]=4 3798 B11R0.177 CCOC(=O)C(C)C(=O)C=CI 1458a_100016256311_100011216346 [0,2,0,0,0,0|1,0,1]=4 3799 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,2,0,0,0,0|1,0,1]=4 3800 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,2,0,0,0,0|1,0,1]=4 3801 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,2,0,0,0,0|1,0,1]=4 3802 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,2,0,0,0,0|1,0,1]=4 3803 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,2,0,0,0,0|1,0,1]=4 3804 B11R0.177 CCOC(=O)C(C)C(=O)NNC 22a_100016993582_100132301724 [0,2,0,0,0,0|2,0,0]=4 3805 B11R0.177 CCOC(=O)C(F)C(=O)C=CBr 1458a_100016273825_100000760018 [0,2,0,0,0,0|1,0,1]=4 3806 B11R0.177 CCOC(=O)C(F)C(=O)C=CCl 1458a_200016279998_100000760018 [0,2,0,0,0,0|1,0,1]=4 3807 B11R0.177 CCOC(=O)C(F)C(=O)C=CI 1458a_100016256311_100000760018 [0,2,0,0,0,0|1,0,1]=4 3808 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,2,0,0,0,0|1,0,1]=4 3809 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,2,0,0,0,0|1,0,1]=4 3810 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,2,0,0,0,0|1,0,1]=4 3811 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,2,0,0,0,0|0,0,2]=4 3812 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,2,0,0,0,0|0,0,2]=4 3813 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [0,2,0,0,0,0|1,0,1]=4 3814 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [0,2,0,0,0,0|1,0,1]=4 3815 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [0,2,0,0,0,0|1,0,1]=4 3816 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [0,2,0,0,0,0|1,0,1]=4 3817 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [0,2,0,0,0,0|1,0,1]=4 3818 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [0,2,0,0,0,0|1,0,1]=4 3819 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [0,2,0,0,0,0|1,0,1]=4 3820 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,2,0,0,0,0|1,0,1]=4 3821 B11R0.187 C/C=C(\C)/C(=O)CC(=O)CCC 1458a_100020587367_100000747444 [0,2,0,0,0,0|1,0,1]=4 3822 B11R0.187 C/C=C(\C)/C(=O)CC(=O)NCC 1458a_100020587367_100000183381 [0,2,0,0,0,0|1,0,1]=4 3823 B11R0.187 C/C=C(\C)/C(=O)CC(=O)OCC 1458a_100020587367_100000188475 [0,2,0,0,0,0|0,0,1]=3 3824 B11R0.187 C=C(CC(=O)OCC)C(=O)NC 1626a_100102657272_200000043866 [0,2,0,0,0,0|1,0,0]=3 3825 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,2,0,0,0,0|1,0,1]=4 3826 B11R0.187 C=C(CCC)CC(=O)N(C)CC 11a_100000225621_100000138376 [0,2,0,0,0,0|1,0,1]=4 3827 B11R0.187 C=C(CCC)CC(=O)N(C)CC 240690a_100000225621_100000138376 [0,2,0,0,0,0|1,0,1]=4 3828 B11R0.187 C=C(CCC)CC(=O)N(C)CC 527a_100000225621_100000138376 [0,2,0,0,0,0|1,0,1]=4 3829 B11R0.187 CC=CC(=O)CC(=O)N(C)CC 1458a_100000210699_100011894763 [0,2,0,0,0,0|1,0,1]=4 3830 B11R0.187 CCCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747444 [0,2,0,0,0,0|2,0,0]=4 3831 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,2,0,0,0,0|1,0,1]=4 3832 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,2,0,0,0,0|1,0,1]=4 3833 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [0,2,0,0,0,0|1,0,1]=4 3834 B11R0.187 CCNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183381 [0,2,0,0,0,0|2,0,0]=4 3835 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,2,0,0,0,0|1,0,1]=4 3836 B11R0.187 CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183381 [0,2,0,0,0,0|1,0,1]=4 3837 B11R0.187 CCNC(=O)CN(C)C(=O)CC 11a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 3838 B11R0.187 CCNC(=O)CN(C)C(=O)CC 1626a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 3839 B11R0.187 CCNC(=O)CN(C)C(=O)CC 240690a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 3840 B11R0.187 CCNC(=O)CN(C)C(=O)CC 527a_100000741943_100000210414 [0,2,0,0,0,0|2,0,0]=4 3841 B11R0.187 CCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000188475 [0,2,0,0,0,0|1,0,0]=3 3842 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,2,0,0,0,0|0,0,1]=3 3843 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,2,0,0,0,0|0,0,1]=3 3844 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,2,0,0,0,0|1,0,1]=4 3845 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,2,0,0,0,0|1,0,1]=4 3846 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,2,0,0,0,0|1,0,1]=4 3847 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,2,0,0,0,0|1,0,1]=4 3848 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,2,0,0,0,0|1,0,1]=4 3849 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,2,0,0,0,0|1,0,1]=4 3850 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,2,0,0,0,0|0,0,1]=3 3851 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,2,0,0,0,0|1,0,1]=4 3852 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,2,0,0,0,0|1,0,0]=3 3853 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,2,0,0,0,0|0,0,1]=3 3854 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,2,0,0,0,0|1,0,1]=4 3855 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,2,0,0,0,0|1,0,1]=4 3856 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,2,0,0,0,0|1,0,1]=4 3857 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 3858 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 3859 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 3860 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [0,2,0,0,0,0|1,0,0]=3 3861 B11R0.187 CCOC(=O)CN(C)C(=O)CO 240690a_100000220588_100000210174 [0,2,0,0,0,0|2,0,0]=4 3862 B11R0.187 CCOC(=O)CN(C)C(=O)CO 527a_100000220588_100000210174 [0,2,0,0,0,0|2,0,0]=4 3863 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,2,0,0,0,0|1,0,1]=4 3864 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,2,0,0,0,0|1,0,1]=4 3865 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,2,0,0,0,0|1,0,1]=4 3866 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 270084a_100015525214_100000738689 [0,2,0,0,0,0|2,0,0]=4 3867 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 274078a_100015525214_100000738689 [0,2,0,0,0,0|2,0,0]=4 3868 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,2,0,0,0,0|1,0,1]=4 3869 B11R0.6 C=C(C)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000748629 [0,2,0,0,0,0|1,0,1]=4 3870 B11R0.6 CC(Br)COCC(=O)OC(C)C 34a_100012180447_100011215430 [0,2,0,0,0,0|1,0,1]=4 3871 B11R0.6 CC(C)/C=C/CC(=O)CC(C)C 1458a_100016292215_100000210624 [0,2,0,0,0,0|1,0,0]=3 3872 B11R0.6 CC(C)/C=C/CC(=O)CC(C)O 1458a_100016292215_100011218427 [0,2,0,0,0,0|1,0,0]=3 3873 B11R0.6 CC(C)/C=C/CC(=O)CC(F)F 1458a_100016292215_100011934356 [0,2,0,0,0,0|2,0,0]=4 3874 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 11a_100138425928_100016292215 [0,2,0,0,0,0|1,0,0]=3 3875 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 1626a_100138425928_100016292215 [0,2,0,0,0,0|1,0,0]=3 3876 B11R0.6 CC(C)/C=C/CC(=O)NC(C)C 240690a_100138425928_100016292215 [0,2,0,0,0,0|1,0,0]=3 3877 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,2,0,0,0,0|1,0,1]=4 3878 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,2,0,0,0,0|1,0,1]=4 3879 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,2,0,0,0,0|1,0,1]=4 3880 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,2,0,0,0,0|1,0,1]=4 3881 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,2,0,0,0,0|1,0,1]=4 3882 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,2,0,0,0,0|1,0,1]=4 3883 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,2,0,0,0,0|1,0,1]=4 3884 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,2,0,0,0,0|1,0,1]=4 3885 B11R0.6 CC(C)OC(=O)COC[C@@H](C)Cl 34a_100016084084_100011215430 [0,2,0,0,0,0|1,0,1]=4 3886 B11R0.6 CC(C)OC(=O)COC[C@@H](C)N 34a_100000737577_100011215430 [0,2,0,0,0,0|1,0,1]=4 3887 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100009817552_100011215430 [0,2,0,0,0,0|1,0,1]=4 3888 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100011215430_100009817552 [0,2,0,0,0,0|1,0,1]=4 3889 B11R0.6 CC(F)COCC(=O)OC(C)C 34a_100015925927_100011215430 [0,2,0,0,0,0|1,0,1]=4 3890 B11R0.6 CC(O)CNCC(=O)OC(C)C 2230a_100000210904_100011215430 [0,2,0,0,0,0|1,0,1]=4 3891 B11R0.6 CC(O)CNCC(=O)OC(C)C 34a_100000210904_100011215430 [0,2,0,0,0,0|1,0,1]=4 3892 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218427 [0,2,0,0,0,0|1,0,1]=4 3893 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011218427_100011215430 [0,2,0,0,0,0|1,0,1]=4 3894 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,2,0,0,0,0|1,0,1]=4 3895 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,2,0,0,0,0|1,0,1]=4 3896 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [0,2,0,0,0,0|1,0,1]=4 3897 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [0,2,0,0,0,0|1,0,1]=4 3898 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [0,2,0,0,0,0|1,0,1]=4 3899 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,2,0,0,0,0|1,0,1]=4 3900 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [0,2,0,0,0,0|1,0,1]=4 3901 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [0,2,0,0,0,0|1,0,1]=4 3902 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [0,2,0,0,0,0|1,0,1]=4 3903 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,2,0,0,0,0|1,0,1]=4 3904 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,2,0,0,0,0|1,0,1]=4 3905 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [0,2,0,0,0,0|1,0,1]=4 3906 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [0,2,0,0,0,0|1,0,1]=4 3907 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [0,2,0,0,0,0|1,0,1]=4 3908 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [0,2,0,0,0,0|1,0,1]=4 3909 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,2,0,0,0,0|1,0,1]=4 3910 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,2,0,0,0,0|1,0,1]=4 3911 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [0,2,0,0,0,0|1,0,1]=4 3912 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [0,2,0,0,0,0|1,0,1]=4 3913 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [0,2,0,0,0,0|1,0,1]=4 3914 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,2,0,0,0,0|1,0,1]=4 3915 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [0,2,0,0,0,0|1,0,1]=4 3916 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [0,2,0,0,0,0|1,0,1]=4 3917 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [0,2,0,0,0,0|1,0,1]=4 3918 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,2,0,0,0,0|1,0,1]=4 3919 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,2,0,0,0,0|1,0,1]=4 3920 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [0,2,0,0,0,0|1,0,1]=4 3921 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [0,2,0,0,0,0|1,0,1]=4 3922 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [0,2,0,0,0,0|1,0,1]=4 3923 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [0,2,0,0,0,0|1,0,1]=4 3924 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,2,0,0,0,0|1,0,1]=4 3925 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [0,2,0,0,0,0|1,0,1]=4 3926 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [0,2,0,0,0,0|1,0,1]=4 3927 B11R0.141 C=C(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000185857 [0,2,0,0,0,0|1,0,1]=4 3928 B11R0.141 CCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210303 [0,2,0,0,0,0|2,0,0]=4 3929 B11R0.141 CCCC(=O)COC(=O)C(C)C 1458a_100000211992_100000139345 [0,2,0,0,0,0|2,0,0]=4 3930 B11R0.141 CCNC(=O)CCC(=O)C(C)C 1458a_100000199579_100000210206 [0,2,0,0,0,0|1,0,1]=4 3931 B11R0.141 CCNC(=O)CNC(=O)C(C)C 11a_100015525214_100000194582 [0,2,0,0,0,0|2,0,0]=4 3932 B11R0.141 CCNC(=O)CNC(=O)C(C)C 11a_100016988866_100000210198 [0,2,0,0,0,0|2,0,0]=4 3933 B11R0.141 CCNC(=O)CNC(=O)C(C)C 1626a_100016988866_100000210198 [0,2,0,0,0,0|2,0,0]=4 3934 B11R0.141 CCNC(=O)CNC(=O)C(C)C 240690a_100015525214_100000194582 [0,2,0,0,0,0|2,0,0]=4 3935 B11R0.141 CCNC(=O)CNC(=O)C(C)C 240690a_100016988866_100000210198 [0,2,0,0,0,0|2,0,0]=4 3936 B11R0.141 CCNC(=O)CNC(=O)C(C)C 527a_100015525214_100000194582 [0,2,0,0,0,0|2,0,0]=4 3937 B11R0.141 CCNC(=O)CNC(=O)C(C)C 527a_100016988866_100000210198 [0,2,0,0,0,0|2,0,0]=4 3938 B11R0.141 CCNC(=O)CNC(=O)C(C)F 11a_100016988866_100000062450 [0,2,0,0,0,0|2,0,0]=4 3939 B11R0.141 CCNC(=O)CNC(=O)C(C)F 1626a_100016988866_100000062450 [0,2,0,0,0,0|2,0,0]=4 3940 B11R0.141 CCNC(=O)CNC(=O)C(C)F 240690a_100016988866_100000062450 [0,2,0,0,0,0|2,0,0]=4 3941 B11R0.141 CCNC(=O)CNC(=O)C(C)F 527a_100016988866_100000062450 [0,2,0,0,0,0|2,0,0]=4 3942 B11R0.141 CCNC(=O)CNC(=O)[C@@H](C)O 240690a_100016988866_100000717761 [0,2,0,0,0,0|2,0,0]=4 3943 B11R0.141 CCNC(=O)CNC(=O)[C@H](C)O 1626a_100016988866_217856618621 [0,2,0,0,0,0|2,0,0]=4 3944 B11R0.141 CCNC(=O)CNC(=O)[C@H](C)O 240690a_100016988866_217856618621 [0,2,0,0,0,0|2,0,0]=4 3945 B11R0.141 CCOC(=O)C=CC(=O)C(C)C 1458a_100000210415_100000210206 [0,2,0,0,0,0|0,0,1]=3 3946 B11R0.141 CCOC(=O)C=CC(=O)N(C)C 1626a_100102631434_100000210415 [0,2,0,0,0,0|1,0,1]=4 3947 B11R0.141 CCOC(=O)C=CC(=O)N(C)C 240690a_100102631434_100000210415 [0,2,0,0,0,0|1,0,1]=4 3948 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,2,0,0,0,0|0,0,1]=3 3949 B11R0.141 CCOC(=O)CCC(=O)N(C)C 11a_100102631434_100000183558 [0,2,0,0,0,0|1,0,1]=4 3950 B11R0.141 CCOC(=O)CCC(=O)N(C)C 1626a_100102631434_100000183558 [0,2,0,0,0,0|1,0,1]=4 3951 B11R0.141 CCOC(=O)CCC(=O)N(C)C 240690a_100102631434_100000183558 [0,2,0,0,0,0|1,0,1]=4 3952 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,2,0,0,0,0|1,0,1]=4 3953 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,2,0,0,0,0|1,0,1]=4 3954 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,2,0,0,0,0|1,0,1]=4 3955 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,2,0,0,0,0|1,0,1]=4 3956 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,2,0,0,0,0|1,0,1]=4 3957 B11R0.141 CCOC(=O)CNC(=O)C(C)C 188690a_100000741813_100000210198 [0,2,0,0,0,0|1,0,0]=3 3958 B11R0.141 CCOC(=O)CNC(=O)C(C)F 188690a_100000741813_100000062450 [0,2,0,0,0,0|1,0,0]=3 3959 B11R0.141 CCOC(=O)CNC(=O)C(O)O 188690a_100000741813_100000233687 [0,2,0,0,0,0|2,0,0]=4 3960 B11R0.141 CCOC(=O)CNC(=O)[C@@H](C)O 188690a_100000741813_100000717761 [0,2,0,0,0,0|1,0,0]=3 3961 B11R0.141 CCOC(=O)CNC(=O)[C@H](C)O 188690a_100000741813_217856618621 [0,2,0,0,0,0|1,0,0]=3 3962 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,2,0,0,0,0|1,0,1]=4 3963 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,2,0,0,0,0|1,0,1]=4 3964 B11R0.141 CCOC(=O)NCC(=O)C(C)C 1458a_100000190774_100000210206 [0,2,0,0,0,0|1,0,1]=4 3965 B11R0.145 CCC(C)C(=O)C/C=C/C(C)C 1458a_100016292215_100000758301 [0,2,0,0,0,0|1,0,0]=3 3966 B11R0.145 CCN(C)C(=O)C/C=C/C(C)C 11a_100000225621_100016292215 [0,2,0,0,0,0|1,0,0]=3 3967 B11R0.145 CCN(C)C(=O)C/C=C/C(C)C 1626a_100000225621_100016292215 [0,2,0,0,0,0|1,0,0]=3 3968 B11R0.145 CCN(C)C(=O)C/C=C/C(C)C 240690a_100000225621_100016292215 [0,2,0,0,0,0|1,0,0]=3 3969 B11R0.147 C#CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000753159 [0,2,0,0,0,0|1,0,1]=4 3970 B11R0.147 C#CCNC(=O)C/C=C/C(C)C 11a_100000212058_100016292215 [0,2,0,0,0,0|1,0,1]=4 3971 B11R0.147 C#CCNC(=O)C/C=C/C(C)C 1626a_100000212058_100016292215 [0,2,0,0,0,0|1,0,1]=4 3972 B11R0.147 C#CCNC(=O)C/C=C/C(C)C 240690a_100000212058_100016292215 [0,2,0,0,0,0|1,0,1]=4 3973 B11R0.147 C/C=C/CC(=O)C/C=C/C(C)C 1458a_100016292215_100102629194 [0,2,0,0,0,0|1,0,1]=4 3974 B11R0.147 C=CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000754431 [0,2,0,0,0,0|1,0,1]=4 3975 B11R0.147 C=CCNC(=O)C/C=C/C(C)C 1626a_100020586998_100016292215 [0,2,0,0,0,0|1,0,1]=4 3976 B11R0.147 C=CCNC(=O)C/C=C/C(C)C 240690a_100020586998_100016292215 [0,2,0,0,0,0|1,0,1]=4 3977 B11R0.147 CC#CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000748600 [0,2,0,0,0,0|1,0,1]=4 3978 B11R0.147 CC(C)/C=C/CC(=O)CCC#N 1458a_100016292215_100011215226 [0,2,0,0,0,0|1,0,1]=4 3979 B11R0.147 CC(C)/C=C/CC(=O)CCCF 1458a_100016292215_100011934791 [0,2,0,0,0,0|1,0,0]=3 3980 B11R0.147 CC(C)/C=C/CC(=O)CCCO 1458a_100016292215_100011215043 [0,2,0,0,0,0|1,0,0]=3 3981 B11R0.147 CC(C)/C=C/CC(=O)NCC#N 1626a_100000734998_100016292215 [0,2,0,0,0,0|1,0,1]=4 3982 B11R0.147 CC(C)/C=C/CC(=O)NCCF 11a_100000724931_100016292215 [0,2,0,0,0,0|1,0,0]=3 3983 B11R0.147 CC(C)/C=C/CC(=O)NCCF 1626a_100000724931_100016292215 [0,2,0,0,0,0|1,0,0]=3 3984 B11R0.147 CC(C)/C=C/CC(=O)NCCF 240690a_100000724931_100016292215 [0,2,0,0,0,0|1,0,0]=3 3985 B11R0.147 CC(C)/C=C/CC(=O)NCCO 240690a_100000210304_100016292215 [0,2,0,0,0,0|1,0,0]=3 3986 B11R0.147 CC=CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000070051 [0,2,0,0,0,0|1,0,1]=4 3987 B11R0.147 CCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210211 [0,2,0,0,0,0|1,0,0]=3 3988 B11R0.147 CCCNC(=O)C/C=C/C(C)C 11a_100020643023_100016292215 [0,2,0,0,0,0|1,0,0]=3 3989 B11R0.147 CCCNC(=O)C/C=C/C(C)C 1626a_100020643023_100016292215 [0,2,0,0,0,0|1,0,0]=3 3990 B11R0.147 CCCNC(=O)C/C=C/C(C)C 240690a_100020643023_100016292215 [0,2,0,0,0,0|1,0,0]=3 3991 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,2,0,0,0,0|1,0,1]=4 3992 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,2,0,0,0,0|1,0,1]=4 3993 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,2,0,0,0,0|1,0,1]=4 3994 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,2,0,0,0,0|1,0,1]=4 3995 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [0,2,0,0,0,0|1,0,1]=4 3996 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,2,0,0,0,0|1,0,1]=4 3997 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [0,2,0,0,0,0|1,0,1]=4 3998 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [0,2,0,0,0,0|1,0,1]=4 3999 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [0,2,0,0,0,0|1,0,1]=4 4000 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,2,0,0,0,0|1,0,1]=4 4001 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,2,0,0,0,0|1,0,1]=4 4002 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,2,0,0,0,0|1,0,1]=4 4003 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,2,0,0,0,0|1,0,1]=4 4004 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,2,0,0,0,0|1,0,1]=4 4005 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,2,0,0,0,0|1,0,1]=4 4006 B11R0.147 CCNNC(=O)C/C=C/C(C)C 22a_100000756455_100016292215 [0,2,0,0,0,0|1,0,0]=3 4007 B11R0.147 CCOCC(=O)C/C=C/B(O)O 1458a_100000211967_100016262062 [0,2,0,0,0,0|2,0,0]=4 4008 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,2,0,0,0,0|0,0,2]=4 4009 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,2,0,0,0,0|0,0,2]=4 4010 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|0,0,2]=4 4011 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [0,2,0,0,0,0|1,0,1]=4 4012 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [0,2,0,0,0,0|1,0,1]=4 4013 B11R0.147 CCOCC(=O)NN=CC(C)C 4a_100000216846_100000210432 [0,2,0,0,0,0|2,0,0]=4 4014 B11R0.147 COCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000233755 [0,2,0,0,0,0|1,0,0]=3 4015 B11R0.147 CSCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000751147 [0,2,0,0,0,0|1,0,0]=3 4016 B11R0.180 CCOC(=O)CCNC(C)(C)C 2230a_100000715429_100011206558 [0,2,0,0,0,0|1,0,1]=4 4017 B11R0.180 CCOC(=O)CCOC(C)(C)C 34a_100015890283_100000765890 [0,2,0,0,0,0|1,0,1]=4 4018 B11R0.180 CCOC(=O)CCOC(C)(C)C 7a_100015890283_100011206558 [0,2,0,0,0,0|1,0,1]=4 4019 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000211941_100000765890 [0,2,0,0,0,0|1,0,1]=4 4020 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000765890_100000211941 [0,2,0,0,0,0|1,0,1]=4 4021 B11R0.180 CCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000188475 [0,2,0,0,0,0|1,0,1]=4 4022 B11R0.180 CCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000188475 [0,2,0,0,0,0|1,0,1]=4 4023 B11R0.180 CCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000188475 [0,2,0,0,0,0|1,0,1]=4 4024 B11R0.180 CCOC(=O)COCC(C)(C)F 34a_100000716592_100000188475 [0,2,0,0,0,0|1,0,1]=4 4025 B11R0.180 CCOC(=O)COCC(C)(F)F 34a_100000068830_100000188475 [0,2,0,0,0,0|1,0,1]=4 4026 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100000188475_100011219605 [0,2,0,0,0,0|1,0,1]=4 4027 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100011219605_100000188475 [0,2,0,0,0,0|1,0,1]=4 4028 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100000188475_100011997219 [0,2,0,0,0,0|1,0,1]=4 4029 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100011997219_100000188475 [0,2,0,0,0,0|1,0,1]=4 4030 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000188475_100000764493 [0,2,0,0,0,0|1,0,1]=4 4031 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000764493_100000188475 [0,2,0,0,0,0|1,0,1]=4 4032 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210303 [0,2,0,0,0,0|1,0,1]=4 4033 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210303 [0,2,0,0,0,0|1,0,1]=4 4034 B11R0.68 CCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210202 [0,2,0,0,0,0|1,0,1]=4 4035 B11R0.107 CC(C)OC(=O)CCC(=O)CO 1458a_100000210174_100000760027 [0,2,0,0,0,0|1,0,1]=4 4036 B11R0.107 CCC(=O)CCC(=O)NC(C)C 1458a_100000210414_100000737564 [0,2,0,0,0,0|1,0,1]=4 4037 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,2,0,0,0,0|0,0,1]=3 4038 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [0,2,0,0,0,0|1,0,1]=4 4039 B11R0.107 CCC(=O)NCC(=O)CC(C)C 1458a_100000194589_100000210624 [0,2,0,0,0,0|2,0,0]=4 4040 B11R0.107 CCC(=O)NCC(=O)CC(C)O 1458a_100000194589_100011218427 [0,2,0,0,0,0|2,0,0]=4 4041 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 4042 B11R0.107 CCC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 4043 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 4044 B11R0.107 CCC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 4045 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 4046 B11R0.107 CCC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 4047 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000210414 [0,2,0,0,0,0|2,0,0]=4 4048 B11R0.107 CCC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194589 [0,2,0,0,0,0|2,0,0]=4 4049 B11R0.107 CCC(C)NCC(=O)OC(C)C 2230a_100000209981_100011215430 [0,2,0,0,0,0|1,0,1]=4 4050 B11R0.107 CCC(C)OCC(=O)OC(C)C 7a_100000210228_100011215430 [0,2,0,0,0,0|1,0,1]=4 4051 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100000758301_100011215430 [0,2,0,0,0,0|1,0,1]=4 4052 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100011215430_100000758301 [0,2,0,0,0,0|1,0,1]=4 4053 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [0,2,0,0,0,0|1,0,1]=4 4054 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [0,2,0,0,0,0|1,0,1]=4 4055 B11R0.107 CNC(=O)C=CC(=O)OC(C)C 1626a_100102657272_200016297642 [0,2,0,0,0,0|1,0,1]=4 4056 B11R0.139 CC/C=C/CC(=O)C(C)C(=O)C 1458a_100016274230_100000179758 [0,2,0,0,0,0|1,0,1]=4 4057 B11R0.139 CC/C=C/CC(=O)N(C)C(C)C 11a_200000211004_100016274230 [0,2,0,0,0,0|1,0,0]=3 4058 B11R0.139 CC/C=C/CC(=O)N(C)C(C)C 1626a_200000211004_100016274230 [0,2,0,0,0,0|1,0,0]=3 4059 B11R0.139 CC/C=C/CC(=O)N(C)C(C)C 240690a_200000211004_100016274230 [0,2,0,0,0,0|1,0,0]=3 4060 B11R0.139 CC/C=C/CC(=O)N(C)C(C)C 527a_200000211004_100016274230 [0,2,0,0,0,0|1,0,0]=3 4061 B11R0.139 CC/C=C\CC(=O)C(=O)N(C)C 1458a_100011218876_100103147603 [0,2,0,0,0,0|2,0,0]=4 4062 B11R0.139 CC/C=C\CC(=O)C(C)C(C)C 1458a_100000755409_100103147603 [0,2,0,0,0,0|1,0,0]=3 4063 B11R0.139 CC/C=C\CC(=O)[C@H](C)N(C)C 1458a_100009822176_100103147603 [0,2,0,0,0,0|2,0,0]=4 4064 B11R0.139 CC/C=C\CC(=O)[C@H](O)C(C)C 1458a_100000691806_100103147603 [0,2,0,0,0,0|1,0,0]=3 4065 B11R0.154 C#CC(C)NC(=O)C/C=C/CC 11a_100000707721_100016274230 [0,2,0,0,0,0|1,0,0]=3 4066 B11R0.154 C#CC(C)NC(=O)C/C=C/CC 1626a_100000707721_100016274230 [0,2,0,0,0,0|1,0,0]=3 4067 B11R0.154 C#CC(C)NC(=O)C/C=C/CC 240690a_100000707721_100016274230 [0,2,0,0,0,0|1,0,0]=3 4068 B11R0.154 C#CC(C)NC(=O)C/C=C/CC 527a_100000707721_100016274230 [0,2,0,0,0,0|1,0,0]=3 4069 B11R0.154 C=CC(C)CC(=O)C/C=C\CC 1458a_100011934298_100103147603 [0,2,0,0,0,0|1,0,0]=3 4070 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [0,2,0,0,0,0|1,0,0]=3 4071 B11R0.154 CC/C=C/CC(=O)CC(=O)NC 1458a_100016274230_100000183359 [0,2,0,0,0,0|1,0,1]=4 4072 B11R0.154 CC/C=C/CC(=O)CC(=O)OC 1458a_100016274230_100000747449 [0,2,0,0,0,0|1,0,1]=4 4073 B11R0.154 CC/C=C/CC(=O)CC(C)CC 1458a_100016274230_100000748023 [0,2,0,0,0,0|1,0,0]=3 4074 B11R0.154 CC/C=C/CC(=O)CC(O)CC 1458a_100016274230_100011218378 [0,2,0,0,0,0|1,0,0]=3 4075 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CC 1458a_100016274230_100009816398 [0,2,0,0,0,0|1,0,0]=3 4076 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CO 1458a_100016274230_100000059175 [0,2,0,0,0,0|1,0,0]=3 4077 B11R0.154 CC/C=C/CC(=O)NC(C)C#N 11a_100000737613_100016274230 [0,2,0,0,0,0|1,0,0]=3 4078 B11R0.154 CC/C=C/CC(=O)NC(C)C#N 1626a_100000737613_100016274230 [0,2,0,0,0,0|1,0,0]=3 4079 B11R0.154 CC/C=C/CC(=O)NC(C)C#N 527a_100000737613_100016274230 [0,2,0,0,0,0|1,0,0]=3 4080 B11R0.154 CC/C=C/CC(=O)NC(C)CC 11a_100000209981_100016274230 [0,2,0,0,0,0|1,0,0]=3 4081 B11R0.154 CC/C=C/CC(=O)NC(C)CC 1626a_100000209981_100016274230 [0,2,0,0,0,0|1,0,0]=3 4082 B11R0.154 CC/C=C/CC(=O)NC(C)CC 240690a_100000209981_100016274230 [0,2,0,0,0,0|1,0,0]=3 4083 B11R0.154 CC/C=C/CC(=O)NC(C)CC 527a_100000209981_100016274230 [0,2,0,0,0,0|1,0,0]=3 4084 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CF 11a_100102880703_100016274230 [0,2,0,0,0,0|1,0,0]=3 4085 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CF 1626a_100102880703_100016274230 [0,2,0,0,0,0|1,0,0]=3 4086 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CF 240690a_100102880703_100016274230 [0,2,0,0,0,0|1,0,0]=3 4087 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CF 527a_100102880703_100016274230 [0,2,0,0,0,0|1,0,0]=3 4088 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CO 240690a_100000737577_100016274230 [0,2,0,0,0,0|1,0,0]=3 4089 B11R0.154 CC/C=C/CC(=O)N[C@H](C)CO 527a_100000737577_100016274230 [0,2,0,0,0,0|1,0,0]=3 4090 B11R0.154 CC/C=C\CC(=O)C=C(C)CC 1458a_100020758463_100103147603 [0,2,0,0,0,0|1,0,0]=3 4091 B11R0.154 CC/C=C\CC(=O)CC(=O)OC 1458a_100000211351_100103147603 [0,2,0,0,0,0|1,0,1]=4 4092 B11R0.154 CC/C=C\CC(=O)CC(C)CC 1458a_100000708755_100103147603 [0,2,0,0,0,0|1,0,0]=3 4093 B11R0.154 CC/C=C\CC(=O)CC(O)CC 1458a_100011667805_100103147603 [0,2,0,0,0,0|1,0,0]=3 4094 B11R0.154 CC/C=C\CC(=O)CN(C)CC 1458a_100116209913_100103147603 [0,2,0,0,0,0|1,0,0]=3 4095 B11R0.165 CC/C=C/CC(=O)C[Si](C)(C)C 1458a_100016274230_100000233785 [0,2,0,0,0,0|1,1,0]=4 4096 B11R0.165 CC/C=C/CC(=O)NC(C)(C)C 11a_100000715429_100016274230 [0,2,0,0,0,0|1,0,0]=3 4097 B11R0.165 CC/C=C/CC(=O)NC(C)(C)C 1626a_100000715429_100016274230 [0,2,0,0,0,0|1,0,0]=3 4098 B11R0.165 CC/C=C/CC(=O)NC(C)(C)C 240690a_100000715429_100016274230 [0,2,0,0,0,0|1,0,0]=3 4099 B11R0.165 CC/C=C/CC(=O)NC(C)(C)C 527a_100000715429_100016274230 [0,2,0,0,0,0|1,0,0]=3 4100 B11R0.165 CC/C=C/CC(=O)NS(=O)(=O)C 2740a_100000171171_100016274230 [0,2,0,0,0,0|2,0,0]=4 4101 B11R0.165 CC/C=C\CC(=O)CC(C)(C)C 1458a_100000211214_100103147603 [0,2,0,0,0,0|1,0,0]=3 4102 B11R0.165 CC/C=C\CC(=O)CC(C)(C)O 1458a_100000693243_100103147603 [0,2,0,0,0,0|1,0,0]=3 4103 B11R0.165 CC/C=C\CC(=O)CC(F)(F)F 1458a_100000245130_100103147603 [0,2,0,0,0,0|2,0,0]=4 4104 B11R0.165 CC/C=C\CC(=O)CS(=O)(=O)C 1458a_100000744497_100103147603 [0,2,0,0,0,0|2,0,0]=4 4105 B11R0.165 CC/C=C\CC(=O)C[N+](C)(C)C 1458a_100000033712_100103147603 [0,2,0,0,0,0|2,0,0]=4 4106 B11R0.165 CC/C=C\CC(=O)C[Si](C)(C)C 1458a_100011218504_100103147603 [0,2,0,0,0,0|1,1,0]=4 4107 B11R0.165 CCCOCC(=O)OC(C)(C)C 34a_100000210258_100000183872 [0,2,0,0,0,0|1,0,1]=4 4108 B11R0.165 CCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210303 [0,2,0,0,0,0|1,0,1]=4 4109 B11R0.165 CCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210303 [0,2,0,0,0,0|1,0,1]=4 4110 B11R0.165 CCCSCC(=O)OC(C)(C)C 62a_100000210303_100000183872 [0,2,0,0,0,0|1,0,1]=4 4111 B11R0.165 CCNCCC(=O)OC(C)(C)C 2230a_100015525214_100009816755 [0,2,0,0,0,0|1,0,1]=4 4112 B11R0.165 CCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210202 [0,2,0,0,0,0|1,0,1]=4 4113 B11R0.165 CCOCCC(=O)OC(C)(C)C 34a_100121572206_100009816755 [0,2,0,0,0,0|1,0,1]=4 4114 B11R0.165 CCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210202 [0,2,0,0,0,0|1,0,1]=4 4115 B11R0.165 CCSCCC(=O)OC(C)(C)C 62a_100000210202_100009816755 [0,2,0,0,0,0|1,0,1]=4 4116 B11R0.165 CCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210202 [0,2,0,0,0,0|1,0,1]=4 4117 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,2,0,0,0,0|0,0,2]=4 4118 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [0,2,0,0,0,0|1,0,1]=4 4119 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [0,2,0,0,0,0|1,0,1]=4 4120 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [0,2,0,0,0,0|1,0,1]=4 4121 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [0,2,0,0,0,0|1,0,1]=4 4122 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [0,2,0,0,0,0|1,0,1]=4 4123 B11R0.43 CCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210303 [0,2,0,0,0,0|2,0,0]=4 4124 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4125 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100015525214_100000194823 [0,2,0,0,0,0|2,0,0]=4 4126 B11R0.43 CCNC(=O)C(C)NC(=O)CC 1626a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4127 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4128 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100015525214_100000194823 [0,2,0,0,0,0|2,0,0]=4 4129 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100000736553_100000210414 [0,2,0,0,0,0|2,0,0]=4 4130 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100015525214_100000194823 [0,2,0,0,0,0|2,0,0]=4 4131 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [0,2,0,0,0,0|1,0,1]=4 4132 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [0,2,0,0,0,0|1,0,1]=4 4133 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [0,2,0,0,0,0|1,0,1]=4 4134 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [0,2,0,0,0,0|1,0,1]=4 4135 B11R0.43 CCOC(=O)C(F)NC(C)CC 2230a_100000209981_100000760018 [0,2,0,0,0,0|1,0,1]=4 4136 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [0,2,0,0,0,0|1,0,1]=4 4137 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000758301_100000760018 [0,2,0,0,0,0|1,0,1]=4 4138 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000760018_100000758301 [0,2,0,0,0,0|1,0,1]=4 4139 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [0,2,0,0,0,0|1,0,0]=3 4140 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CO 188690a_100016988386_100000210174 [0,2,0,0,0,0|2,0,0]=4 4141 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [0,2,0,0,0,0|1,0,1]=4 4142 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 11a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4143 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 1626a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4144 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 240690a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4145 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 527a_100103168634_100000210414 [0,2,0,0,0,0|1,1,0]=4 4146 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,2,0,0,0,0|0,0,2]=4 4147 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,2,0,0,0,0|0,0,2]=4 4148 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,2,0,0,0,0|0,0,2]=4 4149 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,2,0,0,0,0|0,0,2]=4 4150 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,2,0,0,0,0|0,0,2]=4 4151 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,2,0,0,0,0|0,0,2]=4 4152 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,2,0,0,0,0|0,0,2]=4 4153 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,2,0,0,0,0|0,0,2]=4 4154 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,2,0,0,0,0|0,0,2]=4 4155 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,2,0,0,0,0|0,0,2]=4 4156 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,2,0,0,0,0|0,0,2]=4 4157 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,2,0,0,0,0|0,0,2]=4 4158 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100000210258_100000212269 [0,2,0,0,0,0|1,0,1]=4 4159 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100011216719_100000210303 [0,2,0,0,0,0|1,0,1]=4 4160 B11R0.191 CCCOC(CC)C(=O)OCC 7a_100011216719_100000210303 [0,2,0,0,0,0|1,0,1]=4 4161 B11R0.191 CCCOC(SC)C(=O)OCC 34a_100000210258_100009893047 [0,2,0,0,0,0|1,0,1]=4 4162 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [0,2,0,0,0,0|1,0,1]=4 4163 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [0,2,0,0,0,0|1,0,1]=4 4164 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000210303_100000212269 [0,2,0,0,0,0|1,0,1]=4 4165 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000212269_100000210303 [0,2,0,0,0,0|1,0,1]=4 4166 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100000210303_100009893047 [0,2,0,0,0,0|1,0,1]=4 4167 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100009893047_100000210303 [0,2,0,0,0,0|1,0,1]=4 4168 B11R0.247 CCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210303 [0,2,0,0,0,0|1,0,1]=4 4169 B11R0.247 CCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210303 [0,2,0,0,0,0|1,0,1]=4 4170 B11R0.247 CCCOC(F)(F)C(=O)OCC 34a_100000210258_100000210910 [0,2,0,0,0,0|1,0,1]=4 4171 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100000210303_100011216345 [0,2,0,0,0,0|1,0,1]=4 4172 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210303 [0,2,0,0,0,0|1,0,1]=4 4173 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210303_100000210910 [0,2,0,0,0,0|1,0,1]=4 4174 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210303 [0,2,0,0,0,0|1,0,1]=4 4175 B11R0.247 CCNCC(C)(C)C(=O)OCC 2230a_100015525214_100011219049 [0,2,0,0,0,0|1,0,1]=4 4176 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100000210202_100011219049 [0,2,0,0,0,0|1,0,1]=4 4177 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100011219049_100000210202 [0,2,0,0,0,0|1,0,1]=4 4178 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100000210202_100009817193 [0,2,0,0,0,0|1,0,1]=4 4179 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100009817193_100000210202 [0,2,0,0,0,0|1,0,1]=4 4180 B11R0.247 CCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210202 [0,2,0,0,0,0|1,0,1]=4 4181 B11R0.247 CCOCC(F)(F)C(=O)OCC 34a_100121572206_100009817193 [0,2,0,0,0,0|1,0,1]=4 4182 B11R0.87 CC/C=C\CC(=O)C(C)(C)CC 1458a_100000749717_100103147603 [0,2,0,0,0,0|1,0,0]=3 4183 B11R0.87 CC/C=C\CC(=O)C(C)(C)CF 1458a_100000138116_100103147603 [0,2,0,0,0,0|2,0,0]=4 4184 B11R0.87 CC/C=C\CC(=O)C(C)(C)CO 1458a_100000749806_100103147603 [0,2,0,0,0,0|2,0,0]=4 4185 B11R0.87 CC/C=C\CC(=O)C(C)(C)OC 1458a_100000753492_100103147603 [0,2,0,0,0,0|2,0,0]=4 4186 B11R0.87 CC/C=C\CC(=O)C(C)(O)CC 1458a_100011219770_100103147603 [0,2,0,0,0,0|1,0,0]=3 4187 B11R0.87 CC/C=C\CC(=O)C(F)(F)CC 1458a_100000061896_100103147603 [0,2,0,0,0,0|1,0,0]=3 4188 B11R0.120 CCC(=O)NCC(=O)C(C)CC 1458a_100000194589_100000758301 [0,2,0,0,0,0|2,0,0]=4 4189 B11R0.120 CCC(=O)NCC(=O)N(C)CC 11a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4190 B11R0.120 CCC(=O)NCC(=O)N(C)CC 1626a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4191 B11R0.120 CCC(=O)NCC(=O)N(C)CC 240690a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4192 B11R0.120 CCC(=O)NCC(=O)N(C)CC 527a_100000225621_100000194589 [0,2,0,0,0,0|2,0,0]=4 4193 B11R0.157 CC/C=C/CC(=O)C(CC)CC 1458a_100016274230_100000210505 [0,2,0,0,0,0|1,0,0]=3 4194 B11R0.157 CC/C=C/CC(=O)N(CC)CC 11a_100000724800_100016274230 [0,2,0,0,0,0|1,0,0]=3 4195 B11R0.157 CC/C=C/CC(=O)N(CC)CC 1626a_100000724800_100016274230 [0,2,0,0,0,0|1,0,0]=3 4196 B11R0.157 CC/C=C/CC(=O)N(CC)CC 240690a_100000724800_100016274230 [0,2,0,0,0,0|1,0,0]=3 4197 B11R0.157 CC/C=C/CC(=O)N(CC)CC 527a_100000724800_100016274230 [0,2,0,0,0,0|1,0,0]=3 4198 B11R0.157 CC/C=C\CC(=O)C(CC)CC 1458a_100000211163_100103147603 [0,2,0,0,0,0|1,0,0]=3 4199 B11R0.157 CC/C=C\CC(=O)C(CC)OC 1458a_100000747056_100103147603 [0,2,0,0,0,0|1,0,0]=3 4200 B11R0.157 CC/C=C\CC(=O)C(OC)OC 1458a_100000046285_100103147603 [0,2,0,0,0,0|2,0,0]=4 4201 B11R0.46 C=C(C)CCC(=O)C/C=C/CC 1458a_100016274230_100000730704 [0,2,0,0,0,0|1,0,0]=3 4202 B11R0.46 C=C(C)CCC(=O)C/C=C\CC 1458a_200000688413_100103147603 [0,2,0,0,0,0|1,0,0]=3 4203 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 11a_100000765925_100016274230 [0,2,0,0,0,0|1,0,0]=3 4204 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 1626a_100000765925_100016274230 [0,2,0,0,0,0|1,0,0]=3 4205 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 240690a_100000765925_100016274230 [0,2,0,0,0,0|1,0,0]=3 4206 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 527a_100000765925_100016274230 [0,2,0,0,0,0|1,0,0]=3 4207 B11R0.46 CC/C=C/CC(=O)CC=C(C)C 1458a_100016274230_100000761012 [0,2,0,0,0,0|1,0,1]=4 4208 B11R0.46 CC/C=C/CC(=O)CCC(C)C 1458a_100016274230_100000210312 [0,2,0,0,0,0|1,0,0]=3 4209 B11R0.46 CC/C=C/CC(=O)CCC(C)O 1458a_100016274230_100012276601 [0,2,0,0,0,0|1,0,0]=3 4210 B11R0.46 CC/C=C/CC(=O)NCC(=O)N 11a_100000711301_100016274230 [0,2,0,0,0,0|1,0,1]=4 4211 B11R0.46 CC/C=C/CC(=O)NCC(=O)N 240690a_100000711301_100016274230 [0,2,0,0,0,0|1,0,1]=4 4212 B11R0.46 CC/C=C/CC(=O)NCC(=O)N 527a_100000711301_100016274230 [0,2,0,0,0,0|1,0,1]=4 4213 B11R0.46 CC/C=C/CC(=O)NCC(C)C 11a_100000210953_100016274230 [0,2,0,0,0,0|1,0,0]=3 4214 B11R0.46 CC/C=C/CC(=O)NCC(C)C 1626a_100000210953_100016274230 [0,2,0,0,0,0|1,0,0]=3 4215 B11R0.46 CC/C=C/CC(=O)NCC(C)C 240690a_100000210953_100016274230 [0,2,0,0,0,0|1,0,0]=3 4216 B11R0.46 CC/C=C/CC(=O)NCC(C)C 527a_100000210953_100016274230 [0,2,0,0,0,0|1,0,0]=3 4217 B11R0.46 CC/C=C/CC(=O)NCC(C)O 11a_100000210904_100016274230 [0,2,0,0,0,0|1,0,0]=3 4218 B11R0.46 CC/C=C/CC(=O)NCC(C)O 240690a_100000210904_100016274230 [0,2,0,0,0,0|1,0,0]=3 4219 B11R0.46 CC/C=C/CC(=O)NCC(C)O 527a_100000210904_100016274230 [0,2,0,0,0,0|1,0,0]=3 4220 B11R0.46 CC/C=C/CC(=O)NCC(F)F 11a_100000765723_100016274230 [0,2,0,0,0,0|1,0,0]=3 4221 B11R0.46 CC/C=C/CC(=O)NCC(F)F 1626a_100000765723_100016274230 [0,2,0,0,0,0|1,0,0]=3 4222 B11R0.46 CC/C=C/CC(=O)NCC(F)F 240690a_100000765723_100016274230 [0,2,0,0,0,0|1,0,0]=3 4223 B11R0.46 CC/C=C/CC(=O)NCC(F)F 527a_100000765723_100016274230 [0,2,0,0,0,0|1,0,0]=3 4224 B11R0.46 CC/C=C/CC(=O)NNC(=O)C 22a_100000189765_100016274230 [0,2,0,0,0,0|1,0,1]=4 4225 B11R0.46 CC/C=C/CC(=O)NNC(C)C 22a_100000741168_100016274230 [0,2,0,0,0,0|1,0,0]=3 4226 B11R0.46 CC/C=C\CC(=O)C=CC(C)C 1458a_100016268746_100103147603 [0,2,0,0,0,0|1,0,0]=3 4227 B11R0.46 CC/C=C\CC(=O)CC=C(C)C 1458a_100011220947_100103147603 [0,2,0,0,0,0|1,0,1]=4 4228 B11R0.46 CC/C=C\CC(=O)CCC(=O)N 1458a_100011215257_100103147603 [0,2,0,0,0,0|1,0,1]=4 4229 B11R0.46 CC/C=C\CC(=O)CCC(C)C 1458a_100000181311_100103147603 [0,2,0,0,0,0|1,0,0]=3 4230 B11R0.46 CC/C=C\CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100103147603 [0,2,0,0,0,0|2,0,0]=4 4231 B11R0.46 CC/C=C\CC(=O)CC[S+](C)C 1458a_100009452791_100103147603 [0,2,0,0,0,0|1,0,0]=3 4232 B11R0.46 CC/C=C\CC(=O)CNC(=O)C 1458a_100000194580_100103147603 [0,2,0,0,0,0|1,0,1]=4 4233 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,2,0,0,0,0|0,0,1]=3 4234 B11R0.46 CC/C=C\CC(=O)COC(C)C 1458a_100000745533_100103147603 [0,2,0,0,0,0|0,0,0]=2 4235 B11R0.46 CC/C=C\CC(=O)COC(F)F 1458a_200000719455_100103147603 [0,2,0,0,0,0|1,0,0]=3 4236 B11R0.46 CC/C=C\CC(=O)CSC(=O)C 1458a_100000049016_100103147603 [0,2,0,0,0,0|0,1,1]=4 4237 B11R0.46 CC/C=C\CC(=O)CSC(C)C 1458a_100000241585_100103147603 [0,2,0,0,0,0|0,1,0]=3 4238 B11R0.46 CC/C=C\CC(=O)CSC(F)F 1458a_114828291038_100103147603 [0,2,0,0,0,0|1,1,0]=4 4239 B11R0.46 CCC#CCC(=O)COC(C)C 1458a_100000745533_100009813939 [0,2,0,0,0,0|0,0,2]=4 4240 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,2,0,0,0,0|0,0,2]=4 4241 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,2,0,0,0,0|0,0,2]=4 4242 B11R0.46 CCOCCC(=O)COC(C)C 1458a_100000745533_100011215890 [0,2,0,0,0,0|1,0,1]=4 4243 B11R0.46 CCSCCC(=O)COC(C)C 1458a_100000745533_100000757381 [0,2,0,0,0,0|1,0,1]=4 4244 B11R0.70 CCC(=O)NCC(=O)CCCF 1458a_100000194589_100011934791 [0,2,0,0,0,0|2,0,0]=4 4245 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [0,2,0,0,0,0|2,0,0]=4 4246 B11R0.70 CCC(=O)NCC(=O)CCOC 1458a_100000194589_100000233755 [0,2,0,0,0,0|2,0,0]=4 4247 B11R0.70 CCC(=O)NCC(=O)CCSC 1458a_100000194589_100000751147 [0,2,0,0,0,0|2,0,0]=4 4248 B11R0.70 CCC(=O)NCC(=O)NCCF 11a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 4249 B11R0.70 CCC(=O)NCC(=O)NCCF 11a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 4250 B11R0.70 CCC(=O)NCC(=O)NCCF 1626a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 4251 B11R0.70 CCC(=O)NCC(=O)NCCF 1626a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 4252 B11R0.70 CCC(=O)NCC(=O)NCCF 240690a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 4253 B11R0.70 CCC(=O)NCC(=O)NCCF 240690a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 4254 B11R0.70 CCC(=O)NCC(=O)NCCF 527a_100000724931_100000194589 [0,2,0,0,0,0|2,0,0]=4 4255 B11R0.70 CCC(=O)NCC(=O)NCCF 527a_100000725713_100000210414 [0,2,0,0,0,0|2,0,0]=4 4256 B11R0.70 CCC(=O)NCC(=O)NCCO 240690a_100000210304_100000194589 [0,2,0,0,0,0|2,0,0]=4 4257 B11R0.70 CCC(=O)NCC(=O)NCCO 527a_100000210304_100000194589 [0,2,0,0,0,0|2,0,0]=4 4258 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [0,2,0,0,0,0|2,0,0]=4 4259 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,2,0,0,0,0|1,0,1]=4 4260 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 4261 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 4262 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 4263 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 4264 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 4265 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 4266 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 4267 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 4268 B11R0.70 CCCOC(=O)CNC(C)CC 2230a_100000209981_200011215008 [0,2,0,0,0,0|1,0,1]=4 4269 B11R0.70 CCCOC(=O)COC(C)CC 7a_100000210228_200011215008 [0,2,0,0,0,0|1,0,1]=4 4270 B11R0.70 CCCOC(=O)CSC(C)CC 62a_100000758301_200011215008 [0,2,0,0,0,0|1,0,1]=4 4271 B11R0.70 CCCOC(=O)CSC(C)CC 62a_200011215008_100000758301 [0,2,0,0,0,0|1,0,1]=4 4272 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [0,2,0,0,0,0|1,0,1]=4 4273 B11R0.70 CCNNC(=O)CNC(=O)CC 22a_100000756455_100000194589 [0,2,0,0,0,0|2,0,0]=4 4274 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,2,0,0,0,0|1,0,1]=4 4275 B11R0.70 CCOCC(=O)NNC(=O)CC 22a_100000183195_100000211967 [0,2,0,0,0,0|2,0,0]=4 4276 B11R0.70 CCOCC(=O)NNC(=O)CC 22a_100000216846_100000210414 [0,2,0,0,0,0|2,0,0]=4 4277 B11R0.140 C#CCCCC(=O)C/C=C/CC 1458a_100016274230_100000731252 [0,2,0,0,0,0|1,0,0]=3 4278 B11R0.140 C#CCCCC(=O)C/C=C\CC 1458a_100000690238_100103147603 [0,2,0,0,0,0|1,0,0]=3 4279 B11R0.140 C#CCCNC(=O)C/C=C/CC 11a_100000755551_100016274230 [0,2,0,0,0,0|1,0,0]=3 4280 B11R0.140 C#CCCNC(=O)C/C=C/CC 1626a_100000755551_100016274230 [0,2,0,0,0,0|1,0,0]=3 4281 B11R0.140 C#CCCNC(=O)C/C=C/CC 240690a_100000755551_100016274230 [0,2,0,0,0,0|1,0,0]=3 4282 B11R0.140 C#CCCNC(=O)C/C=C/CC 527a_100000755551_100016274230 [0,2,0,0,0,0|1,0,0]=3 4283 B11R0.140 C#CCOCC(=O)C/C=C\CC 1458a_100011251226_100103147603 [0,2,0,0,0,0|0,0,1]=3 4284 B11R0.140 C/C=C/C=CC(=O)C/C=C\CC 1458a_100000185730_100103147603 [0,2,0,0,0,0|1,0,1]=4 4285 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [0,2,0,0,0,0|0,0,2]=4 4286 B11R0.140 C=CCCCC(=O)C/C=C/CC 1458a_100016274230_100000757094 [0,2,0,0,0,0|1,0,0]=3 4287 B11R0.140 C=CCCCC(=O)C/C=C\CC 1458a_100000766728_100103147603 [0,2,0,0,0,0|1,0,0]=3 4288 B11R0.140 C=CCCNC(=O)C/C=C/CC 11a_100015191253_100016274230 [0,2,0,0,0,0|1,0,0]=3 4289 B11R0.140 C=CCCNC(=O)C/C=C/CC 1626a_100015191253_100016274230 [0,2,0,0,0,0|1,0,0]=3 4290 B11R0.140 C=CCCNC(=O)C/C=C/CC 240690a_100015191253_100016274230 [0,2,0,0,0,0|1,0,0]=3 4291 B11R0.140 C=CCCNC(=O)C/C=C/CC 527a_100015191253_100016274230 [0,2,0,0,0,0|1,0,0]=3 4292 B11R0.140 C=CCNNC(=O)C/C=C/CC 22a_100020588587_100016274230 [0,2,0,0,0,0|1,0,1]=4 4293 B11R0.140 C=CCSCC(=O)C/C=C\CC 1458a_100000230395_100103147603 [0,2,0,0,0,0|0,1,1]=4 4294 B11R0.140 C=COCCC(=O)C/C=C/CC 1458a_100016274230_100000039644 [0,2,0,0,0,0|0,0,2]=4 4295 B11R0.140 CC#CCNC(=O)C/C=C/CC 11a_100000685387_100016274230 [0,2,0,0,0,0|1,0,0]=3 4296 B11R0.140 CC#CCNC(=O)C/C=C/CC 1626a_100000685387_100016274230 [0,2,0,0,0,0|1,0,0]=3 4297 B11R0.140 CC#CCNC(=O)C/C=C/CC 527a_100000685387_100016274230 [0,2,0,0,0,0|1,0,0]=3 4298 B11R0.140 CC/C=C/CC(=O)CC#CCO 1458a_100016274230_200000047223 [0,2,0,0,0,0|1,0,1]=4 4299 B11R0.140 CC/C=C/CC(=O)CCCC#N 1458a_100016274230_100000211468 [0,2,0,0,0,0|1,0,0]=3 4300 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,2,0,0,0,0|1,0,0]=3 4301 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [0,2,0,0,0,0|1,0,0]=3 4302 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,2,0,0,0,0|1,0,0]=3 4303 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [0,2,0,0,0,0|1,0,0]=3 4304 B11R0.140 CC/C=C/CC(=O)CCOCC 1458a_100016274230_100011215890 [0,2,0,0,0,0|0,0,0]=2 4305 B11R0.140 CC/C=C/CC(=O)CCSCC 1458a_100016274230_100000757381 [0,2,0,0,0,0|0,1,0]=3 4306 B11R0.140 CC/C=C/CC(=O)NCCC#N 11a_100000720768_100016274230 [0,2,0,0,0,0|1,0,0]=3 4307 B11R0.140 CC/C=C/CC(=O)NCCC#N 1626a_100000720768_100016274230 [0,2,0,0,0,0|1,0,0]=3 4308 B11R0.140 CC/C=C/CC(=O)NCCC#N 240690a_100000720768_100016274230 [0,2,0,0,0,0|1,0,0]=3 4309 B11R0.140 CC/C=C/CC(=O)NCCC#N 527a_100000720768_100016274230 [0,2,0,0,0,0|1,0,0]=3 4310 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [0,2,0,0,0,0|1,0,0]=3 4311 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [0,2,0,0,0,0|1,0,0]=3 4312 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [0,2,0,0,0,0|1,0,0]=3 4313 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [0,2,0,0,0,0|1,0,0]=3 4314 B11R0.140 CC/C=C/CC(=O)NCCCF 11a_100015189416_100016274230 [0,2,0,0,0,0|1,0,0]=3 4315 B11R0.140 CC/C=C/CC(=O)NCCCF 1626a_100015189416_100016274230 [0,2,0,0,0,0|1,0,0]=3 4316 B11R0.140 CC/C=C/CC(=O)NCCCF 240690a_100015189416_100016274230 [0,2,0,0,0,0|1,0,0]=3 4317 B11R0.140 CC/C=C/CC(=O)NCCCF 527a_100015189416_100016274230 [0,2,0,0,0,0|1,0,0]=3 4318 B11R0.140 CC/C=C/CC(=O)NCCCO 240690a_100000182051_100016274230 [0,2,0,0,0,0|1,0,0]=3 4319 B11R0.140 CC/C=C/CC(=O)NCCCO 527a_100000182051_100016274230 [0,2,0,0,0,0|1,0,0]=3 4320 B11R0.140 CC/C=C/CC(=O)NCCOC 1626a_100000209980_100016274230 [0,2,0,0,0,0|1,0,0]=3 4321 B11R0.140 CC/C=C/CC(=O)NCCOC 240690a_100000209980_100016274230 [0,2,0,0,0,0|1,0,0]=3 4322 B11R0.140 CC/C=C/CC(=O)NCCOC 527a_100000209980_100016274230 [0,2,0,0,0,0|1,0,0]=3 4323 B11R0.140 CC/C=C/CC(=O)NCCSC 11a_100020590264_100016274230 [0,2,0,0,0,0|1,0,0]=3 4324 B11R0.140 CC/C=C/CC(=O)NCCSC 1626a_100020590264_100016274230 [0,2,0,0,0,0|1,0,0]=3 4325 B11R0.140 CC/C=C/CC(=O)NCCSC 240690a_100020590264_100016274230 [0,2,0,0,0,0|1,0,0]=3 4326 B11R0.140 CC/C=C/CC(=O)NCCSC 527a_100020590264_100016274230 [0,2,0,0,0,0|1,0,0]=3 4327 B11R0.140 CC/C=C/CC(=O)NNCCC 22a_100000740057_100016274230 [0,2,0,0,0,0|1,0,0]=3 4328 B11R0.140 CC/C=C/CC(=O)NNCCO 22a_100000210001_100016274230 [0,2,0,0,0,0|1,0,0]=3 4329 B11R0.140 CC/C=C\CC(=O)C#CCCC 1458a_200011218047_100103147603 [0,2,0,0,0,0|1,0,0]=3 4330 B11R0.140 CC/C=C\CC(=O)C/C=C/CC 1458a_100016274230_100103147603 [0,2,0,0,0,0|1,0,0]=3 4331 B11R0.140 CC/C=C\CC(=O)C=CCCC 1458a_100000212230_100103147603 [0,2,0,0,0,0|1,0,0]=3 4332 B11R0.140 CC/C=C\CC(=O)C=CCOC 1458a_100016285016_100103147603 [0,2,0,0,0,0|1,0,0]=3 4333 B11R0.140 CC/C=C\CC(=O)C=COCC 1458a_100016266692_100103147603 [0,2,0,0,0,0|0,0,0]=2 4334 B11R0.140 CC/C=C\CC(=O)CCCC#N 1458a_100000075515_100103147603 [0,2,0,0,0,0|1,0,0]=3 4335 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,2,0,0,0,0|1,0,0]=3 4336 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,2,0,0,0,0|1,0,0]=3 4337 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [0,2,0,0,0,0|1,0,0]=3 4338 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [0,2,0,0,0,0|1,0,0]=3 4339 B11R0.140 CC/C=C\CC(=O)CCN=[N+]=[N-] 1458a_100000688302_100103147603 [0,2,0,0,0,0|2,0,0]=4 4340 B11R0.140 CC/C=C\CC(=O)CCOCC 1458a_100000749530_100103147603 [0,2,0,0,0,0|0,0,0]=2 4341 B11R0.140 CC/C=C\CC(=O)CCSCC 1458a_100000230768_100103147603 [0,2,0,0,0,0|0,1,0]=3 4342 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [0,2,0,0,0,0|0,0,0]=2 4343 B11R0.140 CC/C=C\CC(=O)COCCO 1458a_100000708028_100103147603 [0,2,0,0,0,0|0,0,0]=2 4344 B11R0.140 CC/C=C\CC(=O)CSCC#N 1458a_100000150266_100103147603 [0,2,0,0,0,0|0,1,1]=4 4345 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [0,2,0,0,0,0|0,1,0]=3 4346 B11R0.140 CCC#CCC(=O)C/C=C/CC 1458a_100016274230_100009813939 [0,2,0,0,0,0|1,0,0]=3 4347 B11R0.140 CCC#CCC(=O)C=COCC 1458a_100016266692_100009813939 [0,2,0,0,0,0|0,0,2]=4 4348 B11R0.140 CCC#CCC(=O)CCOCC 1458a_100000749530_100009813939 [0,2,0,0,0,0|0,0,2]=4 4349 B11R0.140 CCC#CCC(=O)COCCC 1458a_100000745993_100009813939 [0,2,0,0,0,0|0,0,2]=4 4350 B11R0.140 CCC#CCC(=O)COCCO 1458a_100000708028_100009813939 [0,2,0,0,0,0|0,0,2]=4 4351 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [0,2,0,0,0,0|0,0,2]=4 4352 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,2,0,0,0,0|0,0,2]=4 4353 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,2,0,0,0,0|0,0,2]=4 4354 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,2,0,0,0,0|0,0,2]=4 4355 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,2,0,0,0,0|0,0,2]=4 4356 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,2,0,0,0,0|0,0,2]=4 4357 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,2,0,0,0,0|0,0,2]=4 4358 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,2,0,0,0,0|0,0,2]=4 4359 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,2,0,0,0,0|0,0,2]=4 4360 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [0,2,0,0,0,0|1,0,1]=4 4361 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [0,2,0,0,0,0|1,0,1]=4 4362 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [0,2,0,0,0,0|1,0,1]=4 4363 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [0,2,0,0,0,0|1,0,1]=4 4364 B11R0.140 CCCOCC(=O)CCSCC 1458a_100000745993_100000757381 [0,2,0,0,0,0|1,0,1]=4 4365 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,2,0,0,0,0|1,0,1]=4 4366 B11R0.140 CCCSCC(=O)CCOCC 1458a_100000217233_100011215890 [0,2,0,0,0,0|1,0,1]=4 4367 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [0,2,0,0,0,0|1,0,1]=4 4368 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [0,2,0,0,0,0|1,0,1]=4 4369 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [0,2,0,0,0,0|1,0,1]=4 4370 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [0,2,0,0,0,0|1,0,1]=4 4371 B11R0.140 CCOCCC(=O)CCOCC 1458a_100000749530_100011215890 [0,2,0,0,0,0|1,0,1]=4 4372 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000230768_100011215890 [0,2,0,0,0,0|1,0,1]=4 4373 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000749530_100000757381 [0,2,0,0,0,0|1,0,1]=4 4374 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,2,0,0,0,0|1,0,1]=4 4375 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,2,0,0,0,0|1,0,1]=4 4376 B11R0.9 C#CC(CC)OCC(=O)OCC 34a_100000758843_100000188475 [0,2,0,0,0,0|1,0,1]=4 4377 B11R0.9 C#CC(CC)OCC(=O)OCC 7a_100000758843_100000188475 [0,2,0,0,0,0|1,0,1]=4 4378 B11R0.9 C=CC(CC)OCC(=O)OCC 34a_100000766422_100000188475 [0,2,0,0,0,0|1,0,1]=4 4379 B11R0.9 C=CC(CC)OCC(=O)OCC 7a_100000766422_100000188475 [0,2,0,0,0,0|1,0,1]=4 4380 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_100000724800_100011206558 [0,2,0,0,0,0|1,0,1]=4 4381 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_200011277716_100000210202 [0,2,0,0,0,0|1,0,1]=4 4382 B11R0.9 CCOC(=O)CCN(CC)CC 269956a_100000042499_100000765890 [0,2,0,0,0,0|1,0,1]=4 4383 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_100000724800_100011206558 [0,2,0,0,0,0|1,0,1]=4 4384 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_200011277716_100000204670 [0,2,0,0,0,0|1,0,1]=4 4385 B11R0.9 CCOC(=O)CCN(CC)CF 269982a_200011277716_100015361967 [0,2,0,0,0,0|1,0,1]=4 4386 B11R0.9 CCOC(=O)CNC(CC)CC 2230a_100000199018_100000188475 [0,2,0,0,0,0|1,0,1]=4 4387 B11R0.9 CCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000188475 [0,2,0,0,0,0|1,0,1]=4 4388 B11R0.9 CCOC(=O)COC(CC)CC 7a_100000688536_100000188475 [0,2,0,0,0,0|1,0,1]=4 4389 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000188475_100000210505 [0,2,0,0,0,0|1,0,1]=4 4390 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000210505_100000188475 [0,2,0,0,0,0|1,0,1]=4 4391 B11R0.170 CCOC(=O)CNC(C)(C)CC 2230a_100000211385_100000188475 [0,2,0,0,0,0|1,0,1]=4 4392 B11R0.170 CCOC(=O)COC(C)(C)CC 7a_100000210230_100000188475 [0,2,0,0,0,0|1,0,1]=4 4393 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000032637_100000188475 [0,2,0,0,0,0|1,0,1]=4 4394 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000188475_100000032637 [0,2,0,0,0,0|1,0,1]=4 4395 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,1,0,0|2,0,0]=4 4396 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,0]=3 4397 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [1,0,0,1,0,0|2,0,0]=4 4398 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|1,0,1]=4 4399 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,1,0,0|1,0,1]=4 4400 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|2,0,0]=4 4401 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 4402 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 4403 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,0]=3 4404 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|2,0,0]=4 4405 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|2,0,0]=4 4406 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,0]=3 4407 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 4408 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|2,0,0]=4 4409 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|2,0,0]=4 4410 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,0]=3 4411 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,0]=3 4412 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [1,0,0,1,0,0|2,0,0]=4 4413 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [1,0,0,1,0,0|2,0,0]=4 4414 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,1]=4 4415 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,1]=4 4416 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|2,0,0]=4 4417 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 4418 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 4419 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 4420 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 4421 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 4422 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 4423 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|1,0,1]=4 4424 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|1,0,1]=4 4425 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 4426 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 4427 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 4428 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [1,0,0,1,0,0|1,0,0]=3 4429 B9R1.100 C/C=C/CC(=O)C1CO1 1458a_100000701028_100102629194 [1,0,0,1,0,0|2,0,0]=4 4430 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [1,0,0,1,0,0|1,0,0]=3 4431 B9R1.100 CC=CCC(=O)C1CO1 1458a_100000701028_100000070051 [1,0,0,1,0,0|2,0,0]=4 4432 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|1,0,1]=4 4433 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [1,0,0,1,0,0|2,0,0]=4 4434 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [1,0,0,1,0,0|2,0,0]=4 4435 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [1,0,0,1,0,0|2,0,0]=4 4436 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [1,0,0,1,0,0|2,0,0]=4 4437 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [1,0,0,1,0,0|2,0,0]=4 4438 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,1]=4 4439 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 4440 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 4441 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,1,0,0|2,0,0]=4 4442 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|2,0,0]=4 4443 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|2,0,0]=4 4444 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|2,0,0]=4 4445 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|0,0,2]=4 4446 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [1,0,0,1,0,0|1,0,1]=4 4447 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [1,0,0,1,0,0|0,0,2]=4 4448 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|0,0,2]=4 4449 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|0,0,2]=4 4450 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|1,0,1]=4 4451 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,0,0,1,0,0|1,0,1]=4 4452 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,0,0,1,0,0|1,0,1]=4 4453 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|1,0,1]=4 4454 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [1,0,0,1,0,0|0,0,2]=4 4455 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [1,0,0,1,0,0|0,0,2]=4 4456 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [1,0,0,1,0,0|0,0,2]=4 4457 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [1,0,0,1,0,0|1,0,1]=4 4458 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [1,0,0,1,0,0|1,0,1]=4 4459 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [1,0,0,1,0,0|1,0,1]=4 4460 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [1,0,0,1,0,0|0,0,2]=4 4461 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|0,0,2]=4 4462 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|0,0,2]=4 4463 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [1,0,0,1,0,0|1,0,1]=4 4464 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [1,0,0,1,0,0|1,0,1]=4 4465 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [1,0,0,1,0,0|1,0,1]=4 4466 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [1,0,0,1,0,0|1,0,1]=4 4467 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|0,0,2]=4 4468 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [1,0,0,1,0,0|1,0,1]=4 4469 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [0,1,0,1,0,0|1,0,1]=4 4470 B11R1.16 CC#CC(=O)C1C=CCCC1 1458a_100000763181_100000751183 [0,1,0,1,0,0|1,0,1]=4 4471 B11R1.16 CC=CC(=O)C1C=CCCC1 1458a_100000210699_100000751183 [0,1,0,1,0,0|1,0,1]=4 4472 B11R1.16 CC=CC(=O)N1CC=CCC1 11a_100000698166_100000210699 [0,1,0,1,0,0|1,0,1]=4 4473 B11R1.16 CC=CC(=O)N1CC=CCC1 1626a_100000698166_100000210699 [0,1,0,1,0,0|1,0,1]=4 4474 B11R1.16 CC=CC(=O)N1CC=CCC1 240690a_100000698166_100000210699 [0,1,0,1,0,0|1,0,1]=4 4475 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,0]=3 4476 B11R1.16 CCCC(=O)N1CC=CCC1 11a_100000698166_100000211992 [0,1,0,1,0,0|1,0,0]=3 4477 B11R1.16 CCCC(=O)N1CC=CCC1 1626a_100000698166_100000211992 [0,1,0,1,0,0|1,0,0]=3 4478 B11R1.16 CCCC(=O)N1CC=CCC1 240690a_100000698166_100000211992 [0,1,0,1,0,0|1,0,0]=3 4479 B11R1.16 CCCC(=O)N1CC=CCC1 527a_100000698166_100000211992 [0,1,0,1,0,0|1,0,0]=3 4480 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,1,0,1,0,0|1,0,0]=3 4481 B11R1.16 CCNC(=O)N1CC=CCC1 2708a_100015525214_100000698166 [0,1,0,1,0,0|1,0,0]=3 4482 B11R1.16 CCNC(=O)N1CC=CCC1 273464a_100015525214_100000698166 [0,1,0,1,0,0|1,0,0]=3 4483 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [0,1,0,1,0,0|1,0,0]=3 4484 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [0,1,0,1,0,0|1,0,0]=3 4485 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [0,1,0,1,0,0|1,0,0]=3 4486 B11R1.16 CNNC(=O)[C@H]1CC=CCC1 22a_100016993582_100009820709 [0,1,0,1,0,0|2,0,0]=4 4487 B11R1.16 COCC(=O)C1C=CCCC1 1458a_100000210968_100000751183 [0,1,0,1,0,0|2,0,0]=4 4488 B11R1.16 COCC(=O)N1CC=CCC1 11a_100000698166_100000210968 [0,1,0,1,0,0|2,0,0]=4 4489 B11R1.16 COCC(=O)N1CC=CCC1 1626a_100000698166_100000210968 [0,1,0,1,0,0|2,0,0]=4 4490 B11R1.16 COCC(=O)N1CC=CCC1 240690a_100000698166_100000210968 [0,1,0,1,0,0|2,0,0]=4 4491 B11R1.16 COCC(=O)N1CC=CCC1 527a_100000698166_100000210968 [0,1,0,1,0,0|2,0,0]=4 4492 B11R1.16 CSCC(=O)C1C=CCCC1 1458a_100000184570_100000751183 [0,1,0,1,0,0|2,0,0]=4 4493 B11R1.16 CSCC(=O)N1CC=CCC1 11a_100000698166_100000184570 [0,1,0,1,0,0|2,0,0]=4 4494 B11R1.16 CSCC(=O)N1CC=CCC1 1626a_100000698166_100000184570 [0,1,0,1,0,0|2,0,0]=4 4495 B11R1.16 CSCC(=O)N1CC=CCC1 240690a_100000698166_100000184570 [0,1,0,1,0,0|2,0,0]=4 4496 B11R1.16 CSCC(=O)N1CC=CCC1 527a_100000698166_100000184570 [0,1,0,1,0,0|2,0,0]=4 4497 B11R1.16 O=C(CCF)[C@H]1CC=CCC1 1458a_100009820709_100011217306 [0,1,0,1,0,0|2,0,0]=4 4498 B11R1.16 O=C(CCO)C1C=CCCC1 1458a_100011216618_100000751183 [0,1,0,1,0,0|2,0,0]=4 4499 B11R1.16 O=C(CCO)N1CC=CCC1 240690a_100000698166_100011216618 [0,1,0,1,0,0|2,0,0]=4 4500 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [0,1,0,1,0,0|2,0,0]=4 4501 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,1,0,1,0,0|0,0,2]=4 4502 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|0,0,2]=4 4503 B11R1.24 CCNN=C1CCNC(=O)C1 4a_100000756455_100011999401 [0,1,0,1,0,0|2,0,0]=4 4504 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,1,0,0|1,0,1]=4 4505 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,1,0,0|1,0,1]=4 4506 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,1,0,0|1,0,1]=4 4507 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,1,0,0|1,0,1]=4 4508 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,1,0,0|1,0,0]=3 4509 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|1,0,0]=3 4510 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,1,0,1,0,0|1,0,0]=3 4511 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,1,0,1,0,0|1,0,0]=3 4512 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,1,0,1,0,0|1,0,0]=3 4513 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,1,0,1,0,0|1,0,0]=3 4514 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,1,0,1,0,0|1,0,0]=3 4515 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,1,0,1,0,0|1,0,0]=3 4516 B11R1.30 CCOC(=O)CN1CC=CC1 269982a_100015195280_100000188475 [0,1,0,1,0,0|0,0,2]=4 4517 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,1,0,1,0,0|0,0,2]=4 4518 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,1,0,1,0,0|0,0,2]=4 4519 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,1,0,1,0,0|1,0,1]=4 4520 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,1,0,1,0,0|1,0,1]=4 4521 B11R1.30 CNNC(=O)CC1=CCCC1 22a_100016993582_100000050221 [0,1,0,1,0,0|2,0,0]=4 4522 B11R1.30 CNNC(=O)CC1C=CCC1 22a_100016993582_100000212241 [0,1,0,1,0,0|2,0,0]=4 4523 B11R1.30 O=C(CCF)CC1=CCCC1 1458a_100000050221_100011217306 [0,1,0,1,0,0|2,0,0]=4 4524 B11R1.30 O=C(CCF)CC1C=CCC1 1458a_100000212241_100011217306 [0,1,0,1,0,0|2,0,0]=4 4525 B11R1.30 O=C(CCO)CC1=CCCC1 1458a_100000050221_100000211926 [0,1,0,1,0,0|2,0,0]=4 4526 B11R1.30 O=C(CCO)CC1C=CCC1 1458a_100000212241_100000211926 [0,1,0,1,0,0|2,0,0]=4 4527 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [0,1,0,1,0,0|1,0,1]=4 4528 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [0,1,0,1,0,0|1,0,1]=4 4529 B11R1.127 CCOc1nc(cs1)SCC 62a_100000210202_100011934640 [0,1,0,1,0,0|2,0,0]=4 4530 B11R1.127 CCOc1nc(cs1)SCC 62a_100011934640_100000210202 [0,1,0,1,0,0|2,0,0]=4 4531 B11R1.180 C/C=C/COC1CCOC1=O 34a_100016270725_100000211211 [0,1,0,1,0,0|0,0,2]=4 4532 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100000211211_100102629194 [0,1,0,1,0,0|0,0,2]=4 4533 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100102629194_100000211211 [0,1,0,1,0,0|0,0,2]=4 4534 B11R1.180 CC=CCSC1CCOC1=O 62a_100000070051_100000211211 [0,1,0,1,0,0|0,0,2]=4 4535 B11R1.180 CC=CCSC1CCOC1=O 62a_100000211211_100000070051 [0,1,0,1,0,0|0,0,2]=4 4536 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|0,0,2]=4 4537 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|0,0,2]=4 4538 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|0,0,2]=4 4539 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|0,0,2]=4 4540 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|0,0,2]=4 4541 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|0,0,2]=4 4542 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,1,0,1,0,0|1,0,1]=4 4543 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,1,0,1,0,0|1,0,1]=4 4544 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,1,0,1,0,0|1,0,1]=4 4545 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,1,0,1,0,0|1,0,1]=4 4546 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,1,0,1,0,0|1,0,1]=4 4547 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,1,0,1,0,0|1,0,1]=4 4548 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,1,0,1,0,0|1,0,1]=4 4549 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,1,0,1,0,0|1,0,1]=4 4550 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,1,0,1,0,0|1,0,1]=4 4551 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,1,0,1,0,0|1,0,1]=4 4552 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,1,0,1,0,0|1,0,1]=4 4553 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|1,0,1]=4 4554 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,1,0,1,0,0|1,0,1]=4 4555 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,1,0,1,0,0|1,0,1]=4 4556 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,1,0,1,0,0|1,0,1]=4 4557 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,1,0,1,0,0|1,0,1]=4 4558 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,1,0,1,0,0|1,0,1]=4 4559 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,1,0,1,0,0|1,0,1]=4 4560 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,1,0,1,0,0|1,0,1]=4 4561 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|1,0,1]=4 4562 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|1,0,1]=4 4563 B11R1.189 CCOc1ccc[n+](c1)CC 34a_100000731997_100000210202 [0,1,0,1,0,0|1,0,1]=4 4564 B11R1.189 CCOc1ccc[n+](c1)CC 7a_100000731997_100000210202 [0,1,0,1,0,0|1,0,1]=4 4565 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [0,1,0,1,0,0|1,0,1]=4 4566 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [0,1,0,1,0,0|1,0,1]=4 4567 B11R1.189 CCOc1cncc(c1)CC 34a_200009861530_100000210202 [0,1,0,1,0,0|1,0,1]=4 4568 B11R1.189 CCOc1cncc(c1)CC 7a_200009861530_100000210202 [0,1,0,1,0,0|1,0,1]=4 4569 B11R1.199 CC#CC(=O)C1CCOC1=O 1458a_100000763181_100000211211 [0,1,0,1,0,0|0,0,2]=4 4570 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [0,1,0,1,0,0|1,0,1]=4 4571 B11R1.199 CC=CC(=O)C1CCOC1=O 1458a_100000210699_100000211211 [0,1,0,1,0,0|0,0,1]=3 4572 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|1,0,1]=4 4573 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,1,0,1,0,0|0,0,1]=3 4574 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,1,0,1,0,0|1,0,1]=4 4575 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,1,0,1,0,0|1,0,1]=4 4576 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,1,0,1,0,0|0,0,2]=4 4577 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,1,0,1,0,0|0,0,2]=4 4578 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,1,0,1,0,0|0,0,2]=4 4579 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,1,0,1,0,0|0,0,2]=4 4580 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,1,0,1,0,0|1,0,1]=4 4581 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,1,0,1,0,0|1,0,1]=4 4582 B11R1.199 COCC(=O)C1CCOC1=O 1458a_100000210968_100000211211 [0,1,0,1,0,0|1,0,1]=4 4583 B11R1.199 CSCC(=O)C1CCOC1=O 1458a_100000184570_100000211211 [0,1,0,1,0,0|1,0,1]=4 4584 B11R1.199 O=C(C=CBr)C1CCOC1=O 1458a_100016273825_100000211211 [0,1,0,1,0,0|1,0,1]=4 4585 B11R1.199 O=C(C=CCl)C1CCOC1=O 1458a_200016279998_100000211211 [0,1,0,1,0,0|1,0,1]=4 4586 B11R1.199 O=C(C=CI)C1CCOC1=O 1458a_100016256311_100000211211 [0,1,0,1,0,0|1,0,1]=4 4587 B11R1.199 O=C(CCO)C1CCOC1=O 1458a_100011216618_100000211211 [0,1,0,1,0,0|1,0,1]=4 4588 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|1,0,1]=4 4589 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|1,0,1]=4 4590 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|1,0,1]=4 4591 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,1,0,1,0,0|1,0,1]=4 4592 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,1,0,1,0,0|1,0,1]=4 4593 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,1,0,1,0,0|1,0,1]=4 4594 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,1,0,1,0,0|0,0,2]=4 4595 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,1,0,1,0,0|0,0,2]=4 4596 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,1,0,1,0,0|0,0,2]=4 4597 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [0,1,0,1,0,0|1,0,1]=4 4598 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,1,0,1,0,0|0,0,2]=4 4599 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [0,1,0,1,0,0|1,0,1]=4 4600 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,1,0,1,0,0|0,0,2]=4 4601 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [0,1,0,1,0,0|1,0,1]=4 4602 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,1,0,1,0,0|0,0,2]=4 4603 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,1,0,1,0,0|0,0,2]=4 4604 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,1,0,1,0,0|0,0,2]=4 4605 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,1,0,1,0,0|0,0,2]=4 4606 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,1,0,1,0,0|0,0,2]=4 4607 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,1,0,1,0,0|1,0,1]=4 4608 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,1,0,1,0,0|0,0,2]=4 4609 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,1,0,1,0,0|0,0,2]=4 4610 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,1,0,1,0,0|1,0,1]=4 4611 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,1,0,1,0,0|1,0,1]=4 4612 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [0,1,0,1,0,0|1,0,1]=4 4613 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [0,1,0,1,0,0|1,0,1]=4 4614 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,1,0,1,0,0|1,0,1]=4 4615 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,1,0,1,0,0|1,0,1]=4 4616 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,1,0,1,0,0|0,0,2]=4 4617 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,1,0,1,0,0|0,0,2]=4 4618 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [0,1,0,1,0,0|1,0,0]=3 4619 B11R1.356 CC/C=C\CCC(=O)C1CO1 1458a_100000701028_100015370543 [0,1,0,1,0,0|2,0,0]=4 4620 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,1,0,1,0,0|1,0,1]=4 4621 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,1,0,1,0,0|1,0,1]=4 4622 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,1,0,1,0,0|1,0,1]=4 4623 B11R1.201 CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000188475 [0,1,0,1,0,0|1,0,1]=4 4624 B11R1.201 CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000188475 [0,1,0,1,0,0|1,0,1]=4 4625 B11R1.201 CCOC(=O)CN1CC(C1)F 34a_100000690557_100000188475 [0,1,0,1,0,0|1,0,1]=4 4626 B11R1.201 CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000188475 [0,1,0,1,0,0|1,0,1]=4 4627 B11R1.334 CC=CC(=O)CC(=O)C1CC1 1458a_100000210699_100000746382 [0,1,0,1,0,0|1,0,1]=4 4628 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,1,0,1,0,0|1,0,1]=4 4629 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,1,0,1,0,0|1,0,1]=4 4630 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,1,0,1,0,0|1,0,1]=4 4631 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,1,0,1,0,0|0,0,1]=3 4632 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,1,0,1,0,0|1,0,1]=4 4633 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,1,0,1,0,0|1,0,1]=4 4634 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,1,0,1,0,0|1,0,1]=4 4635 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,1,0,1,0,0|1,0,1]=4 4636 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,1,0,1,0,0|1,0,1]=4 4637 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,1,0,1,0,0|2,0,0]=4 4638 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,1,0,0|2,0,0]=4 4639 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,1,0,1,0,0|2,0,0]=4 4640 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,1,0,1,0,0|2,0,0]=4 4641 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,1,0,1,0,0|2,0,0]=4 4642 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,1,0,1,0,0|2,0,0]=4 4643 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,1,0,1,0,0|1,0,1]=4 4644 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,1,0,1,0,0|1,0,1]=4 4645 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,1,0,1,0,0|1,0,1]=4 4646 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,1,0,1,0,0|1,0,1]=4 4647 B11R1.90 CC(Br)COC1CCOC1=O 34a_100012180447_100000211211 [0,1,0,1,0,0|1,0,1]=4 4648 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,1,0,1,0,0|1,0,1]=4 4649 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,1,0,1,0,0|1,0,1]=4 4650 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,1,0,1,0,0|1,0,1]=4 4651 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,1,0,1,0,0|1,0,1]=4 4652 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,1,0,1,0,0|1,0,1]=4 4653 B11R1.90 CC(F)COC1CCOC1=O 34a_100015925927_100000211211 [0,1,0,1,0,0|1,0,1]=4 4654 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,1,0,1,0,0|1,0,1]=4 4655 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,1,0,1,0,0|1,0,1]=4 4656 B11R1.90 CC(O)CSC1CCOC1=O 62a_100000211211_100011218427 [0,1,0,1,0,0|1,0,1]=4 4657 B11R1.90 CC(O)CSC1CCOC1=O 62a_100011218427_100000211211 [0,1,0,1,0,0|1,0,1]=4 4658 B11R1.90 C[C@@H](Cl)COC1CCOC1=O 34a_100016084084_100000211211 [0,1,0,1,0,0|1,0,1]=4 4659 B11R1.90 C[C@@H](N)COC1CCOC1=O 34a_100000737577_100000211211 [0,1,0,1,0,0|1,0,1]=4 4660 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100000211211_100009817552 [0,1,0,1,0,0|1,0,1]=4 4661 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100009817552_100000211211 [0,1,0,1,0,0|1,0,1]=4 4662 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,1,0,1,0,0|1,0,1]=4 4663 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,1,0,1,0,0|1,0,1]=4 4664 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,1,0,1,0,0|1,0,1]=4 4665 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,1,0,1,0,0|1,0,1]=4 4666 B11R1.27 CC/C=C/Cc1nc(no1)C 270196a_100000212224_100016274230 [0,1,0,1,0,0|1,0,1]=4 4667 B11R1.301 CC/C=C/CC(=O)CC1CC1 1458a_100016274230_100000742324 [0,1,0,1,0,0|1,0,0]=3 4668 B11R1.301 CC/C=C/CC(=O)CC1CO1 1458a_100016274230_100011216344 [0,1,0,1,0,0|1,0,0]=3 4669 B11R1.301 CC/C=C/CC(=O)CC1CS1 1458a_100016274230_100000031435 [0,1,0,1,0,0|1,0,0]=3 4670 B11R1.301 CC/C=C/CC(=O)C[C@@H]1CO1 1458a_100016274230_100000745022 [0,1,0,1,0,0|1,0,0]=3 4671 B11R1.301 CC/C=C/CC(=O)NC1CC1 1626a_100000212008_100016274230 [0,1,0,1,0,0|1,0,0]=3 4672 B11R1.301 CC/C=C/CC(=O)NC1CC1 240690a_100000212008_100016274230 [0,1,0,1,0,0|1,0,0]=3 4673 B11R1.301 CC/C=C/CC(=O)NC1CC1 527a_100000212008_100016274230 [0,1,0,1,0,0|1,0,0]=3 4674 B11R1.301 CC/C=C\CC(=O)CC1CC1 1458a_100000738066_100103147603 [0,1,0,1,0,0|1,0,0]=3 4675 B11R1.484 CC(C)OC(=O)CN1CCC1 269982a_100000754969_100011215430 [0,1,0,1,0,0|1,0,1]=4 4676 B11R1.485 CC(C)OC(=O)CNC1CC1 34a_100000212008_100011215430 [0,1,0,1,0,0|1,0,1]=4 4677 B11R1.485 CC(C)OC(=O)CSC1CC1 62a_100011215430_100000211595 [0,1,0,1,0,0|1,0,1]=4 4678 B11R1.1034 CC/C=C\CC(=O)C1CC1C 1458a_100000211227_100103147603 [0,1,0,1,0,0|1,0,0]=3 4679 B11R1.1034 CC/C=C\CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100103147603 [0,1,0,1,0,0|1,0,0]=3 4680 B11R1.13 CCOc1cccn(c1=O)C 34a_100000117616_100000210202 [0,1,0,1,0,0|1,0,1]=4 4681 B11R1.13 CCOc1cccn(c1=O)C 7a_100000117616_100000210202 [0,1,0,1,0,0|1,0,1]=4 4682 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,1,0,1,0,0|0,0,2]=4 4683 B11R1.29 CCOCC(=O)C1CCOC1 1458a_100000211967_100000690089 [0,1,0,1,0,0|1,0,1]=4 4684 B11R1.349 CCOC(=O)C(C)N1CCC1 269982a_100000754969_100011216346 [0,1,0,1,0,0|1,0,1]=4 4685 B11R1.349 CCOC(=O)C(F)N1CCC1 269982a_100000754969_100000760018 [0,1,0,1,0,0|1,0,1]=4 4686 B11R1.351 CCOC(=O)C(C)NC1CC1 34a_100000212008_100011216346 [0,1,0,1,0,0|1,0,1]=4 4687 B11R1.351 CCOC(=O)C(C)SC1CC1 62a_100011216346_100000211595 [0,1,0,1,0,0|1,0,1]=4 4688 B11R1.351 CCOC(=O)C(F)NC1CC1 34a_100000212008_100000760018 [0,1,0,1,0,0|1,0,1]=4 4689 B11R1.351 CCOC(=O)C(F)SC1CC1 62a_100000760018_100000211595 [0,1,0,1,0,0|1,0,1]=4 4690 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [0,1,0,1,0,0|1,0,1]=4 4691 B11R1.28 CC/C=C\CN1CCCOC1 2230a_100000131196_100103147603 [0,1,0,1,0,0|2,0,0]=4 4692 B11R1.28 CC/C=C\CN1CCCOC1 269982a_100000131196_100103147603 [0,1,0,1,0,0|2,0,0]=4 4693 B11R1.28 CC/C=C\CN1CCCOC1 34a_100000131196_100103147603 [0,1,0,1,0,0|2,0,0]=4 4694 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [0,1,0,1,0,0|1,0,1]=4 4695 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [0,1,0,1,0,0|1,0,1]=4 4696 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,1,0,0|1,0,1]=4 4697 B11R1.23 CCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4698 B11R1.23 CCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4699 B11R1.23 CCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4700 B11R1.23 CCC(=O)N1CCNC(=O)C1 527a_100000184651_100000210414 [0,1,0,1,0,0|2,0,0]=4 4701 B11R1.23 CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 4702 B11R1.23 CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 4703 B11R1.23 CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210414 [0,1,0,1,0,0|1,0,0]=3 4704 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,1,0,1,0,0|1,0,1]=4 4705 B11R1.23 CNC(=O)N1CCOC(=O)C1 2708a_100102657272_100000131268 [0,1,0,1,0,0|2,0,0]=4 4706 B11R1.23 O=C1CN(CCO1)C(=O)CO 240690a_100000131268_100000210174 [0,1,0,1,0,0|2,0,0]=4 4707 B11R1.23 O=C1CN(CCO1)C(=O)CO 527a_100000131268_100000210174 [0,1,0,1,0,0|2,0,0]=4 4708 B11R1.299 CC/C=C/CC(=O)C1CCC1 1458a_100016274230_100000749161 [0,1,0,1,0,0|1,0,0]=3 4709 B11R1.299 CC/C=C/CC(=O)C1COC1 1458a_100016274230_100000687716 [0,1,0,1,0,0|1,0,0]=3 4710 B11R1.299 CC/C=C/CC(=O)N1CCC1 11a_100000754969_100016274230 [0,1,0,1,0,0|1,0,0]=3 4711 B11R1.299 CC/C=C/CC(=O)N1CCC1 240690a_100000754969_100016274230 [0,1,0,1,0,0|1,0,0]=3 4712 B11R1.299 CC/C=C/CC(=O)N1CCC1 527a_100000754969_100016274230 [0,1,0,1,0,0|1,0,0]=3 4713 B11R1.299 CC/C=C\CC(=O)C1CCC1 1458a_100000209988_100103147603 [0,1,0,1,0,0|1,0,0]=3 4714 B11R1.299 CC/C=C\CC(=O)C1CCO1 1458a_100000089072_100103147603 [0,1,0,1,0,0|0,0,0]=2 4715 B11R1.299 CC/C=C\CC(=O)C1COC1 1458a_100000758290_100103147603 [0,1,0,1,0,0|1,0,0]=3 4716 B11R1.299 CCC#CCC(=O)C1CCO1 1458a_100000089072_100009813939 [0,1,0,1,0,0|0,0,2]=4 4717 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|0,0,2]=4 4718 B11R1.299 CCOCCC(=O)C1CCO1 1458a_100000089072_100011215890 [0,1,0,1,0,0|1,0,1]=4 4719 B11R1.299 CCSCCC(=O)C1CCO1 1458a_100000089072_100000757381 [0,1,0,1,0,0|1,0,1]=4 4720 B11R1.300 CC/C=C\CC(=O)C1(CC1)C 1458a_100000756474_100103147603 [0,1,0,1,0,0|1,0,0]=3 4721 B11R1.300 CC/C=C\CC(=O)C1(CC1)F 1458a_100000055089_100103147603 [0,1,0,1,0,0|1,0,0]=3 4722 B11R1.300 CC/C=C\CC(=O)C1(CC1)O 1458a_100000241761_100103147603 [0,1,0,1,0,0|1,0,0]=3 4723 B11R1.284 CCCOC(=O)CN1CCC1 269982a_100000754969_200011215008 [0,1,0,1,0,0|1,0,1]=4 4724 B11R1.284 CCOCC(=O)CC1CCC1 1458a_100000211967_100000763275 [0,1,0,1,0,0|0,0,2]=4 4725 B11R1.284 CCOCC(=O)CC1CCO1 1458a_100000211967_100000103362 [0,1,0,1,0,0|1,0,1]=4 4726 B11R1.285 CCCOC(=O)CNC1CC1 34a_100000212008_200011215008 [0,1,0,1,0,0|1,0,1]=4 4727 B11R1.285 CCCOC(=O)CSC1CC1 62a_200011215008_100000211595 [0,1,0,1,0,0|1,0,1]=4 4728 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [0,1,0,1,0,0|0,0,2]=4 4729 B11R1.900 CCOCC1(CC=CCC1)C 34a_200000074738_100000210202 [0,1,0,1,0,0|1,0,1]=4 4730 B11R1.228 CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210202 [0,1,0,1,0,0|1,0,1]=4 4731 B11R1.228 CCC(=O)NC1CCNC1=O 11a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 4732 B11R1.228 CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 4733 B11R1.228 CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 4734 B11R1.228 CCC(=O)NC1CCNC1=O 527a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 4735 B11R1.228 CCC(=O)NC1CCSC1=O 11a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 4736 B11R1.228 CCC(=O)NC1CCSC1=O 1626a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 4737 B11R1.228 CCC(=O)NC1CCSC1=O 240690a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 4738 B11R1.228 CCC(=O)NC1CCSC1=O 527a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 4739 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,1,0,1,0,0|1,0,1]=4 4740 B11R1.228 CCC(C)OC1CCOC1=O 7a_100000210228_100000211211 [0,1,0,1,0,0|1,0,1]=4 4741 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000211211_100000758301 [0,1,0,1,0,0|1,0,1]=4 4742 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000758301_100000211211 [0,1,0,1,0,0|1,0,1]=4 4743 B11R1.338 CCOC(=O)CNC1(CC1)C 2230a_100000757604_100000188475 [0,1,0,1,0,0|1,0,1]=4 4744 B11R1.338 CCOC(=O)COC1(CC1)C 7a_100011725673_100000188475 [0,1,0,1,0,0|1,0,1]=4 4745 B11R2.248 CCOC1CC2C=CC1C2 34a_100000043678_100000210202 [0,0,0,2,0,0|1,0,1]=4 4746 B11R2.115 O=C1OCCC1NC2CC2 34a_100000212008_100000211211 [0,0,0,2,0,0|1,0,1]=4 4747 B11R2.115 O=C1OCCC1SC2CC2 62a_100000211211_100000211595 [0,0,0,2,0,0|1,0,1]=4 4748 B11R2.459 O=C1OCCC1N2CCC2 269982a_100000754969_100000211211 [0,0,0,2,0,0|1,0,1]=4