0 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,0,0,0,0,0|1,0,3]=4 1 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,0,0,0,0,0|1,0,3]=4 2 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,0,0,0,0,0|1,0,3]=4 3 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,0,0,0,0,0|1,0,3]=4 4 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,0,0,0,0,0|1,0,3]=4 5 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,0,0,0,0,0|1,0,3]=4 6 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,0,0,0,0,0|1,0,3]=4 7 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,0,0,0,0,0|1,0,3]=4 8 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,0,0,0,0,0|1,0,3]=4 9 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,0,0,0,0,0|1,0,3]=4 10 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,0,0,0,0,0|1,0,3]=4 11 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,0,0,0,0,0|1,0,3]=4 12 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,0,0,0,0,0|1,0,3]=4 13 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,0,0,0,0,0|1,0,3]=4 14 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,0,0,0,0,0|1,0,3]=4 15 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,0,0,0,0,0|1,0,3]=4 16 B12R0.1 CC#CC(=O)CC#CCCCCC 1458a_100000763181_100009816472 [0,0,0,0,0,0|1,0,3]=4 17 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,0,0,0,0,0|1,0,3]=4 18 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,0,0,0,0,0|1,0,3]=4 19 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,0,0,0,0,0|1,0,3]=4 20 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,0,0,0,0,0|1,0,3]=4 21 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,0,0,0,0,0|1,0,3]=4 22 B12R0.1 CC=CC(=O)CC#CCCCCC 1458a_100000210699_100009816472 [0,0,0,0,0,0|1,0,3]=4 23 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,0,0,0,0,0|1,0,3]=4 24 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,0,0,0,0,0|2,0,2]=4 25 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,0,0,0,0,0|2,0,2]=4 26 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,0,0,0,0,0|1,0,3]=4 28 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,0,0,0,0,0|1,0,3]=4 29 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,0,0,0,0,0|1,0,3]=4 30 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,0,0,0,0,0|1,0,3]=4 31 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,0,0,0,0,0|1,0,3]=4 32 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,0,0,0,0,0|1,0,3]=4 33 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,0,0,0,0,0|1,0,3]=4 34 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,0,0,0,0,0|2,0,2]=4 35 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,0,0,0,0,0|2,0,2]=4 36 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,0,0,0,0,0|2,0,2]=4 37 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,0,0,0,0,0|3,0,1]=4 38 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,0,0,0,0,0|3,0,1]=4 39 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,0,0,0,0,0|3,0,1]=4 40 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,0,0,0,0,0|3,0,1]=4 41 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,0,0,0,0,0|3,0,1]=4 42 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,0,0,0,0,0|3,0,1]=4 43 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,0,0,0,0,0|3,0,1]=4 44 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,0,0,0,0,0|3,0,1]=4 45 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,0,0,0,0,0|3,0,1]=4 46 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,0,0,0,0,0|3,0,1]=4 47 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,0,0,0,0,0|3,0,1]=4 48 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,0,0,0,0,0|3,0,1]=4 49 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,0,0,0,0,0|3,0,1]=4 50 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,0,0,0,0,0|3,0,1]=4 51 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,0,0,0,0,0|3,0,1]=4 52 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,0,0,0,0,0|3,0,1]=4 53 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,0,0,0,0,0|3,0,1]=4 54 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,0,0,0,0,0|3,0,1]=4 55 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,0,0,0,0,0|3,0,1]=4 56 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,0,0,0,0,0|3,0,1]=4 58 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,0,0,0,0,0|1,0,3]=4 60 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,0,0,0,0,0|1,0,3]=4 61 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,0,0,0,0,0|1,0,3]=4 62 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,0,0,0,0,0|1,0,2]=3 63 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,0,0,0,0,0|2,0,2]=4 64 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,0,0,0,0,0|2,0,2]=4 65 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,0,0,0,0,0|2,0,2]=4 66 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,0,0,0,0,0|3,0,1]=4 67 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,0,0,0,0,0|1,0,2]=3 68 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,0,0,0,0,0|2,0,2]=4 69 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,0,0,0,0,0|2,0,2]=4 70 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,0,0,0,0,0|1,0,2]=3 71 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,0,0,0,0,0|1,0,2]=3 72 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,0,0,0,0,0|2,0,2]=4 73 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,0,0,0,0,0|1,0,2]=3 74 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,0,0,0,0,0|1,0,2]=3 75 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,0,0,0,0,0|2,0,2]=4 76 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,0,0,0,0,0|2,0,2]=4 77 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,0,0,0,0,0|2,0,2]=4 78 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,0,0,0,0,0|2,0,2]=4 79 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,0,0,0,0,0|2,0,2]=4 80 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,0,0,0,0,0|1,0,2]=3 81 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,0,0,0,0,0|1,0,2]=3 82 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,0,0,0,0,0|1,0,2]=3 83 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,0,0,0,0,0|2,0,2]=4 84 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,0,0,0,0,0|1,0,3]=4 85 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,0,0,0,0,0|1,0,3]=4 86 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,0,0,0,0,0|2,0,1]=3 87 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,0,0,0,0,0|2,0,1]=3 88 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,0,0,0,0,0|2,0,1]=3 89 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,0,0,0,0,0|2,0,1]=3 90 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,0,0,0,0,0|3,0,1]=4 91 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,0,0,0,0,0|3,0,1]=4 92 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,0,0,0,0,0|3,0,1]=4 93 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,0,0,0,0,0|3,0,1]=4 94 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,0,0,0,0,0|3,0,1]=4 95 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,0,0,0,0,0|3,0,1]=4 96 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,0,0,0,0,0|3,0,1]=4 97 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,0,0,0,0,0|3,0,1]=4 98 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,0,0,0,0,0|3,0,1]=4 99 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,0,0,0,0,0|2,0,1]=3 100 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,0,0,0,0,0|2,0,1]=3 101 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,0,0,0,0,0|2,0,1]=3 102 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,0,0,0,0,0|2,0,1]=3 103 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,0,0,0,0,0|2,0,1]=3 104 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,0,0,0,0,0|2,0,1]=3 105 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,0,0,0,0,0|3,0,1]=4 106 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,0,0,0,0,0|3,0,1]=4 107 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,0,0,0,0,0|3,0,1]=4 108 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,0,0,0,0,0|2,0,1]=3 109 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,0,0,0,0,0|2,0,1]=3 110 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,0,0,0,0,0|2,0,1]=3 111 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,0,0,0,0,0|3,0,1]=4 112 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,0,0,0,0,0|1,0,1]=2 113 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,0,0,0,0,0|2,0,1]=3 114 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,0,0,0,0,0|2,0,1]=3 115 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,0,0,0,0,0|2,0,1]=3 116 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,0,0,0,0,0|3,0,1]=4 117 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,0,0,0,0,0|3,0,1]=4 118 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,0,0,0,0,0|1,0,1]=2 119 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,0,0,0,0,0|1,0,1]=2 120 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,0,0,0,0,0|2,0,1]=3 121 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,0,0,0,0,0|2,0,1]=3 122 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,0,0,0,0,0|2,0,1]=3 123 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,0,0,0,0,0|2,0,1]=3 124 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,0,0,0,0,0|3,0,1]=4 125 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,0,0,0,0,0|3,0,1]=4 126 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,0,0,0,0,0|1,0,1]=2 127 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,0,0,0,0,0|1,0,1]=2 128 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,0,0,0,0,0|2,0,2]=4 129 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,0,0,0,0,0|2,0,2]=4 130 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,0,0,0,0,0|1,0,2]=3 131 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,0,0,0,0,0|3,0,1]=4 132 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,0,0,0,0,0|2,0,1]=3 133 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,0,0,0,0,0|2,0,2]=4 134 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,0,0,0,0,0|1,0,2]=3 135 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,0,0,0,0,0|1,0,2]=3 136 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,0,0,0,0,0|3,0,1]=4 137 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,0,0,0,0,0|2,0,2]=4 138 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,0,0,0,0,0|2,0,2]=4 139 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,0,0,0,0,0|1,0,2]=3 140 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,0,0,0,0,0|1,0,2]=3 141 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,0,0,0,0,0|3,0,1]=4 142 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,0,0,0,0,0|2,0,1]=3 143 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,0,0,0,0,0|1,0,2]=3 144 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,0,0,0,0,0|1,0,2]=3 145 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,0,0,0,0,0|1,0,2]=3 146 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,0,0,0,0,0|1,0,2]=3 147 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,0,0,0,0,0|2,0,1]=3 148 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [0,0,0,0,0,0|2,0,2]=4 149 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,0,0,0,0,0|1,0,2]=3 150 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,0,0,0,0,0|1,0,2]=3 151 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,0,0,0,0,0|1,0,2]=3 152 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,0,0,0,0,0|1,0,2]=3 153 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,0,0,0,0,0|1,0,2]=3 154 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,0,0,0,0,0|2,0,1]=3 155 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,0,0,0,0,0|2,0,1]=3 156 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,0,0,0,0,0|3,0,1]=4 157 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,0,0,0,0,0|3,0,1]=4 158 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,0,0,0,0,0|3,0,1]=4 159 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,0,0,0,0,0|3,0,1]=4 160 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,0,0,0,0,0|3,0,1]=4 161 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,0,0,0,0,0|2,0,1]=3 162 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,0,0,0,0,0|2,0,1]=3 163 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,0,0,0,0,0|1,0,2]=3 164 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,0,0,0,0,0|1,0,2]=3 165 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,0,0,0,0,0|1,0,2]=3 166 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,0,0,0,0,0|1,0,2]=3 167 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,0,0,0,0,0|3,0,1]=4 168 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,0,0,0,0,0|3,0,1]=4 169 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,0,0,0,0,0|3,0,1]=4 170 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,0,0,0,0,0|3,0,1]=4 171 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,0,0,0,0,0|3,0,1]=4 172 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,0,0,0,0,0|3,0,1]=4 173 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,0,0,0,0,0|3,0,1]=4 174 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,0,0,0,0,0|3,0,1]=4 175 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,0,0,0,0,0|3,0,1]=4 176 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,0,0,0,0,0|3,0,1]=4 177 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,0,0,0,0,0|2,0,1]=3 178 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,0,0,0,0,0|1,0,2]=3 179 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,0,0,0,0,0|3,0,1]=4 180 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,0,0,0,0,0|3,0,1]=4 181 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,0,0,0,0,0|3,0,1]=4 182 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,0,0,0,0,0|3,0,1]=4 183 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,0,0,0,0,0|3,0,1]=4 184 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,0,0,0,0,0|3,0,1]=4 185 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,0,0,0,0,0|3,0,1]=4 186 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,0,0,0,0,0|3,0,1]=4 187 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,0,0,0,0,0|3,0,1]=4 188 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,0,0,0,0,0|3,0,1]=4 189 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,0,0,0,0,0|3,0,1]=4 190 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,0,0,0,0,0|3,0,1]=4 191 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,0,0,0,0,0|3,0,1]=4 192 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,0,0,0,0,0|2,0,1]=3 193 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,0,0,0,0,0|2,0,1]=3 194 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,0,0,0,0,0|3,0,1]=4 195 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,0,0,0,0,0|3,0,1]=4 196 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,0,0,0,0,0|3,0,1]=4 197 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,0,0,0,0,0|2,0,1]=3 198 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,0,0,0,0,0|2,0,1]=3 199 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,0,0,0,0,0|2,0,1]=3 200 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,0,0,0,0,0|3,0,1]=4 201 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,0,0,0,0,0|3,0,1]=4 202 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,0,0,0,0,0|3,0,1]=4 203 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,0,0,0,0,0|3,0,1]=4 204 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,0,0,0,0,0|2,0,1]=3 205 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,0,0,0,0,0|2,0,1]=3 206 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,0,0,0,0,0|2,0,1]=3 207 B12R0.1 CCCSCC=NNC(=O)OCC 62a_100000210303_100015372823 [0,0,0,0,0,0|3,0,1]=4 208 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,0,0,0,0,0|1,0,2]=3 209 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,0,0,0,0,0|1,0,2]=3 210 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,0,0,0,0,0|3,0,1]=4 211 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,0,0,0,0,0|3,0,1]=4 212 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,0,0,0,0,0|2,0,1]=3 213 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,0,0,0,0,0|3,0,1]=4 214 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,0,0,0,0,0|3,0,1]=4 215 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,0,0,0,0,0|3,0,1]=4 216 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,0,0,0,0,0|2,0,1]=3 217 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,0,0,0,0,0|2,0,1]=3 218 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,0,0,0,0,0|2,0,1]=3 219 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,0,0,0,0,0|2,0,1]=3 220 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,0,0,0,0,0|2,0,2]=4 221 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,0,0,0,0,0|3,0,1]=4 222 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,0,0,0,0,0|3,0,1]=4 223 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,0,0,0,0,0|3,0,1]=4 224 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,0,0,0,0,0|3,0,1]=4 225 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,0,0,0,0,0|3,0,1]=4 226 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,0,0,0,0,0|3,0,1]=4 227 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,0,0,0,0,0|3,0,1]=4 228 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,0,0,0,0,0|3,0,1]=4 229 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,0,0,0,0,0|3,0,1]=4 230 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,0,0,0,0,0|3,0,1]=4 231 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,0,0,0,0,0|3,0,1]=4 232 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,0,0,0,0,0|3,0,1]=4 233 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,0,0,0,0,0|3,0,1]=4 234 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,0,0,0,0,0|3,0,1]=4 235 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,0,0,0,0,0|3,0,1]=4 236 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,0,0,0,0,0|3,0,1]=4 237 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,0,0,0,0,0|3,0,1]=4 238 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,0,0,0,0,0|3,0,1]=4 239 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,0,0,0,0,0|3,0,1]=4 240 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,0,0,0,0,0|3,0,1]=4 241 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,0,0,0,0,0|3,0,1]=4 242 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,0,0,0,0,0|3,0,1]=4 243 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,0,0,0,0,0|3,0,1]=4 244 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,0,0,0,0,0|3,0,1]=4 245 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,0,0,0,0,0|3,0,1]=4 246 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,0,0,0,0,0|3,0,1]=4 247 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,0,0,0,0,0|3,0,1]=4 248 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,0,0,0,0,0|3,0,1]=4 249 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,0,0,0,0,0|3,0,1]=4 250 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,0,0,0,0,0|3,0,1]=4 251 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,0,0,0,0,0|3,0,1]=4 252 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,0,0,0,0,0|3,0,1]=4 253 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,0,0,0,0,0|3,0,1]=4 254 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,0,0,0,0,0|3,0,1]=4 255 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,0,0,0,0,0|3,0,1]=4 256 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,0,0,0,0,0|3,0,1]=4 257 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,0,0,0,0,0|3,0,1]=4 258 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,0,0,0,0,0|3,0,1]=4 259 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,0,0,0,0,0|3,0,1]=4 260 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,0,0,0,0,0|3,0,1]=4 261 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,0,0,0,0,0|3,0,1]=4 262 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,0,0,0,0,0|1,0,2]=3 263 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,0,0,0,0,0|2,0,1]=3 264 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,0,0,0,0,0|2,0,2]=4 265 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,0,0,0,0,0|2,0,2]=4 266 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,0,0,0,0,0|2,0,2]=4 267 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,0,0,0,0,0|2,0,2]=4 268 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,0,0,0,0,0|2,0,2]=4 269 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,0,0,0,0,0|2,0,2]=4 270 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,0,0,0,0,0|2,0,2]=4 271 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,0,0,0,0,0|2,0,2]=4 272 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,0,0,0,0,0|2,0,2]=4 273 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,0,0,0,0,0|2,0,2]=4 274 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,0,0,0,0,0|2,0,2]=4 275 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,0,0,0,0,0|2,0,2]=4 276 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,0,0,0,0,0|2,0,2]=4 277 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,0,0,0,0,0|2,0,2]=4 278 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,0,0,0,0,0|2,0,2]=4 279 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,0,0,0,0,0|2,0,2]=4 280 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,0,0,0,0,0|2,0,2]=4 281 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,0,0,0,0,0|2,0,2]=4 282 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,0,0,0,0,0|2,0,2]=4 283 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,0,0,0,0,0|1,0,2]=3 284 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,0,0,0,0,0|1,0,2]=3 285 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,0,0,0,0,0|1,0,2]=3 286 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,0,0,0,0,0|1,0,2]=3 287 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,0,0,0,0,0|1,0,2]=3 288 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,0,0,0,0,0|1,0,2]=3 289 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,0,0,0,0,0|2,0,2]=4 290 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,0,0,0,0,0|1,0,2]=3 291 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,0,0,0,0,0|1,0,2]=3 292 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,0,0,0,0,0|2,0,2]=4 293 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,0,0,0,0,0|2,0,2]=4 294 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,0,0,0,0,0|2,0,2]=4 295 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,0,0,0,0,0|2,0,2]=4 296 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,0,0,0,0,0|2,0,2]=4 297 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,0,0,0,0,0|2,0,2]=4 298 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,0,0,0,0,0|2,0,2]=4 299 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,0,0,0,0,0|2,0,2]=4 300 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,0,0,0,0,0|2,0,2]=4 301 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,0,0,0,0,0|2,0,2]=4 302 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,0,0,0,0,0|2,0,2]=4 303 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,0,0,0,0,0|2,0,2]=4 304 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,0,0,0,0,0|2,0,2]=4 305 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,0,0,0,0,0|2,0,2]=4 306 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,0,0,0,0,0|2,0,2]=4 307 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,0,0,0,0,0|2,0,2]=4 308 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,0,0,0,0,0|2,0,2]=4 309 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,0,0,0,0,0|2,0,2]=4 310 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,0,0,0,0,0|2,0,2]=4 311 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,0,0,0,0,0|2,0,2]=4 312 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,0,0,0,0,0|2,0,2]=4 313 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,0,0,0,0,0|2,0,2]=4 314 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,0,0,0,0,0|2,0,2]=4 315 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,0,0,0,0,0|2,0,2]=4 316 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,0,0,0,0,0|2,0,2]=4 317 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,0,0,0,0,0|2,0,2]=4 318 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,0,0,0,0,0|2,0,2]=4 319 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,0,0,0,0,0|2,0,2]=4 320 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,0,0,0,0,0|2,0,2]=4 321 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,0,0,0,0,0|2,0,2]=4 322 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,0,0,0,0,0|2,0,2]=4 323 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,0,0,0,0,0|2,0,2]=4 324 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,0,0,0,0,0|2,0,2]=4 325 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,0,0,0,0,0|2,0,2]=4 326 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,0,0,0,0,0|2,0,2]=4 327 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,0,0,0,0,0|2,0,2]=4 328 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,0,0,0,0,0|2,0,2]=4 329 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,0,0,0,0,0|2,0,2]=4 330 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,0,0,0,0,0|2,0,2]=4 331 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,0,0,0,0,0|2,0,2]=4 332 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,0,0,0,0,0|2,0,2]=4 333 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,0,0,0,0,0|2,0,2]=4 334 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,0,0,0,0,0|2,0,2]=4 335 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,0,0,0,0,0|2,0,2]=4 336 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,0,0,0,0,0|2,0,2]=4 337 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,0,0,0,0,0|2,0,2]=4 338 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,0,0,0,0,0|2,0,2]=4 339 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,0,0,0,0,0|2,0,2]=4 340 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,0,0,0,0,0|2,0,2]=4 341 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,0,0,0,0,0|2,0,2]=4 342 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,0,0,0,0,0|2,0,2]=4 343 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,0,0,0,0,0|2,0,2]=4 344 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,0,0,0,0,0|2,0,2]=4 345 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,0,0,0,0,0|2,0,2]=4 346 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,0,0,0,0,0|2,0,2]=4 347 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,0,0,0,0,0|2,0,2]=4 348 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,0,0,0,0,0|2,0,2]=4 349 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,0,0,0,0,0|2,0,2]=4 350 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,0,0,0,0,0|2,0,2]=4 351 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,0,0,0,0,0|2,0,2]=4 352 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,0,0,0,0,0|2,0,2]=4 353 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,0,0,0,0,0|2,0,2]=4 354 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,0,0,0,0,0|2,0,2]=4 355 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,0,0,0,0,0|2,0,2]=4 356 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,0,0,0,0,0|2,0,1]=3 357 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,0,0,0,0,0|2,0,1]=3 358 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,0,0,0,0,0|3,0,1]=4 359 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,0,0,0,0,0|3,0,1]=4 360 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,0,0,0,0,0|3,0,1]=4 361 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,0,0,0,0,0|2,0,1]=3 362 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,0,0,0,0,0|2,0,1]=3 363 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,0,0,0,0,0|2,0,1]=3 364 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,0,0,0,0,0|2,0,1]=3 365 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,0,0,0,0,0|2,0,1]=3 366 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,0,0,0,0,0|2,0,1]=3 367 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,0,0,0,0,0|2,0,1]=3 368 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,0,0,0,0,0|2,0,1]=3 369 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,0,0,0,0,0|2,0,1]=3 370 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,0,0,0,0,0|2,0,1]=3 371 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,0,0,0,0,0|2,0,1]=3 372 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,0,0,0,0,0|2,0,1]=3 373 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,0,0,0,0,0|2,0,1]=3 374 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,0,0,0,0,0|2,0,1]=3 375 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,0,0,0,0,0|3,0,1]=4 376 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,0,0,0,0,0|3,0,1]=4 377 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,0,0,0,0,0|3,0,1]=4 378 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,0,0,0,0,0|3,0,1]=4 379 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,0,0,0,0,0|3,0,1]=4 380 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,0,0,0,0,0|3,0,1]=4 381 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,0,0,0,0,0|3,0,1]=4 382 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,0,0,0,0,0|3,0,1]=4 383 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,0,0,0,0,0|3,0,1]=4 384 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,0,0,0,0,0|3,0,1]=4 385 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,0,0,0,0,0|3,0,1]=4 386 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,0,0,0,0,0|3,0,1]=4 387 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,0,0,0,0,0|3,0,1]=4 388 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,0,0,0,0,0|3,0,1]=4 389 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,0,0,0,0,0|3,0,1]=4 390 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,0,0,0,0,0|3,0,1]=4 391 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,0,0,0,0,0|3,0,1]=4 392 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,0,0,0,0,0|3,0,1]=4 393 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,0,0,0,0,0|3,0,1]=4 394 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,0,0,0,0,0|3,0,1]=4 395 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,0,0,0,0,0|3,0,1]=4 396 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,0,0,0,0,0|3,0,1]=4 397 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,0,0,0,0,0|3,0,1]=4 398 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,0,0,0,0,0|3,0,1]=4 399 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,0,0,0,0,0|2,0,2]=4 400 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,0,0,0,0,0|2,0,2]=4 401 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,0,0,0,0,0|2,0,2]=4 402 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,0,0,0,0,0|2,0,2]=4 403 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,0,0,0,0,0|2,0,1]=3 404 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,0,0,0,0,0|2,0,1]=3 405 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,0,0,0,0,0|2,0,1]=3 406 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,0,0,0,0,0|2,0,1]=3 407 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,0,0,0,0,0|2,0,1]=3 408 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,0,0,0,0,0|2,0,1]=3 409 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,0,0,0,0,0|3,0,1]=4 410 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,0,0,0,0,0|3,0,1]=4 411 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,0,0,0,0,0|3,0,1]=4 412 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,0,0,0,0,0|3,0,1]=4 413 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,0,0,0,0,0|3,0,1]=4 414 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,0,0,0,0,0|3,0,1]=4 415 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,0,0,0,0,0|3,0,1]=4 416 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,0,0,0,0,0|3,0,1]=4 417 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,0,0,0,0,0|3,0,1]=4 418 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,0,0,0,0,0|3,0,1]=4 419 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,0,0,0,0,0|3,0,1]=4 420 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,0,0,0,0,0|3,0,1]=4 421 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,0,0,0,0,0|3,0,1]=4 422 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,0,0,0,0,0|3,0,1]=4 423 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,0,0,0,0,0|3,0,1]=4 424 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,0,0,0,0,0|3,0,1]=4 425 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,0,0,0,0,0|3,0,1]=4 426 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,0,0,0,0,0|3,0,1]=4 427 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,0,0,0,0,0|3,0,1]=4 428 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,0,0,0,0,0|1,0,2]=3 429 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,0,0,0,0,0|1,0,2]=3 430 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,0,0,0,0,0|2,0,1]=3 431 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,0,0,0,0,0|2,0,1]=3 432 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,0,0,0,0,0|2,0,1]=3 433 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,0,0,0,0,0|2,0,1]=3 434 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,0,0,0,0,0|2,0,1]=3 435 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,0,0,0,0,0|2,0,1]=3 436 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,0,0,0,0,0|2,0,1]=3 437 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,0,0,0,0,0|2,0,2]=4 438 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,0,0,0,0,0|2,0,2]=4 439 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [0,0,0,0,0,0|3,0,1]=4 440 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,0,0,0,0,0|2,0,2]=4 441 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,0,0,0,0,0|2,0,2]=4 442 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,0,0,0,0,0|2,0,2]=4 443 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,0,0,0,0,0|2,0,2]=4 444 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,0,0,0,0,0|3,0,1]=4 445 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,0,0,0,0,0|2,0,2]=4 446 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,0,0,0,0,0|2,0,2]=4 447 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,0,0,0,0,0|2,0,2]=4 448 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,0,0,0,0,0|2,0,2]=4 449 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,0,0,0,0,0|2,0,1]=4 451 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,0,0,0,0,0|2,0,1]=4 452 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,0,0,0,0,0|2,0,1]=4 453 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,0,0,0,0,0|2,0,1]=4 454 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,0,0,0,0,0|2,0,1]=4 455 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,0,0,0,0,0|2,0,1]=4 456 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [1,0,0,0,0,0|2,0,1]=4 457 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [1,0,0,0,0,0|2,0,1]=4 458 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [1,0,0,0,0,0|2,0,1]=4 459 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [1,0,0,0,0,0|2,0,1]=4 460 B11R0.3 CCCCC#CCCCNCC 2230a_100015525214_200000047210 [1,0,0,0,0,0|2,0,1]=4 461 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [1,0,0,0,0,0|2,0,1]=4 462 B11R0.3 CCCCC#CCCCSCC 62a_100000210202_200000047210 [1,0,0,0,0,0|2,0,1]=4 463 B11R0.3 CCCCC#CCCCSCC 62a_200000047210_100000210202 [1,0,0,0,0,0|2,0,1]=4 464 B11R0.3 CCCCC#CCCOCCC 34a_100000037610_100000210303 [1,0,0,0,0,0|2,0,1]=4 465 B11R0.3 CCCCC#CCCOCCC 7a_100000037610_100000210303 [1,0,0,0,0,0|2,0,1]=4 466 B11R0.3 CCCCC#CCOCCCC 34a_200000034558_100000210210 [1,0,0,0,0,0|2,0,1]=4 467 B11R0.3 CCCCC#CCOCCCC 7a_200000034558_100000210211 [1,0,0,0,0,0|2,0,1]=4 468 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [1,0,0,0,0,0|0,0,3]=4 469 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [1,0,0,0,0,0|0,0,3]=4 470 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [1,0,0,0,0,0|0,0,3]=4 471 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [1,0,0,0,0,0|0,0,3]=4 472 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [1,0,0,0,0,0|2,0,1]=4 473 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [1,0,0,0,0,0|2,0,1]=4 474 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [1,0,0,0,0,0|2,0,1]=4 475 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [1,0,0,0,0,0|2,0,1]=4 476 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [1,0,0,0,0,0|0,0,1]=2 477 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [1,0,0,0,0,0|0,0,1]=2 478 B11R0.3 CCCCCCC#CCOCF 34a_200000037284_100015361967 [1,0,0,0,0,0|1,0,1]=3 479 B11R0.3 CCCCCCC#CCOCF 7a_200000037284_100015361967 [1,0,0,0,0,0|1,0,1]=3 480 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,0,0,0,0,0|0,0,3]=4 481 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,0,0,0,0,0|0,0,3]=4 482 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,0,0,0,0,0|0,0,3]=4 483 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,0,0,0,0,0|1,0,2]=4 484 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,0,0,0,0,0|1,0,2]=4 485 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,0,0,0,0,0|1,0,2]=4 486 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,0,0,0,0,0|1,0,2]=4 487 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,0,0,0,0,0|1,0,2]=4 488 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,0,0,0,0,0|1,0,2]=4 489 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,0,0,0,0,0|1,0,2]=4 490 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,0,0,0,0,0|1,0,2]=4 491 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,0,0,0,0,0|1,0,2]=4 492 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,0,0,0,0,0|1,0,2]=4 493 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,0,0,0,0,0|1,0,2]=4 494 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,0,0,0,0,0|1,0,2]=4 495 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,0,0,0,0,0|1,0,2]=4 496 B11R0.4 C#CCC(=O)C#CCCCCC 1458a_100011215388_100000184674 [1,0,0,0,0,0|1,0,2]=4 497 B11R0.4 C=CCC(=O)C#CCCCCC 1458a_100011215388_100000210623 [1,0,0,0,0,0|1,0,2]=4 498 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [1,0,0,0,0,0|1,0,2]=4 499 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,0,0,0,0,0|1,0,2]=4 500 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 501 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 502 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 503 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [1,0,0,0,0,0|2,0,1]=4 504 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,0,0,0,0,0|2,0,1]=4 505 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,0,0,0,0,0|2,0,1]=4 506 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,0,0,0,0,0|2,0,1]=4 507 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [1,0,0,0,0,0|3,0,0]=4 508 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 509 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 510 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 511 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 512 B11R0.4 CCCCCC#CC(=O)CC#N 1458a_100011215388_100011214920 [1,0,0,0,0,0|2,0,1]=4 513 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [1,0,0,0,0,0|1,0,0]=2 514 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [1,0,0,0,0,0|2,0,0]=3 515 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [1,0,0,0,0,0|2,0,0]=3 516 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [1,0,0,0,0,0|1,0,0]=2 517 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [1,0,0,0,0,0|2,0,0]=3 518 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [1,0,0,0,0,0|1,0,2]=4 519 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [1,0,0,0,0,0|1,0,2]=4 520 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [1,0,0,0,0,0|1,0,2]=4 521 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,0,0,0,0,0|1,0,1]=3 522 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,0,0,0,0,0|1,0,1]=3 523 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,0,0,0,0,0|2,0,1]=4 524 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,0,0,0,0,0|2,0,1]=4 525 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,0,0,0,0,0|2,0,1]=4 526 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,0,0,0,0,0|2,0,1]=4 527 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [1,0,0,0,0,0|2,0,1]=4 528 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,0,0,0,0,0|1,0,1]=3 529 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,0,0,0,0,0|1,0,1]=3 530 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,0,0,0,0,0|1,0,1]=3 531 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [1,0,0,0,0,0|2,0,1]=4 532 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,0,0,0,0,0|1,0,2]=4 533 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,0,0,0,0,0|1,0,2]=4 534 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,0,0,0,0,0|1,0,2]=4 535 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 536 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 537 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 538 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 539 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [1,0,0,0,0,0|3,0,0]=4 540 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [1,0,0,0,0,0|3,0,0]=4 541 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [1,0,0,0,0,0|3,0,0]=4 542 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [1,0,0,0,0,0|3,0,0]=4 543 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 544 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 545 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 546 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [1,0,0,0,0,0|3,0,0]=4 547 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 548 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 549 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 550 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 551 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 552 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [1,0,0,0,0,0|3,0,0]=4 553 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [1,0,0,0,0,0|3,0,0]=4 554 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 555 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 556 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 557 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 558 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 559 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 560 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [1,0,0,0,0,0|3,0,0]=4 561 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [1,0,0,0,0,0|3,0,0]=4 562 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [1,0,0,0,0,0|3,0,0]=4 563 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [1,0,0,0,0,0|2,0,1]=4 564 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [1,0,0,0,0,0|2,0,1]=4 565 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [1,0,0,0,0,0|2,0,1]=4 566 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [1,0,0,0,0,0|1,0,1]=3 567 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [1,0,0,0,0,0|3,0,0]=4 568 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [1,0,0,0,0,0|3,0,0]=4 569 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [1,0,0,0,0,0|3,0,0]=4 570 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [1,0,0,0,0,0|3,0,0]=4 571 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [1,0,0,0,0,0|2,0,1]=4 572 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [1,0,0,0,0,0|2,0,1]=4 573 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [1,0,0,0,0,0|2,0,1]=4 574 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [1,0,0,0,0,0|1,0,1]=3 575 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [1,0,0,0,0,0|1,0,1]=3 576 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [1,0,0,0,0,0|2,0,1]=4 577 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [1,0,0,0,0,0|2,0,1]=4 578 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [1,0,0,0,0,0|2,0,1]=4 579 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [1,0,0,0,0,0|2,0,1]=4 580 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [1,0,0,0,0,0|1,0,1]=3 581 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [1,0,0,0,0,0|1,0,1]=3 582 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [1,0,0,0,0,0|2,0,1]=4 583 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [1,0,0,0,0,0|2,0,1]=4 584 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [1,0,0,0,0,0|2,0,1]=4 585 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [1,0,0,0,0,0|1,0,1]=3 586 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [1,0,0,0,0,0|1,0,1]=3 587 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [1,0,0,0,0,0|3,0,0]=4 588 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [1,0,0,0,0,0|2,0,1]=4 589 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,0,0,0,0,0|2,0,1]=4 590 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [1,0,0,0,0,0|2,0,1]=4 591 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [1,0,0,0,0,0|1,0,1]=3 592 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [1,0,0,0,0,0|1,0,1]=3 593 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [1,0,0,0,0,0|3,0,0]=4 594 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [1,0,0,0,0,0|2,0,1]=4 595 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [1,0,0,0,0,0|2,0,1]=4 596 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [1,0,0,0,0,0|1,0,1]=3 597 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [1,0,0,0,0,0|1,0,1]=3 598 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [1,0,0,0,0,0|3,0,0]=4 599 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [1,0,0,0,0,0|2,0,0]=3 600 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [1,0,0,0,0,0|1,0,2]=4 601 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [1,0,0,0,0,0|1,0,1]=3 602 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [1,0,0,0,0,0|1,0,1]=3 603 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 604 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 605 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 606 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 607 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 608 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 609 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 610 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 611 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 612 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [1,0,0,0,0,0|2,0,0]=3 613 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [1,0,0,0,0,0|1,0,2]=4 614 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [1,0,0,0,0,0|1,0,2]=4 615 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [1,0,0,0,0,0|1,0,1]=3 616 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [1,0,0,0,0,0|1,0,1]=3 617 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 618 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 619 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 620 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 621 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 622 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 623 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 624 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 625 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 626 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [1,0,0,0,0,0|2,0,0]=3 627 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [1,0,0,0,0,0|2,0,1]=4 628 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [1,0,0,0,0,0|2,0,1]=4 629 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [1,0,0,0,0,0|2,0,1]=4 630 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [1,0,0,0,0,0|2,0,1]=4 631 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 632 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [1,0,0,0,0,0|3,0,0]=4 633 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 634 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [1,0,0,0,0,0|3,0,0]=4 635 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 636 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 637 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 638 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 639 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 640 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 641 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 642 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,0,0,0,0,0|1,0,1]=3 643 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [1,0,0,0,0,0|2,0,1]=4 644 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,0,0,0,0,0|1,0,1]=3 645 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,0,0,0,0,0|1,0,1]=3 646 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,0,0,0,0,0|1,0,1]=3 647 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,0,0,0,0,0|1,0,1]=3 648 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,0,0,0,0,0|1,0,1]=3 649 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,0,0,0,0,0|1,0,1]=3 650 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,0,0,0,0,0|1,0,1]=3 651 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,0,0,0,0,0|1,0,1]=3 652 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,0,0,0,0,0|1,0,1]=3 653 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,0,0,0,0,0|1,0,1]=3 654 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,0,0,0,0,0|1,0,1]=3 655 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,0,0,0,0,0|1,0,1]=3 656 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [1,0,0,0,0,0|2,0,1]=4 657 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [1,0,0,0,0,0|2,0,1]=4 658 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [1,0,0,0,0,0|2,0,1]=4 659 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [1,0,0,0,0,0|2,0,1]=4 660 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [1,0,0,0,0,0|2,0,1]=4 661 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [1,0,0,0,0,0|2,0,1]=4 662 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [1,0,0,0,0,0|2,0,1]=4 663 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [1,0,0,0,0,0|2,0,1]=4 664 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [1,0,0,0,0,0|2,0,1]=4 665 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [1,0,0,0,0,0|2,0,1]=4 666 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [1,0,0,0,0,0|2,0,1]=4 667 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [1,0,0,0,0,0|2,0,1]=4 668 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [1,0,0,0,0,0|2,0,1]=4 669 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [1,0,0,0,0,0|2,0,1]=4 670 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [1,0,0,0,0,0|2,0,1]=4 671 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [1,0,0,0,0,0|2,0,1]=4 672 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [1,0,0,0,0,0|2,0,1]=4 673 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [1,0,0,0,0,0|2,0,1]=4 674 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [1,0,0,0,0,0|2,0,1]=4 675 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [1,0,0,0,0,0|2,0,1]=4 676 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [1,0,0,0,0,0|2,0,1]=4 677 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [1,0,0,0,0,0|2,0,1]=4 678 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [1,0,0,0,0,0|2,0,1]=4 679 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [1,0,0,0,0,0|2,0,1]=4 680 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [1,0,0,0,0,0|2,0,1]=4 681 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,0,0,0,0,0|2,0,1]=4 682 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [1,0,0,0,0,0|2,0,1]=4 683 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [1,0,0,0,0,0|2,0,1]=4 684 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [1,0,0,0,0,0|2,0,1]=4 685 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [1,0,0,0,0,0|2,0,1]=4 686 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [1,0,0,0,0,0|2,0,1]=4 687 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [1,0,0,0,0,0|2,0,1]=4 688 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [1,0,0,0,0,0|2,0,1]=4 689 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [1,0,0,0,0,0|2,0,1]=4 690 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [1,0,0,0,0,0|2,0,1]=4 691 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [1,0,0,0,0,0|2,0,1]=4 692 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [1,0,0,0,0,0|2,0,1]=4 693 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [1,0,0,0,0,0|2,0,1]=4 694 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [1,0,0,0,0,0|2,0,1]=4 695 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [1,0,0,0,0,0|2,0,1]=4 696 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [1,0,0,0,0,0|2,0,1]=4 697 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [1,0,0,0,0,0|2,0,1]=4 698 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [1,0,0,0,0,0|2,0,1]=4 699 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [1,0,0,0,0,0|2,0,1]=4 700 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [1,0,0,0,0,0|2,0,1]=4 701 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [1,0,0,0,0,0|2,0,1]=4 702 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [1,0,0,0,0,0|2,0,1]=4 703 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [1,0,0,0,0,0|2,0,1]=4 704 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [1,0,0,0,0,0|2,0,1]=4 705 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [1,0,0,0,0,0|2,0,1]=4 706 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [1,0,0,0,0,0|2,0,1]=4 707 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [1,0,0,0,0,0|2,0,1]=4 708 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [1,0,0,0,0,0|2,0,1]=4 709 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [1,0,0,0,0,0|2,0,1]=4 710 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [1,0,0,0,0,0|2,0,1]=4 711 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [1,0,0,0,0,0|2,0,1]=4 712 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [1,0,0,0,0,0|2,0,1]=4 713 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [1,0,0,0,0,0|2,0,1]=4 714 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [1,0,0,0,0,0|2,0,1]=4 715 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [1,0,0,0,0,0|2,0,1]=4 716 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [1,0,0,0,0,0|2,0,1]=4 717 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [1,0,0,0,0,0|2,0,1]=4 718 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [1,0,0,0,0,0|2,0,1]=4 719 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [1,0,0,0,0,0|2,0,1]=4 720 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [1,0,0,0,0,0|2,0,1]=4 721 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [1,0,0,0,0,0|2,0,1]=4 722 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [1,0,0,0,0,0|2,0,1]=4 723 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [1,0,0,0,0,0|2,0,1]=4 724 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [1,0,0,0,0,0|2,0,1]=4 725 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [1,0,0,0,0,0|2,0,1]=4 726 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [1,0,0,0,0,0|2,0,1]=4 727 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [1,0,0,0,0,0|2,0,1]=4 728 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [1,0,0,0,0,0|3,0,0]=4 729 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [1,0,0,0,0,0|3,0,0]=4 730 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [1,0,0,0,0,0|3,0,0]=4 731 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [1,0,0,0,0,0|3,0,0]=4 732 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [1,0,0,0,0,0|3,0,0]=4 733 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [1,0,0,0,0,0|3,0,0]=4 734 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [1,0,0,0,0,0|3,0,0]=4 735 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [1,0,0,0,0,0|3,0,0]=4 736 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [1,0,0,0,0,0|3,0,0]=4 737 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [1,0,0,0,0,0|3,0,0]=4 738 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [1,0,0,0,0,0|3,0,0]=4 739 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,0,0,0,0,0|1,0,1]=3 740 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [1,0,0,0,0,0|2,0,1]=4 741 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [1,0,0,0,0,0|2,0,1]=4 742 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [1,0,0,0,0,0|2,0,1]=4 743 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [1,0,0,0,0,0|2,0,1]=4 744 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [1,0,0,0,0,0|2,0,1]=4 745 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [1,0,0,0,0,0|2,0,1]=4 746 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [1,0,0,0,0,0|2,0,1]=4 747 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [1,0,0,0,0,0|2,0,1]=4 748 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [1,0,0,0,0,0|2,0,1]=4 749 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [1,0,0,0,0,0|2,0,1]=4 750 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [1,0,0,0,0,0|3,0,0]=4 751 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,0,0,0,0,0|1,0,2]=4 752 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,0,0,0,0,0|1,0,2]=4 753 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,0,0,0,0,0|1,0,2]=4 754 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [1,0,0,0,0,0|2,0,1]=4 755 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [1,0,0,0,0,0|2,0,1]=4 756 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [1,0,0,0,0,0|2,0,1]=4 757 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [1,0,0,0,0,0|2,0,1]=4 758 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [1,0,0,0,0,0|2,0,1]=4 759 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [1,0,0,0,0,0|2,0,1]=4 760 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [1,0,0,0,0,0|2,0,1]=4 761 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [1,0,0,0,0,0|2,0,1]=4 762 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [1,0,0,0,0,0|2,0,1]=4 763 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [1,0,0,0,0,0|2,0,1]=4 764 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [1,0,0,0,0,0|2,0,1]=4 765 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [1,0,0,0,0,0|2,0,1]=4 766 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [1,0,0,0,0,0|2,0,1]=4 767 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [1,0,0,0,0,0|2,0,1]=4 768 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [1,0,0,0,0,0|2,0,1]=4 769 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [1,0,0,0,0,0|2,0,1]=4 770 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [1,0,0,0,0,0|2,0,1]=4 771 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [1,0,0,0,0,0|2,0,1]=4 772 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [1,0,0,0,0,0|2,0,1]=4 773 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,0,0,0,0,0|0,0,3]=4 774 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [1,0,0,0,0,0|0,0,2]=3 775 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [1,0,0,0,0,0|1,0,2]=4 776 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [1,0,0,0,0,0|2,0,1]=4 777 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,0,0,0,0,0|0,0,2]=3 778 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [1,0,0,0,0,0|1,0,2]=4 779 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [1,0,0,0,0,0|1,0,2]=4 780 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [1,0,0,0,0,0|1,0,2]=4 781 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [1,0,0,0,0,0|1,0,2]=4 782 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,0,0,0,0,0|0,0,2]=3 783 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,0,0,0,0,0|0,0,2]=3 784 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,0,0,0,0,0|1,0,2]=4 785 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,0,0,0,0,0|1,0,2]=4 786 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,0,0,0,0,0|1,0,2]=4 787 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,0,0,0,0,0|1,0,2]=4 788 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,0,0,0,0,0|1,0,2]=4 789 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,0,0,0,0,0|1,0,2]=4 790 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,0,0,0,0,0|1,0,1]=3 791 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,0,0,0,0,0|1,0,1]=3 792 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,0,0,0,0,0|1,0,1]=3 793 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,0,0,0,0,0|1,0,1]=3 794 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,0,0,0,0,0|2,0,1]=4 795 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,0,0,0,0,0|2,0,1]=4 796 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,0,0,0,0,0|2,0,1]=4 797 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,0,0,0,0,0|2,0,1]=4 798 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,0,0,0,0,0|2,0,1]=4 799 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,0,0,0,0,0|2,0,1]=4 800 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,0,0,0,0,0|2,0,1]=4 801 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,0,0,0,0,0|2,0,1]=4 802 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [1,0,0,0,0,0|2,0,1]=4 803 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [1,0,0,0,0,0|2,0,1]=4 804 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,0,0,0,0,0|1,0,1]=3 805 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,0,0,0,0,0|1,0,1]=3 806 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,0,0,0,0,0|1,0,1]=3 807 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [1,0,0,0,0,0|2,0,1]=4 808 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [1,0,0,0,0,0|2,0,1]=4 809 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [1,0,0,0,0,0|2,0,1]=4 810 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,0,0,0,0,0|1,0,1]=3 811 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,0,0,0,0,0|1,0,1]=3 812 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,0,0,0,0,0|1,0,1]=3 813 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,0,0,0,0,0|1,0,1]=3 814 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [1,0,0,0,0,0|2,0,1]=4 815 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [1,0,0,0,0,0|2,0,1]=4 816 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,0,0,0,0,0|1,0,1]=3 817 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,0,0,0,0,0|1,0,1]=3 818 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,0,0,0,0,0|1,0,2]=4 819 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [1,0,0,0,0,0|2,0,1]=4 820 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,0,0,0,0,0|1,0,2]=4 821 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,0,0,0,0,0|1,0,2]=4 822 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,0,0,0,0,0|1,0,2]=4 823 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,0,0,0,0,0|1,0,2]=4 824 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,0,0,0,0,0|2,0,1]=4 825 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [1,0,0,0,0,0|1,0,2]=4 826 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [1,0,0,0,0,0|1,0,2]=4 827 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,0,0,0,0,0|1,0,2]=4 828 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,0,0,0,0,0|1,0,2]=4 829 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [1,0,0,0,0,0|2,0,1]=4 830 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [1,0,0,0,0,0|1,0,2]=4 831 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [1,0,0,0,0,0|1,0,2]=4 832 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,0,0,0,0,0|1,0,2]=4 833 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,0,0,0,0,0|1,0,2]=4 834 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,0,0,0,0,0|2,0,1]=4 835 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,0,0,0,0,0|2,0,1]=4 836 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [1,0,0,0,0,0|2,0,1]=4 837 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,0,0,0,0,0|2,0,1]=4 838 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,0,0,0,0,0|2,0,1]=4 839 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [1,0,0,0,0,0|2,0,1]=4 840 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [1,0,0,0,0,0|2,0,1]=4 841 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [1,0,0,0,0,0|2,0,1]=4 842 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [1,0,0,0,0,0|2,0,1]=4 843 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [1,0,0,0,0,0|2,0,1]=4 844 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [1,0,0,0,0,0|1,0,2]=4 845 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [1,0,0,0,0,0|1,0,2]=4 846 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,0,0,0,0,0|1,0,2]=4 847 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,0,0,0,0,0|1,0,2]=4 848 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [1,0,0,0,0,0|2,0,1]=4 849 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [1,0,0,0,0,0|2,0,1]=4 850 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [1,0,0,0,0,0|2,0,1]=4 851 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [1,0,0,0,0,0|2,0,1]=4 852 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,0,0,0,0,0|1,0,2]=4 853 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,0,0,0,0,0|1,0,2]=4 854 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,0,0,0,0,0|1,0,2]=4 855 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [1,0,0,0,0,0|2,0,1]=4 856 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [1,0,0,0,0,0|2,0,1]=4 857 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [1,0,0,0,0,0|2,0,1]=4 858 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [1,0,0,0,0,0|2,0,1]=4 859 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [1,0,0,0,0,0|2,0,1]=4 860 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [1,0,0,0,0,0|2,0,1]=4 861 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [1,0,0,0,0,0|2,0,1]=4 862 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [1,0,0,0,0,0|2,0,1]=4 863 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [1,0,0,0,0,0|2,0,1]=4 864 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [1,0,0,0,0,0|2,0,1]=4 865 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [1,0,0,0,0,0|2,0,1]=4 866 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [1,0,0,0,0,0|2,0,1]=4 867 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [1,0,0,0,0,0|2,0,1]=4 868 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [1,0,0,0,0,0|2,0,1]=4 869 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,0,0,0,0,0|1,0,2]=4 870 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,0,0,0,0,0|1,0,2]=4 871 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [1,0,0,0,0,0|2,0,1]=4 872 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [1,0,0,0,0,0|2,0,1]=4 873 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [1,0,0,0,0,0|2,0,1]=4 874 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [1,0,0,0,0,0|2,0,1]=4 875 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [1,0,0,0,0,0|2,0,1]=4 876 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [1,0,0,0,0,0|2,0,1]=4 877 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,0,0,0,0,0|1,0,2]=4 878 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,0,0,0,0,0|1,0,2]=4 879 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,0,0,0,0,0|1,0,2]=4 880 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,0,0,0,0,0|1,0,2]=4 881 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [1,0,0,0,0,0|2,0,1]=4 882 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [1,0,0,0,0,0|2,0,1]=4 883 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [1,0,0,0,0,0|2,0,1]=4 884 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [1,0,0,0,0,0|2,0,1]=4 885 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [1,0,0,0,0,0|2,0,1]=4 886 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [1,0,0,0,0,0|2,0,1]=4 887 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [1,0,0,0,0,0|2,0,1]=4 888 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [1,0,0,0,0,0|2,0,1]=4 889 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [1,0,0,0,0,0|2,0,1]=4 890 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [1,0,0,0,0,0|2,0,1]=4 891 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,0,0,0,0,0|1,0,2]=4 892 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,0,0,0,0,0|1,0,2]=4 893 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [1,0,0,0,0,0|2,0,1]=4 894 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [1,0,0,0,0,0|2,0,1]=4 895 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [1,0,0,0,0,0|2,0,1]=4 896 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,0,0,0,0,0|1,0,2]=4 897 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,0,0,0,0,0|1,0,2]=4 898 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,0,0,0,0,0|1,0,2]=4 899 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,0,0,0,0,0|1,0,2]=4 900 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,0,0,0,0,0|1,0,2]=4 901 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,0,0,0,0,0|1,0,2]=4 902 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,0,0,0,0,0|1,0,2]=4 903 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,0,0,0,0,0|1,0,2]=4 904 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,0,0,0,0,0|1,0,2]=4 905 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [1,0,0,0,0,0|2,0,1]=4 906 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [1,0,0,0,0,0|2,0,1]=4 907 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [1,0,0,0,0,0|2,0,1]=4 908 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [1,0,0,0,0,0|2,0,1]=4 909 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [1,0,0,0,0,0|2,0,1]=4 910 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [1,0,0,0,0,0|2,0,1]=4 911 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [1,0,0,0,0,0|2,0,1]=4 912 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [1,0,0,0,0,0|2,0,1]=4 913 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [1,0,0,0,0,0|2,0,1]=4 914 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [1,0,0,0,0,0|2,0,1]=4 915 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [1,0,0,0,0,0|2,0,1]=4 916 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [1,0,0,0,0,0|2,0,1]=4 917 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [1,0,0,0,0,0|2,0,1]=4 918 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [1,0,0,0,0,0|2,0,1]=4 919 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [1,0,0,0,0,0|2,0,1]=4 920 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,0,0,0,0,0|1,0,2]=4 921 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,0,0,0,0,0|1,0,2]=4 922 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,0,0,0,0,0|1,0,2]=4 923 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [1,0,0,0,0,0|2,0,1]=4 924 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [1,0,0,0,0,0|2,0,1]=4 925 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [1,0,0,0,0,0|2,0,1]=4 926 B13R0.2 C#CCCCCCOCC(=O)OCC 34a_100000766912_100000188475 [0,1,0,0,0,0|1,0,2]=4 927 B13R0.2 C#CCCCCCOCC(=O)OCC 7a_100000766912_100000188475 [0,1,0,0,0,0|1,0,2]=4 928 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100000188475_100012094781 [0,1,0,0,0,0|1,0,2]=4 929 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100012094781_100000188475 [0,1,0,0,0,0|1,0,2]=4 930 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,1,0,0,0,0|1,0,2]=4 931 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,1,0,0,0,0|1,0,2]=4 932 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,1,0,0,0,0|1,0,2]=4 933 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,1,0,0,0,0|1,0,2]=4 934 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,1,0,0,0,0|1,0,2]=4 935 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,1,0,0,0,0|1,0,2]=4 936 B13R0.2 CCCC#CCCOCC(=O)OCC 34a_100000042726_100000188475 [0,1,0,0,0,0|1,0,2]=4 937 B13R0.2 CCCC#CCCOCC(=O)OCC 7a_100000042726_100000188475 [0,1,0,0,0,0|1,0,2]=4 938 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,1,0,0,0,0|1,0,2]=4 939 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,1,0,0,0,0|2,0,1]=4 940 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,1,0,0,0,0|2,0,1]=4 941 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,1,0,0,0,0|2,0,1]=4 942 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,1,0,0,0,0|2,0,1]=4 943 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,1,0,0,0,0|2,0,1]=4 944 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,1,0,0,0,0|2,0,1]=4 945 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,1,0,0,0,0|2,0,1]=4 946 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,1,0,0,0,0|2,0,1]=4 947 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,1,0,0,0,0|2,0,1]=4 948 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,1,0,0,0,0|2,0,1]=4 949 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,1,0,0,0,0|1,0,2]=4 950 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,1,0,0,0,0|1,0,2]=4 951 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,1,0,0,0,0|1,0,2]=4 952 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,1,0,0,0,0|1,0,2]=4 953 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,1,0,0,0,0|1,0,2]=4 954 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,1,0,0,0,0|1,0,2]=4 955 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,1,0,0,0,0|1,0,2]=4 956 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,1,0,0,0,0|2,0,1]=4 957 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,1,0,0,0,0|1,0,2]=4 958 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,1,0,0,0,0|1,0,2]=4 959 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,1,0,0,0,0|1,0,2]=4 960 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,1,0,0,0,0|1,0,2]=4 961 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,1,0,0,0,0|1,0,2]=4 962 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,1,0,0,0,0|1,0,2]=4 963 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,1,0,0,0,0|1,0,2]=4 964 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,1,0,0,0,0|1,0,2]=4 965 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,1,0,0,0,0|1,0,2]=4 966 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,1,0,0,0,0|1,0,2]=4 967 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,1,0,0,0,0|1,0,2]=4 968 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,1,0,0,0,0|1,0,2]=4 969 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,1,0,0,0,0|1,0,2]=4 970 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,1,0,0,0,0|1,0,2]=4 971 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,1,0,0,0,0|1,0,2]=4 972 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,1,0,0,0,0|1,0,2]=4 973 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,1,0,0,0,0|1,0,2]=4 974 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,1,0,0,0,0|1,0,2]=4 975 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,1,0,0,0,0|1,0,2]=4 976 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,1,0,0,0,0|1,0,2]=4 977 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,1,0,0,0,0|1,0,2]=4 978 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,1,0,0,0,0|0,0,2]=3 979 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,1,0,0,0,0|1,0,2]=4 980 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,1,0,0,0,0|1,0,2]=4 981 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,1,0,0,0,0|1,0,2]=4 982 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,1,0,0,0,0|0,0,2]=3 983 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,1,0,0,0,0|0,0,2]=3 984 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,1,0,0,0,0|1,0,2]=4 985 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,1,0,0,0,0|1,0,2]=4 986 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,1,0,0,0,0|1,0,2]=4 987 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,1,0,0,0,0|1,0,2]=4 988 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,1,0,0,0,0|0,0,2]=3 989 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,1,0,0,0,0|0,0,2]=3 990 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,1,0,0,0,0|1,0,2]=4 991 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,1,0,0,0,0|1,0,2]=4 992 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,1,0,0,0,0|0,0,2]=3 993 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,1,0,0,0,0|2,0,1]=4 994 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,1,0,0,0,0|1,0,2]=4 995 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,1,0,0,0,0|0,0,2]=3 996 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,1,0,0,0,0|0,0,2]=3 997 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,1,0,0,0,0|2,0,1]=4 998 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,1,0,0,0,0|1,0,2]=4 999 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,1,0,0,0,0|1,0,2]=4 1000 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,1,0,0,0,0|0,0,2]=3 1001 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,1,0,0,0,0|0,0,2]=3 1002 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,1,0,0,0,0|2,0,1]=4 1003 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,1,0,0,0,0|1,0,1]=3 1004 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,1,0,0,0,0|0,0,2]=3 1005 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,1,0,0,0,0|0,0,2]=3 1006 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,1,0,0,0,0|1,0,2]=4 1007 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,1,0,0,0,0|0,0,2]=3 1008 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,1,0,0,0,0|0,0,2]=3 1009 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,1,0,0,0,0|0,0,2]=3 1010 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,1,0,0,0,0|0,0,2]=3 1011 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,1,0,0,0,0|0,0,2]=3 1012 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,1,0,0,0,0|1,0,1]=3 1013 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,1,0,0,0,0|1,0,1]=3 1014 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,1,0,0,0,0|0,0,2]=3 1015 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,1,0,0,0,0|0,0,2]=3 1016 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,1,0,0,0,0|0,0,2]=3 1017 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,1,0,0,0,0|0,0,2]=3 1018 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,1,0,0,0,0|1,0,1]=3 1019 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,1,0,0,0,0|0,0,2]=3 1020 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,1,0,0,0,0|0,0,2]=3 1021 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,1,0,0,0,0|1,0,1]=3 1022 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,1,0,0,0,0|1,0,1]=3 1023 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,1,0,0,0,0|0,0,2]=3 1024 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,1,0,0,0,0|0,0,2]=3 1025 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,1,0,0,0,0|2,0,1]=4 1026 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,1,0,0,0,0|2,0,1]=4 1027 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,1,0,0,0,0|2,0,1]=4 1028 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,1,0,0,0,0|2,0,1]=4 1029 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,1,0,0,0,0|2,0,1]=4 1030 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,1,0,0,0,0|2,0,1]=4 1031 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,1,0,0,0,0|2,0,1]=4 1032 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,1,0,0,0,0|2,0,1]=4 1033 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,1,0,0,0,0|2,0,1]=4 1034 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,1,0,0,0,0|2,0,1]=4 1035 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,1,0,0,0,0|2,0,1]=4 1036 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,1,0,0,0,0|2,0,1]=4 1037 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,1,0,0,0,0|2,0,1]=4 1038 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,1,0,0,0,0|2,0,1]=4 1039 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,1,0,0,0,0|2,0,1]=4 1040 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,1,0,0,0,0|2,0,1]=4 1041 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,1,0,0,0,0|2,0,1]=4 1042 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,1,0,0,0,0|1,0,1]=3 1043 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,1,0,0,0,0|1,0,1]=3 1044 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,1,0,0,0,0|1,0,1]=3 1045 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,1,0,0,0,0|1,0,1]=3 1046 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,1,0,0,0,0|2,0,1]=4 1047 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,1,0,0,0,0|2,0,1]=4 1048 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,1,0,0,0,0|2,0,1]=4 1049 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,1,0,0,0,0|2,0,1]=4 1050 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,1,0,0,0,0|1,0,1]=3 1051 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,1,0,0,0,0|1,0,1]=3 1052 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,1,0,0,0,0|1,0,1]=3 1053 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,1,0,0,0,0|1,0,2]=4 1054 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,1,0,0,0,0|1,0,2]=4 1055 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,1,0,0,0,0|2,0,1]=4 1056 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,1,0,0,0,0|2,0,1]=4 1057 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,1,0,0,0,0|0,0,2]=3 1058 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,1,0,0,0,0|0,0,2]=3 1059 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,1,0,0,0,0|2,0,1]=4 1060 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,1,0,0,0,0|2,0,1]=4 1061 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,1,0,0,0,0|1,0,1]=3 1062 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,1,0,0,0,0|2,0,1]=4 1063 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,1,0,0,0,0|2,0,1]=4 1064 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,1,0,0,0,0|2,0,1]=4 1065 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,1,0,0,0,0|1,0,1]=3 1066 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,1,0,0,0,0|1,0,1]=3 1067 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,1,0,0,0,0|1,0,1]=3 1068 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,1,0,0,0,0|1,0,1]=3 1069 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,1,0,0,0,0|0,0,2]=3 1070 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,1,0,0,0,0|0,0,2]=3 1071 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,1,0,0,0,0|2,0,1]=4 1072 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,1,0,0,0,0|2,0,1]=4 1073 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,1,0,0,0,0|2,0,1]=4 1074 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,1,0,0,0,0|1,0,1]=3 1075 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,1,0,0,0,0|1,0,1]=3 1076 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,1,0,0,0,0|1,0,1]=3 1077 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,1,0,0,0,0|1,0,2]=4 1078 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,1,0,0,0,0|1,0,2]=4 1079 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,1,0,0,0,0|1,0,2]=4 1080 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,1,0,0,0,0|1,0,2]=4 1081 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,1,0,0,0,0|1,0,2]=4 1082 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,1,0,0,0,0|1,0,2]=4 1083 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,1,0,0,0,0|2,0,1]=4 1084 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,1,0,0,0,0|0,0,2]=3 1085 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,1,0,0,0,0|0,0,2]=3 1086 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,1,0,0,0,0|1,0,1]=3 1087 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,1,0,0,0,0|1,0,1]=3 1088 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,1,0,0,0,0|1,0,2]=4 1089 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,1,0,0,0,0|1,0,2]=4 1090 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,1,0,0,0,0|1,0,2]=4 1091 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,1,0,0,0,0|1,0,2]=4 1092 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,1,0,0,0,0|2,0,1]=4 1093 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,1,0,0,0,0|2,0,1]=4 1094 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,1,0,0,0,0|2,0,1]=4 1095 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,1,0,0,0,0|2,0,1]=4 1096 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,1,0,0,0,0|2,0,1]=4 1097 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,1,0,0,0,0|2,0,1]=4 1098 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,1,0,0,0,0|2,0,1]=4 1099 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,1,0,0,0,0|2,0,1]=4 1100 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,1,0,0,0,0|2,0,1]=4 1101 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,1,0,0,0,0|2,0,1]=4 1102 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,1,0,0,0,0|2,0,1]=4 1103 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,1,0,0,0,0|2,0,1]=4 1104 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,1,0,0,0,0|2,0,1]=4 1105 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,1,0,0,0,0|2,0,1]=4 1106 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,1,0,0,0,0|2,0,1]=4 1107 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,1,0,0,0,0|2,0,1]=4 1108 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,1,0,0,0,0|2,0,1]=4 1109 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,1,0,0,0,0|2,0,1]=4 1110 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,1,0,0,0,0|2,0,1]=4 1111 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,1,0,0,0,0|2,0,1]=4 1112 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,1,0,0,0,0|2,0,1]=4 1113 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,1,0,0,0,0|2,0,1]=4 1114 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,1,0,0,0,0|2,0,1]=4 1115 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,1,0,0,0,0|2,0,1]=4 1116 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,1,0,0,0,0|0,0,2]=3 1117 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,1,0,0,0,0|1,0,2]=4 1118 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,1,0,0,0,0|1,0,2]=4 1119 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,1,0,0,0,0|1,0,2]=4 1120 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,1,0,0,0,0|1,0,2]=4 1121 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,1,0,0,0,0|1,0,2]=4 1122 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,1,0,0,0,0|1,0,2]=4 1123 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,1,0,0,0,0|1,0,2]=4 1124 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,1,0,0,0,0|1,0,2]=4 1125 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,1,0,0,0,0|1,0,2]=4 1126 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,1,0,0,0,0|1,0,2]=4 1127 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,1,0,0,0,0|1,0,2]=4 1128 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,1,0,0,0,0|1,0,2]=4 1129 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,1,0,0,0,0|1,0,2]=4 1130 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,1,0,0,0,0|1,0,2]=4 1131 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,1,0,0,0,0|1,0,2]=4 1132 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,1,0,0,0,0|1,0,2]=4 1133 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,1,0,0,0,0|1,0,2]=4 1134 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,1,0,0,0,0|1,0,2]=4 1135 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,1,0,0,0,0|1,0,2]=4 1136 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,1,0,0,0,0|1,0,2]=4 1137 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,1,0,0,0,0|1,0,2]=4 1138 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,1,0,0,0,0|1,0,2]=4 1139 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,1,0,0,0,0|1,0,2]=4 1140 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,1,0,0,0,0|1,0,2]=4 1141 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,1,0,0,0,0|1,0,2]=4 1142 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,1,0,0,0,0|1,0,2]=4 1143 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,1,0,0,0,0|0,0,2]=3 1144 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,1,0,0,0,0|0,0,2]=3 1145 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,1,0,0,0,0|0,0,2]=3 1146 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,1,0,0,0,0|0,0,2]=3 1147 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,1,0,0,0,0|0,0,2]=3 1148 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,1,0,0,0,0|0,0,2]=3 1149 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,1,0,0,0,0|0,0,2]=3 1150 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,1,0,0,0,0|1,0,2]=4 1151 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,1,0,0,0,0|1,0,2]=4 1152 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,1,0,0,0,0|1,0,2]=4 1153 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,1,0,0,0,0|1,0,2]=4 1154 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,1,0,0,0,0|1,0,2]=4 1155 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,1,0,0,0,0|1,0,2]=4 1156 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,1,0,0,0,0|1,0,2]=4 1157 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,1,0,0,0,0|1,0,2]=4 1158 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,1,0,0,0,0|1,0,2]=4 1159 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,1,0,0,0,0|1,0,2]=4 1160 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,1,0,0,0,0|1,0,2]=4 1161 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,1,0,0,0,0|1,0,2]=4 1162 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,1,0,0,0,0|1,0,2]=4 1163 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,1,0,0,0,0|1,0,2]=4 1164 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,1,0,0,0,0|1,0,2]=4 1165 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,1,0,0,0,0|1,0,2]=4 1166 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,1,0,0,0,0|1,0,2]=4 1167 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,1,0,0,0,0|1,0,2]=4 1168 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,1,0,0,0,0|1,0,2]=4 1169 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,1,0,0,0,0|1,0,2]=4 1170 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,1,0,0,0,0|1,0,2]=4 1171 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,1,0,0,0,0|1,0,2]=4 1172 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,1,0,0,0,0|1,0,2]=4 1173 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,1,0,0,0,0|1,0,2]=4 1174 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,1,0,0,0,0|1,0,2]=4 1175 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,1,0,0,0,0|1,0,2]=4 1176 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,1,0,0,0,0|1,0,2]=4 1177 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,1,0,0,0,0|1,0,2]=4 1178 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,1,0,0,0,0|1,0,2]=4 1179 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,1,0,0,0,0|1,0,2]=4 1180 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,1,0,0,0,0|1,0,2]=4 1181 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,1,0,0,0,0|1,0,2]=4 1182 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,1,0,0,0,0|1,0,2]=4 1183 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,1,0,0,0,0|1,0,2]=4 1184 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,1,0,0,0,0|1,0,2]=4 1185 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,1,0,0,0,0|1,0,2]=4 1186 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,1,0,0,0,0|1,0,2]=4 1187 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,1,0,0,0,0|1,0,2]=4 1188 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,1,0,0,0,0|1,0,2]=4 1189 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,1,0,0,0,0|1,0,2]=4 1190 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,1,0,0,0,0|1,0,2]=4 1191 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,1,0,0,0,0|1,0,2]=4 1192 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,1,0,0,0,0|1,0,2]=4 1193 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,1,0,0,0,0|1,0,2]=4 1194 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,1,0,0,0,0|1,0,2]=4 1195 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,1,0,0,0,0|1,0,2]=4 1196 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,1,0,0,0,0|1,0,2]=4 1197 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,1,0,0,0,0|1,0,2]=4 1198 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,1,0,0,0,0|1,0,2]=4 1199 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,1,0,0,0,0|1,0,2]=4 1200 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,1,0,0,0,0|1,0,2]=4 1201 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,1,0,0,0,0|1,0,2]=4 1202 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,1,0,0,0,0|1,0,2]=4 1203 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,1,0,0,0,0|1,0,2]=4 1204 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,1,0,0,0,0|1,0,2]=4 1205 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,1,0,0,0,0|1,0,2]=4 1206 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,1,0,0,0,0|1,0,2]=4 1207 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,1,0,0,0,0|1,0,2]=4 1208 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,1,0,0,0,0|1,0,2]=4 1209 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,1,0,0,0,0|1,0,2]=4 1210 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,1,0,0,0,0|1,0,2]=4 1211 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,1,0,0,0,0|1,0,2]=4 1212 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,1,0,0,0,0|1,0,2]=4 1213 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,1,0,0,0,0|1,0,2]=4 1214 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,1,0,0,0,0|1,0,2]=4 1215 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,1,0,0,0,0|1,0,2]=4 1216 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,1,0,0,0,0|1,0,2]=4 1217 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,1,0,0,0,0|1,0,2]=4 1218 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,1,0,0,0,0|1,0,2]=4 1219 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,1,0,0,0,0|1,0,2]=4 1220 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,1,0,0,0,0|1,0,2]=4 1221 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,1,0,0,0,0|1,0,2]=4 1222 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,1,0,0,0,0|1,0,2]=4 1223 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,1,0,0,0,0|1,0,2]=4 1224 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,1,0,0,0,0|1,0,2]=4 1225 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,1,0,0,0,0|1,0,2]=4 1226 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,1,0,0,0,0|1,0,2]=4 1227 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,1,0,0,0,0|1,0,2]=4 1228 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,1,0,0,0,0|1,0,2]=4 1229 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,1,0,0,0,0|1,0,2]=4 1230 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,1,0,0,0,0|1,0,2]=4 1231 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,1,0,0,0,0|1,0,2]=4 1232 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,1,0,0,0,0|1,0,2]=4 1233 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,1,0,0,0,0|1,0,2]=4 1234 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,1,0,0,0,0|1,0,2]=4 1235 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,1,0,0,0,0|1,0,1]=3 1236 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,1,0,0,0,0|1,0,1]=3 1237 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,1,0,0,0,0|1,0,1]=3 1238 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,1,0,0,0,0|1,0,1]=3 1239 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,1,0,0,0,0|2,0,1]=4 1240 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,1,0,0,0,0|2,0,1]=4 1241 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,1,0,0,0,0|1,0,1]=3 1242 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,1,0,0,0,0|1,0,1]=3 1243 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,1,0,0,0,0|1,0,1]=3 1244 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,1,0,0,0,0|1,0,1]=3 1245 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,1,0,0,0,0|1,0,1]=3 1246 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,1,0,0,0,0|1,0,1]=3 1247 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,1,0,0,0,0|1,0,1]=3 1248 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,1,0,0,0,0|1,0,1]=3 1249 B13R0.2 CCOC(=O)COCCCNCCF 34a_100000724931_100009893628 [0,1,0,0,0,0|2,0,1]=4 1250 B13R0.2 CCOC(=O)COCCCNCCO 2230a_100016997473_100009893628 [0,1,0,0,0,0|2,0,1]=4 1251 B13R0.2 CCOC(=O)COCCCNCCO 34a_100016990907_100009893628 [0,1,0,0,0,0|2,0,1]=4 1252 B13R0.2 CCOC(=O)COCCCOCCBr 34a_100000211926_100009893628 [0,1,0,0,0,0|2,0,1]=4 1253 B13R0.2 CCOC(=O)COCCCOCCN 34a_100000210304_100009893628 [0,1,0,0,0,0|2,0,1]=4 1254 B13R0.2 CCOC(=O)COCCCSCCF 62a_100009893628_100011217306 [0,1,0,0,0,0|2,0,1]=4 1255 B13R0.2 CCOC(=O)COCCCSCCF 62a_100011217306_100009893628 [0,1,0,0,0,0|2,0,1]=4 1256 B13R0.2 CCOC(=O)COCCCSCCO 62a_100000211926_100009893628 [0,1,0,0,0,0|2,0,1]=4 1257 B13R0.2 CCOC(=O)COCCCSCCO 62a_100009893628_100000211926 [0,1,0,0,0,0|2,0,1]=4 1258 B13R0.2 CCOC(=O)COCCCSCOC 62a_100000766300_100009893628 [0,1,0,0,0,0|2,0,1]=4 1259 B13R0.2 CCOC(=O)COCCCSCOC 62a_100009893628_100000766300 [0,1,0,0,0,0|2,0,1]=4 1260 B13R0.2 CCOC(=O)COCCCSCSC 62a_100009893628_100011218213 [0,1,0,0,0,0|2,0,1]=4 1261 B13R0.2 CCOC(=O)COCCCSCSC 62a_100011218213_100009893628 [0,1,0,0,0,0|2,0,1]=4 1262 B13R0.2 CCOC(=O)COCCNCCCF 2230a_100015189416_100000088970 [0,1,0,0,0,0|2,0,1]=4 1263 B13R0.2 CCOC(=O)COCCNCCCF 34a_100015189416_100000088970 [0,1,0,0,0,0|2,0,1]=4 1264 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,1,0,0,0,0|2,0,1]=4 1265 B13R0.2 CCOC(=O)COCCNCCSC 2230a_100020590264_100000088970 [0,1,0,0,0,0|2,0,1]=4 1266 B13R0.2 CCOC(=O)COCCOCCCBr 34a_100011217188_100000088970 [0,1,0,0,0,0|2,0,1]=4 1267 B13R0.2 CCOC(=O)COCCOCCCCl 34a_100000230001_100000088970 [0,1,0,0,0,0|2,0,1]=4 1268 B13R0.2 CCOC(=O)COCCOCCCF 34a_100000759539_100000088970 [0,1,0,0,0,0|2,0,1]=4 1269 B13R0.2 CCOC(=O)COCCOCCCN 34a_100000182051_100000088970 [0,1,0,0,0,0|2,0,1]=4 1270 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,1,0,0,0,0|2,0,1]=4 1271 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,1,0,0,0,0|2,0,1]=4 1272 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,1,0,0,0,0|2,0,1]=4 1273 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,1,0,0,0,0|2,0,1]=4 1274 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,1,0,0,0,0|2,0,1]=4 1275 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,1,0,0,0,0|2,0,1]=4 1276 B13R0.2 CCOC(=O)COCCSCCCF 62a_100000088970_100011934791 [0,1,0,0,0,0|2,0,1]=4 1277 B13R0.2 CCOC(=O)COCCSCCCF 62a_100011934791_100000088970 [0,1,0,0,0,0|2,0,1]=4 1278 B13R0.2 CCOC(=O)COCCSCCCO 62a_100000088970_100011215043 [0,1,0,0,0,0|2,0,1]=4 1279 B13R0.2 CCOC(=O)COCCSCCCO 62a_100011215043_100000088970 [0,1,0,0,0,0|2,0,1]=4 1280 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,1,0,0,0,0|2,0,1]=4 1281 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,1,0,0,0,0|2,0,1]=4 1282 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000088970_100000751147 [0,1,0,0,0,0|2,0,1]=4 1283 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000212216_100000088970 [0,1,0,0,0,0|2,0,1]=4 1284 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100000188475_100009813376 [0,1,0,0,0,0|1,0,2]=4 1285 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100009813376_100000188475 [0,1,0,0,0,0|1,0,2]=4 1286 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,1,0,0,0,0|1,0,2]=4 1287 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,1,0,0,0,0|1,0,2]=4 1288 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,1,0,0,0,0|1,0,1]=3 1289 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,1,0,0,0,0|1,0,1]=3 1290 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,1,0,0,0,0|1,0,1]=3 1291 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,1,0,0,0,0|1,0,1]=3 1292 B13R0.2 CCOC(=O)CSCCOCCCF 7a_200000230590_100011934791 [0,1,0,0,0,0|2,0,1]=4 1293 B13R0.2 CCOC(=O)CSCCOCCCO 7a_200000230590_100011215043 [0,1,0,0,0,0|2,0,1]=4 1294 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,1,0,0,0,0|2,0,1]=4 1295 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,1,0,0,0,0|2,0,1]=4 1296 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,1,0,0,0,0|2,0,1]=4 1297 B13R0.2 CCOC(=O)CSCCOCCSC 7a_200000230590_100000212216 [0,1,0,0,0,0|2,0,1]=4 1298 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,1,0,0,0,0|2,0,1]=4 1299 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,1,0,0,0,0|2,0,1]=4 1300 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,1,0,0,0,0|2,0,1]=4 1301 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,1,0,0,0,0|2,0,1]=4 1302 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,1,0,0,0,0|2,0,1]=4 1303 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,1,0,0,0,0|2,0,1]=4 1304 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,1,0,0,0,0|2,0,1]=4 1305 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,1,0,0,0,0|2,0,1]=4 1306 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,1,0,0,0,0|2,0,1]=4 1307 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,1,0,0,0,0|2,0,1]=4 1308 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,1,0,0,0,0|2,0,1]=4 1309 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,1,0,0,0,0|2,0,1]=4 1310 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,1,0,0,0,0|2,0,1]=4 1311 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,1,0,0,0,0|2,0,1]=4 1312 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,1,0,0,0,0|2,0,1]=4 1313 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,1,0,0,0,0|0,0,2]=3 1314 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,1,0,0,0,0|1,0,2]=4 1315 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,1,0,0,0,0|1,0,2]=4 1316 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,1,0,0,0,0|1,0,2]=4 1317 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,1,0,0,0,0|1,0,2]=4 1318 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,1,0,0,0,0|1,0,2]=4 1319 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,1,0,0,0,0|1,0,2]=4 1320 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,1,0,0,0,0|2,0,1]=4 1321 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,1,0,0,0,0|1,0,2]=4 1322 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,1,0,0,0,0|1,0,2]=4 1323 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,1,0,0,0,0|1,0,2]=4 1324 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,1,0,0,0,0|1,0,2]=4 1325 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,1,0,0,0,0|1,0,2]=4 1326 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,1,0,0,0,0|1,0,2]=4 1327 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,1,0,0,0,0|1,0,2]=4 1328 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,1,0,0,0,0|1,0,2]=4 1329 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,1,0,0,0,0|1,0,2]=4 1330 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,1,0,0,0,0|2,0,1]=4 1331 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,1,0,0,0,0|2,0,1]=4 1332 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,1,0,0,0,0|1,0,2]=4 1333 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,1,0,0,0,0|1,0,2]=4 1334 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,1,0,0,0,0|1,0,2]=4 1335 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,1,0,0,0,0|1,0,2]=4 1336 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,1,0,0,0,0|2,0,1]=4 1337 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,1,0,0,0,0|1,0,2]=4 1338 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,1,0,0,0,0|1,0,2]=4 1339 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000088970_100000739092 [0,1,0,0,0,0|2,0,1]=4 1340 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000739092_100000088970 [0,1,0,0,0,0|2,0,1]=4 1341 B13R0.66 C=C(COCCCCCC)OCOC 34a_100000210259_100000042856 [0,1,0,0,0,0|2,0,1]=4 1342 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000042856_100000210757 [0,1,0,0,0,0|2,0,1]=4 1343 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000210314_100000042856 [0,1,0,0,0,0|2,0,1]=4 1344 B13R0.66 C=CCOC(=O)CNCCCCCC 2230a_100000210581_100000033060 [0,1,0,0,0,0|1,0,2]=4 1345 B13R0.66 C=CCOC(=O)COCCCCCC 34a_100000210259_100000033060 [0,1,0,0,0,0|1,0,2]=4 1346 B13R0.66 C=CCOC(=O)COCCCCCC 7a_100000210259_100000033060 [0,1,0,0,0,0|1,0,2]=4 1347 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000033060_100000210757 [0,1,0,0,0,0|1,0,2]=4 1348 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000210314_100000033060 [0,1,0,0,0,0|1,0,2]=4 1349 B13R0.66 CCC#CC(=O)CC#CCCCCC 1458a_100011827653_100009816472 [0,1,0,0,0,0|1,0,2]=4 1350 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [0,1,0,0,0,0|1,0,2]=4 1351 B13R0.66 CCC=CC(=O)CC#CCCCCC 1458a_100000212282_100009816472 [0,1,0,0,0,0|1,0,2]=4 1352 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [0,1,0,0,0,0|1,0,2]=4 1353 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [0,1,0,0,0,0|2,0,1]=4 1354 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [0,1,0,0,0,0|2,0,1]=4 1355 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [0,1,0,0,0,0|2,0,1]=4 1356 B13R0.66 CCCCCC#CCC(=O)CCCC 1458a_100000210183_100009816472 [0,1,0,0,0,0|1,0,2]=4 1357 B13R0.66 CCCCCC#CCC(=O)CCOC 1458a_100000749529_100009816472 [0,1,0,0,0,0|1,0,2]=4 1358 B13R0.66 CCCCCC#CCC(=O)CCSC 1458a_100000174002_100009816472 [0,1,0,0,0,0|1,0,2]=4 1359 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [0,1,0,0,0,0|0,0,2]=3 1360 B13R0.66 CCCCCC#CCC(=O)CSCC 1458a_100000230394_100009816472 [0,1,0,0,0,0|0,1,2]=4 1361 B13R0.66 CCCCCC=NNC(=O)COCC 4a_100000216846_100000737632 [0,1,0,0,0,0|2,0,1]=4 1362 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [0,1,0,0,0,0|1,0,2]=4 1363 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [0,1,0,0,0,0|1,0,2]=4 1364 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [0,1,0,0,0,0|1,0,2]=4 1365 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [0,1,0,0,0,0|1,0,2]=4 1366 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [0,1,0,0,0,0|1,0,2]=4 1367 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [0,1,0,0,0,0|1,0,2]=4 1368 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [0,1,0,0,0,0|1,0,2]=4 1369 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [0,1,0,0,0,0|1,0,2]=4 1370 B13R0.66 CCCCCCC=CC(=O)NCCF 11a_100000724931_200015324643 [0,1,0,0,0,0|1,0,2]=4 1371 B13R0.66 CCCCCCC=CC(=O)NCCF 1626a_100000724931_200015324643 [0,1,0,0,0,0|1,0,2]=4 1372 B13R0.66 CCCCCCC=CC(=O)NCCF 240690a_100000724931_200015324643 [0,1,0,0,0,0|1,0,2]=4 1373 B13R0.66 CCCCCCC=CC(=O)NCCO 240690a_100000210304_200015324643 [0,1,0,0,0,0|1,0,2]=4 1374 B13R0.66 CCCCCCC=CC(=O)NNCC 22a_100000756455_200015324643 [0,1,0,0,0,0|1,0,2]=4 1375 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,1,0,0,0,0|1,0,2]=4 1376 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,1,0,0,0,0|1,0,2]=4 1377 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,1,0,0,0,0|1,0,2]=4 1378 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,1,0,0,0,0|1,0,2]=4 1379 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,1,0,0,0,0|1,0,2]=4 1380 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,1,0,0,0,0|1,0,2]=4 1381 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,1,0,0,0,0|1,0,2]=4 1382 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,1,0,0,0,0|1,0,2]=4 1383 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,1,0,0,0,0|0,0,2]=3 1384 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [0,1,0,0,0,0|0,1,2]=4 1385 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [0,1,0,0,0,0|1,0,2]=4 1386 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [0,1,0,0,0,0|1,0,2]=4 1387 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [0,1,0,0,0,0|1,0,2]=4 1388 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [0,1,0,0,0,0|1,0,2]=4 1389 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [0,1,0,0,0,0|1,0,2]=4 1390 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [0,1,0,0,0,0|1,0,2]=4 1391 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [0,1,0,0,0,0|1,0,2]=4 1392 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [0,1,0,0,0,0|1,0,2]=4 1393 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [0,1,0,0,0,0|1,0,2]=4 1394 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [0,1,0,0,0,0|1,0,2]=4 1395 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [0,1,0,0,0,0|1,0,2]=4 1396 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [0,1,0,0,0,0|2,0,1]=4 1397 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [0,1,0,0,0,0|2,0,1]=4 1398 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [0,1,0,0,0,0|2,0,1]=4 1399 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [0,1,0,0,0,0|2,0,1]=4 1400 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,1,0,0,0,0|2,0,1]=4 1401 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,1,0,0,0,0|2,0,1]=4 1402 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,1,0,0,0,0|2,0,1]=4 1403 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,1,0,0,0,0|2,0,1]=4 1404 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [0,1,0,0,0,0|2,0,1]=4 1405 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [0,1,0,0,0,0|2,0,1]=4 1406 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [0,1,0,0,0,0|2,0,1]=4 1407 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [0,1,0,0,0,0|2,0,1]=4 1408 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [0,1,0,0,0,0|1,0,1]=3 1409 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [0,1,0,0,0,0|1,0,1]=3 1410 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [0,1,0,0,0,0|1,0,1]=3 1411 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [0,1,0,0,0,0|1,0,1]=3 1412 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [0,1,0,0,0,0|1,1,1]=4 1413 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [0,1,0,0,0,0|1,1,1]=4 1414 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [0,1,0,0,0,0|1,1,1]=4 1415 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [0,1,0,0,0,0|1,1,1]=4 1416 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [0,1,0,0,0,0|2,0,1]=4 1417 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [0,1,0,0,0,0|2,0,1]=4 1418 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [0,1,0,0,0,0|2,0,1]=4 1419 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [0,1,0,0,0,0|2,0,1]=4 1420 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [0,1,0,0,0,0|2,0,1]=4 1421 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [0,1,0,0,0,0|2,0,1]=4 1422 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [0,1,0,0,0,0|2,0,1]=4 1423 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [0,1,0,0,0,0|2,0,1]=4 1424 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [0,1,0,0,0,0|2,0,1]=4 1425 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [0,1,0,0,0,0|2,0,1]=4 1426 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [0,1,0,0,0,0|2,0,1]=4 1427 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [0,1,0,0,0,0|2,0,1]=4 1428 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [0,1,0,0,0,0|2,0,1]=4 1429 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [0,1,0,0,0,0|2,0,1]=4 1430 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [0,1,0,0,0,0|2,0,1]=4 1431 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [0,1,0,0,0,0|2,0,1]=4 1432 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [0,1,0,0,0,0|2,0,1]=4 1433 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000174927_100000210314 [0,1,0,0,0,0|2,0,1]=4 1434 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000210581_100000183358 [0,1,0,0,0,0|2,0,1]=4 1435 B13R0.66 CCCCCCNCC(=O)NCCF 2230a_100000725713_100000210314 [0,1,0,0,0,0|2,0,1]=4 1436 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,1,0,0,0,0|1,0,1]=3 1437 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [0,1,0,0,0,0|2,0,1]=4 1438 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [0,1,0,0,0,0|2,0,1]=4 1439 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,1,0,0,0,0|1,0,1]=3 1440 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,1,0,0,0,0|1,0,1]=3 1441 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000183358_100000210757 [0,1,0,0,0,0|2,0,1]=4 1442 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000210314_100000183358 [0,1,0,0,0,0|2,0,1]=4 1443 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,1,0,0,0,0|1,0,1]=3 1444 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,1,0,0,0,0|1,0,1]=3 1445 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,1,0,0,0,0|2,0,1]=4 1446 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,1,0,0,0,0|2,0,1]=4 1447 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,1,0,0,0,0|2,0,1]=4 1448 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [0,1,0,0,0,0|2,0,1]=4 1449 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [0,1,0,0,0,0|2,0,1]=4 1450 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [0,1,0,0,0,0|2,0,1]=4 1451 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [0,1,0,0,0,0|2,0,1]=4 1452 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [0,1,0,0,0,0|2,0,1]=4 1453 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [0,1,0,0,0,0|2,0,1]=4 1454 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [0,1,0,0,0,0|2,0,1]=4 1455 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [0,1,0,0,0,0|2,0,1]=4 1456 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [0,1,0,0,0,0|2,0,1]=4 1457 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [0,1,0,0,0,0|2,0,1]=4 1458 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [0,1,0,0,0,0|2,0,1]=4 1459 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [0,1,0,0,0,0|2,0,1]=4 1460 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [0,1,0,0,0,0|2,0,1]=4 1461 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [0,1,0,0,0,0|2,0,1]=4 1462 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [0,1,0,0,0,0|2,0,1]=4 1463 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [0,1,0,0,0,0|2,0,1]=4 1464 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [0,1,0,0,0,0|2,0,1]=4 1465 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [0,1,0,0,0,0|2,0,1]=4 1466 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [0,1,0,0,0,0|2,0,1]=4 1467 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [0,1,0,0,0,0|2,0,1]=4 1468 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [0,1,0,0,0,0|2,0,1]=4 1469 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,1,0,0,0,0|2,0,1]=4 1470 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,1,0,0,0,0|2,0,1]=4 1471 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,1,0,0,0,0|2,0,1]=4 1472 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,1,0,0,0,0|2,0,1]=4 1473 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,1,0,0,0,0|2,0,1]=4 1474 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,1,0,0,0,0|2,0,1]=4 1475 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [0,1,0,0,0,0|2,0,1]=4 1476 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [0,1,0,0,0,0|2,0,1]=4 1477 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [0,1,0,0,0,0|2,0,1]=4 1478 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [0,1,0,0,0,0|2,0,1]=4 1479 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [0,1,0,0,0,0|2,0,1]=4 1480 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [0,1,0,0,0,0|2,0,1]=4 1481 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [0,1,0,0,0,0|2,0,1]=4 1482 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [0,1,0,0,0,0|2,0,1]=4 1483 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [0,1,0,0,0,0|2,0,1]=4 1484 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [0,1,0,0,0,0|2,0,1]=4 1485 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [0,1,0,0,0,0|2,0,1]=4 1486 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [0,1,0,0,0,0|2,0,1]=4 1487 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [0,1,0,0,0,0|2,0,1]=4 1488 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,1,0,0,0,0|2,0,1]=4 1489 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,1,0,0,0,0|2,0,1]=4 1490 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [0,1,0,0,0,0|2,0,1]=4 1491 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [0,1,0,0,0,0|2,0,1]=4 1492 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [0,1,0,0,0,0|1,0,2]=4 1493 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [0,1,0,0,0,0|1,0,2]=4 1494 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [0,1,0,0,0,0|2,0,1]=4 1495 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [0,1,0,0,0,0|2,0,1]=4 1496 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [0,1,0,0,0,0|2,0,1]=4 1497 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [0,1,0,0,0,0|2,0,1]=4 1498 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [0,1,0,0,0,0|2,0,1]=4 1499 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [0,1,0,0,0,0|2,0,1]=4 1500 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [0,1,0,0,0,0|2,0,1]=4 1501 B13R0.87 CCNC(=O)COCCCC(C)CC 7a_100011216074_100000183381 [0,1,0,0,0,0|2,0,1]=4 1502 B13R0.87 CCOC(=O)/C=C/CNCC(C)CC 2230a_100020588543_100016267167 [0,1,0,0,0,0|1,0,2]=4 1503 B13R0.87 CCOC(=O)/C=C/CNCC(O)CC 2230a_100011218483_100016267167 [0,1,0,0,0,0|1,0,2]=4 1504 B13R0.87 CCOC(=O)/C=C/COC[C@@H](C)CC 7a_100009816381_100016267167 [0,1,0,0,0,0|1,0,2]=4 1505 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100000748023_100016267167 [0,1,0,0,0,0|1,0,2]=4 1506 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100016267167_100000748023 [0,1,0,0,0,0|1,0,2]=4 1507 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100011218378_100016267167 [0,1,0,0,0,0|1,0,2]=4 1508 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100016267167_100011218378 [0,1,0,0,0,0|1,0,2]=4 1509 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100009816398_100016267167 [0,1,0,0,0,0|1,0,2]=4 1510 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100016267167_100009816398 [0,1,0,0,0,0|1,0,2]=4 1511 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [0,1,0,0,0,0|0,0,3]=4 1512 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [0,1,0,0,0,0|0,0,3]=4 1513 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [0,1,0,0,0,0|1,0,2]=4 1514 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [0,1,0,0,0,0|1,0,2]=4 1515 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [0,1,0,0,0,0|1,0,2]=4 1516 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [0,1,0,0,0,0|1,0,2]=4 1517 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [0,1,0,0,0,0|1,0,2]=4 1518 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [0,1,0,0,0,0|1,0,2]=4 1519 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [0,1,0,0,0,0|1,0,2]=4 1520 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [0,1,0,0,0,0|1,0,2]=4 1521 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [0,1,0,0,0,0|1,0,2]=4 1522 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [0,1,0,0,0,0|1,0,2]=4 1523 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [0,1,0,0,0,0|1,0,2]=4 1524 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [0,1,0,0,0,0|1,0,2]=4 1525 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [0,1,0,0,0,0|1,0,2]=4 1526 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [0,1,0,0,0,0|1,0,2]=4 1527 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [0,1,0,0,0,0|1,0,2]=4 1528 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [0,1,0,0,0,0|1,0,2]=4 1529 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [0,1,0,0,0,0|1,0,2]=4 1530 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [0,1,0,0,0,0|1,0,2]=4 1531 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [0,1,0,0,0,0|1,0,2]=4 1532 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [0,1,0,0,0,0|1,0,2]=4 1533 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [0,1,0,0,0,0|1,0,2]=4 1534 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [0,1,0,0,0,0|1,0,1]=3 1535 B13R0.87 CCOC(=O)COCCCN(C)CC 2230a_100000225621_100009893628 [0,1,0,0,0,0|2,0,1]=4 1536 B13R0.87 CCOC(=O)COCCCN(C)CC 269982a_100000225621_100009893628 [0,1,0,0,0,0|2,0,1]=4 1537 B13R0.87 CCOC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000188475 [0,1,0,0,0,0|2,0,1]=4 1538 B13R0.87 CCOC(=O)COCCNC(C)CC 2230a_100000209981_100000088970 [0,1,0,0,0,0|2,0,1]=4 1539 B13R0.87 CCOC(=O)COCCOC(C)CC 7a_100000210228_100000088970 [0,1,0,0,0,0|2,0,1]=4 1540 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000088970_100000758301 [0,1,0,0,0,0|2,0,1]=4 1541 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000758301_100000088970 [0,1,0,0,0,0|2,0,1]=4 1542 B13R0.87 CCOC(=O)CSCCCN(C)CC 62a_100000188475_100015186262 [0,1,0,0,0,0|2,0,1]=4 1543 B13R0.87 CCOC(=O)CSCCOC(C)CC 7a_200000230590_100000758301 [0,1,0,0,0,0|2,0,1]=4 1544 B13R0.87 CCOC(=O)NCCOCC(C)CC 34a_100000158857_100000748023 [0,1,0,0,0,0|2,0,1]=4 1545 B13R0.87 CCOC(=O)NCCOCC(O)CC 34a_100000158857_100011218378 [0,1,0,0,0,0|2,0,1]=4 1546 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 34a_100000158857_100009816398 [0,1,0,0,0,0|2,0,1]=4 1547 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 7a_100009816381_200011445536 [0,1,0,0,0,0|2,0,1]=4 1548 B13R0.87 CCOC(=O)NCCSCC(C)CC 62a_100000748023_200011445536 [0,1,0,0,0,0|2,0,1]=4 1549 B13R0.87 CCOC(=O)NCCSCC(O)CC 62a_100011218378_200011445536 [0,1,0,0,0,0|2,0,1]=4 1550 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CC 62a_100009816398_200011445536 [0,1,0,0,0,0|2,0,1]=4 1551 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,1,0,0,0,0|1,0,2]=4 1552 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [0,1,0,0,0,0|2,0,1]=4 1553 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100000747444_100011216152 [0,1,0,0,0,0|2,0,1]=4 1554 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100011216152_100000747444 [0,1,0,0,0,0|2,0,1]=4 1555 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [0,1,0,0,0,0|2,0,1]=4 1556 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [0,1,0,0,0,0|2,0,1]=4 1557 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [0,1,0,0,0,0|2,0,1]=4 1558 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [0,1,0,0,0,0|1,0,2]=4 1559 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [0,1,0,0,0,0|1,0,2]=4 1560 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [0,1,0,0,0,0|1,0,2]=4 1561 B13R0.88 CCNC(=O)CNCCCCC(C)C 2230a_100016988866_100011216152 [0,1,0,0,0,0|2,0,1]=4 1562 B13R0.88 CCNC(=O)COCCCCC(C)C 34a_100011214890_100000183381 [0,1,0,0,0,0|2,0,1]=4 1563 B13R0.88 CCNC(=O)COCCCCC(C)C 7a_100011214890_100000183381 [0,1,0,0,0,0|2,0,1]=4 1564 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100000183381_100011216152 [0,1,0,0,0,0|2,0,1]=4 1565 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100011216152_100000183381 [0,1,0,0,0,0|2,0,1]=4 1566 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [0,1,0,0,0,0|2,0,1]=4 1567 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [0,1,0,0,0,0|2,0,1]=4 1568 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [0,1,0,0,0,0|2,0,1]=4 1569 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [0,1,0,0,0,0|2,0,1]=4 1570 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [0,1,0,0,0,0|2,0,1]=4 1571 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [0,1,0,0,0,0|2,0,1]=4 1572 B13R0.88 CCOC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100016267167 [0,1,0,0,0,0|1,0,2]=4 1573 B13R0.88 CCOC(=O)/C=C/COCCC(C)Br 34a_100009893172_100016267167 [0,1,0,0,0,0|1,0,2]=4 1574 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 34a_100000210254_100016267167 [0,1,0,0,0,0|1,0,2]=4 1575 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 7a_100000210254_100016267167 [0,1,0,0,0,0|1,0,2]=4 1576 B13R0.88 CCOC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100016267167 [0,1,0,0,0,0|1,0,2]=4 1577 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100000210312_100016267167 [0,1,0,0,0,0|1,0,2]=4 1578 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100016267167_100000210312 [0,1,0,0,0,0|1,0,2]=4 1579 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100012276601_100016267167 [0,1,0,0,0,0|1,0,2]=4 1580 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100016267167_100012276601 [0,1,0,0,0,0|1,0,2]=4 1581 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,1,0,0,0,0|0,0,3]=4 1582 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,1,0,0,0,0|0,0,3]=4 1583 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,1,0,0,0,0|0,0,3]=4 1584 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [0,1,0,0,0,0|1,0,2]=4 1585 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [0,1,0,0,0,0|1,0,2]=4 1586 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [0,1,0,0,0,0|1,0,2]=4 1587 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [0,1,0,0,0,0|1,0,2]=4 1588 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [0,1,0,0,0,0|1,0,2]=4 1589 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [0,1,0,0,0,0|1,0,2]=4 1590 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [0,1,0,0,0,0|1,0,2]=4 1591 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [0,1,0,0,0,0|1,0,2]=4 1592 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [0,1,0,0,0,0|1,0,2]=4 1593 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [0,1,0,0,0,0|1,0,2]=4 1594 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [0,1,0,0,0,0|1,0,2]=4 1595 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [0,1,0,0,0,0|1,0,2]=4 1596 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [0,1,0,0,0,0|1,0,2]=4 1597 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [0,1,0,0,0,0|1,0,2]=4 1598 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [0,1,0,0,0,0|1,0,2]=4 1599 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [0,1,0,0,0,0|1,0,2]=4 1600 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [0,1,0,0,0,0|1,0,2]=4 1601 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [0,1,0,0,0,0|1,0,2]=4 1602 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [0,1,0,0,0,0|1,0,2]=4 1603 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [0,1,0,0,0,0|1,0,2]=4 1604 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [0,1,0,0,0,0|1,0,2]=4 1605 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [0,1,0,0,0,0|1,0,2]=4 1606 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [0,1,0,0,0,0|1,0,2]=4 1607 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [0,1,0,0,0,0|1,0,2]=4 1608 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [0,1,0,0,0,0|1,0,2]=4 1609 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [0,1,0,0,0,0|1,0,2]=4 1610 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [0,1,0,0,0,0|1,0,2]=4 1611 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [0,1,0,0,0,0|1,0,2]=4 1612 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [0,1,0,0,0,0|1,0,2]=4 1613 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [0,1,0,0,0,0|1,0,2]=4 1614 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [0,1,0,0,0,0|1,0,2]=4 1615 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [0,1,0,0,0,0|1,0,2]=4 1616 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [0,1,0,0,0,0|1,0,2]=4 1617 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [0,1,0,0,0,0|1,0,2]=4 1618 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [0,1,0,0,0,0|1,0,2]=4 1619 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [0,1,0,0,0,0|1,0,2]=4 1620 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [0,1,0,0,0,0|1,0,2]=4 1621 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [0,1,0,0,0,0|1,0,2]=4 1622 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [0,1,0,0,0,0|1,0,2]=4 1623 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [0,1,0,0,0,0|1,0,2]=4 1624 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [0,1,0,0,0,0|1,0,2]=4 1625 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [0,1,0,0,0,0|1,0,2]=4 1626 B13R0.88 CCOC(=O)CNCCCOC(C)C 2230a_100000737246_100000188475 [0,1,0,0,0,0|2,0,1]=4 1627 B13R0.88 CCOC(=O)CNCCCOC(C)C 34a_100000737246_100000188475 [0,1,0,0,0,0|2,0,1]=4 1628 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [0,1,0,0,0,0|1,0,1]=3 1629 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [0,1,0,0,0,0|1,0,1]=3 1630 B13R0.88 CCOC(=O)COCCCNC(C)C 2230a_100138425928_100009893628 [0,1,0,0,0,0|2,0,1]=4 1631 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100000182298_100000188475 [0,1,0,0,0,0|2,0,1]=4 1632 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100138425928_100009893628 [0,1,0,0,0,0|2,0,1]=4 1633 B13R0.88 CCOC(=O)COCCCOC(C)C 34a_100000212225_100009893628 [0,1,0,0,0,0|2,0,1]=4 1634 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100000210206_100009893628 [0,1,0,0,0,0|2,0,1]=4 1635 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100009893628_100000210206 [0,1,0,0,0,0|2,0,1]=4 1636 B13R0.88 CCOC(=O)COCCNCC(C)C 2230a_100000210953_100000088970 [0,1,0,0,0,0|2,0,1]=4 1637 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100000210953_100000088970 [0,1,0,0,0,0|2,0,1]=4 1638 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100015185251_100000188475 [0,1,0,0,0,0|2,0,1]=4 1639 B13R0.88 CCOC(=O)COCCNCC(C)O 2230a_100000210904_100000088970 [0,1,0,0,0,0|2,0,1]=4 1640 B13R0.88 CCOC(=O)COCCNCC(C)O 34a_100000210904_100000088970 [0,1,0,0,0,0|2,0,1]=4 1641 B13R0.88 CCOC(=O)COCCOCC(C)Br 34a_100012180447_100000088970 [0,1,0,0,0,0|2,0,1]=4 1642 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000210257_100000088970 [0,1,0,0,0,0|2,0,1]=4 1643 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000703358_100000188475 [0,1,0,0,0,0|2,0,1]=4 1644 B13R0.88 CCOC(=O)COCCOCC(C)C 7a_100000703358_100000188475 [0,1,0,0,0,0|2,0,1]=4 1645 B13R0.88 CCOC(=O)COCCOCC(C)F 34a_100015925927_100000088970 [0,1,0,0,0,0|2,0,1]=4 1646 B13R0.88 CCOC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000088970 [0,1,0,0,0,0|2,0,1]=4 1647 B13R0.88 CCOC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000088970 [0,1,0,0,0,0|2,0,1]=4 1648 B13R0.88 CCOC(=O)COCCSCC(C)C 34a_200000230437_100000188475 [0,1,0,0,0,0|2,0,1]=4 1649 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000088970_100000210760 [0,1,0,0,0,0|2,0,1]=4 1650 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000210624_100000088970 [0,1,0,0,0,0|2,0,1]=4 1651 B13R0.88 CCOC(=O)COCCSCC(C)C 7a_200000230437_100000188475 [0,1,0,0,0,0|2,0,1]=4 1652 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100000088970_100011218427 [0,1,0,0,0,0|2,0,1]=4 1653 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100011218427_100000088970 [0,1,0,0,0,0|2,0,1]=4 1654 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100000088970_100009817552 [0,1,0,0,0,0|2,0,1]=4 1655 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000088970 [0,1,0,0,0,0|2,0,1]=4 1656 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000188475_100000735457 [0,1,0,0,0,0|1,0,2]=4 1657 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000735457_100000188475 [0,1,0,0,0,0|1,0,2]=4 1658 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [0,1,0,0,0,0|1,0,1]=3 1659 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [0,1,0,0,0,0|1,0,1]=3 1660 B13R0.88 CCOC(=O)CSCCCCN(C)C 62a_100000188475_100000690147 [0,1,0,0,0,0|2,0,1]=4 1661 B13R0.88 CCOC(=O)CSCCOCC(C)C 7a_200000230590_100000210760 [0,1,0,0,0,0|2,0,1]=4 1662 B13R0.88 CCOC(=O)CSCCOCC(C)O 7a_200000230590_100011218427 [0,1,0,0,0,0|2,0,1]=4 1663 B13R0.88 CCOC(=O)CSCCOC[C@@H](C)O 7a_200000230590_100009817552 [0,1,0,0,0,0|2,0,1]=4 1664 B13R0.88 CCOC(=O)NCCOCCC(C)C 34a_100000158857_100000210312 [0,1,0,0,0,0|2,0,1]=4 1665 B13R0.88 CCOC(=O)NCCOCCC(C)C 7a_100000210254_200011445536 [0,1,0,0,0,0|2,0,1]=4 1666 B13R0.88 CCOC(=O)NCCOCCC(C)O 34a_100000158857_100012276601 [0,1,0,0,0,0|2,0,1]=4 1667 B13R0.88 CCOC(=O)NCCSCCC(C)C 62a_100000210312_200011445536 [0,1,0,0,0,0|2,0,1]=4 1668 B13R0.88 CCOC(=O)NCCSCCC(C)O 62a_100012276601_200011445536 [0,1,0,0,0,0|2,0,1]=4 1669 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [0,1,0,0,0,0|2,0,1]=4 1670 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [0,1,0,0,0,0|2,0,1]=4 1671 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,1,0,0,0,0|0,0,3]=4 1672 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,1,0,0,0,0|0,0,3]=4 1673 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [0,1,0,0,0,0|1,0,2]=4 1674 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [0,1,0,0,0,0|2,0,1]=4 1675 B13R0.175 CCCCC(C)COCC(=O)NCC 34a_100011995851_100000183381 [0,1,0,0,0,0|2,0,1]=4 1676 B13R0.175 CCCCC(C)COCC(=O)NCC 7a_100011995851_100000183381 [0,1,0,0,0,0|2,0,1]=4 1677 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [0,1,0,0,0,0|1,0,1]=3 1678 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [0,1,0,0,0,0|1,0,1]=3 1679 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [0,1,0,0,0,0|1,0,2]=4 1680 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [0,1,0,0,0,0|1,0,2]=4 1681 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [0,1,0,0,0,0|1,0,2]=4 1682 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [0,1,0,0,0,0|1,0,2]=4 1683 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [0,1,0,0,0,0|1,0,2]=4 1684 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [0,1,0,0,0,0|2,0,1]=4 1685 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 2230a_100000207549_100016267167 [0,1,0,0,0,0|1,0,2]=4 1686 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 269982a_100000207549_100016267167 [0,1,0,0,0,0|1,0,2]=4 1687 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [0,1,0,0,0,0|1,0,2]=4 1688 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [0,1,0,0,0,0|1,0,2]=4 1689 B13R0.175 CCCCN(C)CCNC(=O)OCC 269982a_100000207549_200011445536 [0,1,0,0,0,0|2,0,1]=4 1690 B13R0.175 CCCC[C@H](N)COCC(=O)NCC 34a_100011934283_100000183381 [0,1,0,0,0,0|2,0,1]=4 1691 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [0,1,0,0,0,0|1,0,1]=3 1692 B13R0.175 CCCOC(C)CNCC(=O)OCC 2230a_100015185124_100000188475 [0,1,0,0,0,0|2,0,1]=4 1693 B13R0.175 CCCOC(C)CNCC(=O)OCC 34a_100015185124_100000188475 [0,1,0,0,0,0|2,0,1]=4 1694 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000188475 [0,1,0,0,0,0|2,0,1]=4 1695 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000188475 [0,1,0,0,0,0|2,0,1]=4 1696 B13R0.175 CCOC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000188475 [0,1,0,0,0,0|2,0,1]=4 1697 B13R0.175 CCOCC(O)CNCC(=O)OCC 2230a_102515437182_100000188475 [0,1,0,0,0,0|2,0,1]=4 1698 B13R0.175 CCOCC(O)CNCC(=O)OCC 34a_102515437182_100000188475 [0,1,0,0,0,0|2,0,1]=4 1699 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [0,1,0,0,0,0|0,0,3]=4 1700 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,1,0,0,0,0|0,0,3]=4 1701 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,1,0,0,0,0|1,0,2]=4 1702 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,1,0,0,0,0|1,0,2]=4 1703 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,1,0,0,0,0|1,0,2]=4 1704 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [0,1,0,0,0,0|1,0,2]=4 1705 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [0,1,0,0,0,0|1,0,2]=4 1706 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [0,1,0,0,0,0|1,0,2]=4 1707 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [0,1,0,0,0,0|2,0,1]=4 1708 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100000211957_100000183381 [0,1,0,0,0,0|2,0,1]=4 1709 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218191 [0,1,0,0,0,0|2,0,1]=4 1710 B13R0.193 CCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000211708 [0,1,0,0,0,0|2,0,1]=4 1711 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,1,0,0,0,0|1,0,1]=3 1712 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,1,0,0,0,0|2,0,1]=4 1713 B13R0.193 CCCCCC(C)OCC(=O)NCC 34a_100011215632_100000183381 [0,1,0,0,0,0|2,0,1]=4 1714 B13R0.193 CCCCCC(C)OCC(=O)NCC 7a_100011215632_100000183381 [0,1,0,0,0,0|2,0,1]=4 1715 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,1,0,0,0,0|1,0,1]=3 1716 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,1,0,0,0,0|1,0,1]=3 1717 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [0,1,0,0,0,0|2,0,1]=4 1718 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [0,1,0,0,0,0|2,0,1]=4 1719 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218191 [0,1,0,0,0,0|2,0,1]=4 1720 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_200011218191_100000183381 [0,1,0,0,0,0|2,0,1]=4 1721 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,1,0,0,0,0|1,0,1]=3 1722 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,1,0,0,0,0|1,0,1]=3 1723 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [0,1,0,0,0,0|1,0,2]=4 1724 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [0,1,0,0,0,0|1,0,2]=4 1725 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [0,1,0,0,0,0|1,0,2]=4 1726 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [0,1,0,0,0,0|1,0,2]=4 1727 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [0,1,0,0,0,0|1,0,2]=4 1728 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [0,1,0,0,0,0|1,0,2]=4 1729 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,1,0,0,0,0|1,0,2]=4 1730 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,1,0,0,0,0|1,0,2]=4 1731 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [0,1,0,0,0,0|1,0,2]=4 1732 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [0,1,0,0,0,0|1,0,2]=4 1733 B13R0.193 CCOC(=O)COC(C)CCCOC 34a_200011539412_100000188475 [0,1,0,0,0,0|2,0,1]=4 1734 B13R0.193 CCOC(=O)COC(C)CCCOC 7a_200011539412_100000188475 [0,1,0,0,0,0|2,0,1]=4 1735 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [0,1,0,0,0,0|1,0,2]=4 1736 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [0,1,0,0,0,0|1,0,2]=4 1737 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [0,1,0,0,0,0|1,0,2]=4 1738 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [0,1,0,0,0,0|1,0,2]=4 1739 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [0,1,0,0,0,0|1,0,2]=4 1740 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [0,1,0,0,0,0|1,0,2]=4 1741 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [0,1,0,0,0,0|2,0,1]=4 1742 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [0,1,0,0,0,0|2,0,1]=4 1743 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [0,1,0,0,0,0|2,0,1]=4 1744 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [0,1,0,0,0,0|2,0,1]=4 1745 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [0,1,0,0,0,0|2,0,1]=4 1746 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [0,1,0,0,0,0|2,0,1]=4 1747 B13R0.275 CCCCCCNC(=O)C(=O)NCC 1626a_100000210581_200011297158 [0,1,0,0,0,0|2,0,1]=4 1748 B13R0.275 CCCCCCNC(=O)C(=O)NCC 240690a_100000210581_200011297158 [0,1,0,0,0,0|2,0,1]=4 1749 B13R0.275 CCCCCCNC(=O)C(=O)NCC 527a_100000210581_200011297158 [0,1,0,0,0,0|2,0,1]=4 1750 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [0,1,0,0,0,0|1,0,1]=3 1751 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [0,1,0,0,0,0|1,0,1]=3 1752 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [0,1,0,0,0,0|1,0,1]=3 1753 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000210581_100000230173 [0,1,0,0,0,0|2,0,1]=4 1754 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210314 [0,1,0,0,0,0|2,0,1]=4 1755 B13R0.275 CCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210314 [0,1,0,0,0,0|2,0,1]=4 1756 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [0,1,0,0,0,0|1,0,1]=3 1757 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [0,1,0,0,0,0|1,0,1]=3 1758 B13R0.275 CCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210314 [0,1,0,0,0,0|1,1,1]=4 1759 B13R0.275 CCCCCCOC(C)C(=O)NCC 34a_100000210259_100000230173 [0,1,0,0,0,0|2,0,1]=4 1760 B13R0.275 CCCCCCOC(C)C(=O)NCC 7a_100000210259_100000230173 [0,1,0,0,0,0|2,0,1]=4 1761 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [0,1,0,0,0,0|1,0,1]=3 1762 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [0,1,0,0,0,0|1,0,1]=3 1763 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [0,1,0,0,0,0|1,0,1]=3 1764 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [0,1,0,0,0,0|1,0,1]=3 1765 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [0,1,0,0,0,0|1,0,1]=3 1766 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000210314_100000230173 [0,1,0,0,0,0|2,0,1]=4 1767 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210757 [0,1,0,0,0,0|2,0,1]=4 1768 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [0,1,0,0,0,0|1,0,1]=3 1769 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [0,1,0,0,0,0|1,0,1]=3 1770 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [0,1,0,0,0,0|1,0,1]=3 1771 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [0,1,0,0,0,0|1,0,1]=3 1772 B13R0.275 CCCCCNN=C(C)C(=O)OCC 4a_100000694160_100000209952 [0,1,0,0,0,0|2,0,1]=4 1773 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [0,1,0,0,0,0|1,0,2]=4 1774 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [0,1,0,0,0,0|1,0,2]=4 1775 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011216346_100011995733 [0,1,0,0,0,0|2,0,1]=4 1776 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011995733_100011216346 [0,1,0,0,0,0|2,0,1]=4 1777 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100000760018_100011995733 [0,1,0,0,0,0|2,0,1]=4 1778 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100011995733_100000760018 [0,1,0,0,0,0|2,0,1]=4 1779 B13R0.275 CCCOCCNC(=O)C(=O)OCC 1626a_100161115042_100014798877 [0,1,0,0,0,0|2,0,1]=4 1780 B13R0.275 CCCOCCNC(=O)C(=O)OCC 240690a_100161115042_100014798877 [0,1,0,0,0,0|2,0,1]=4 1781 B13R0.275 CCCOCCNC(C)C(=O)OCC 2230a_100161115042_100011215307 [0,1,0,0,0,0|2,0,1]=4 1782 B13R0.275 CCCOCCNC(C)C(=O)OCC 34a_100161115042_100011216346 [0,1,0,0,0,0|2,0,1]=4 1783 B13R0.275 CCCOCCNC(F)C(=O)OCC 2230a_100161115042_100000760018 [0,1,0,0,0,0|2,0,1]=4 1784 B13R0.275 CCCOCCNC(F)C(=O)OCC 34a_100161115042_100000760018 [0,1,0,0,0,0|2,0,1]=4 1785 B13R0.275 CCCOCCOC(C)C(=O)OCC 34a_100000752267_100011216346 [0,1,0,0,0,0|2,0,1]=4 1786 B13R0.275 CCCOCCOC(C)C(=O)OCC 7a_100000752267_100011216346 [0,1,0,0,0,0|2,0,1]=4 1787 B13R0.275 CCCOCCOC(F)C(=O)OCC 34a_100000752267_100000760018 [0,1,0,0,0,0|2,0,1]=4 1788 B13R0.275 CCCOCCOC(F)C(=O)OCC 7a_100000752267_100000040065 [0,1,0,0,0,0|2,0,1]=4 1789 B13R0.275 CCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215938 [0,1,0,0,0,0|2,0,1]=4 1790 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011215938_100011216346 [0,1,0,0,0,0|2,0,1]=4 1791 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011216346_100011215938 [0,1,0,0,0,0|2,0,1]=4 1792 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100000760018_100011215938 [0,1,0,0,0,0|2,0,1]=4 1793 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100011215938_100000760018 [0,1,0,0,0,0|2,0,1]=4 1794 B13R0.275 CCCSCCNC(=O)C(=O)OCC 11a_100020603323_100014798877 [0,1,0,0,0,0|2,0,1]=4 1795 B13R0.275 CCCSCCNC(=O)C(=O)OCC 240690a_100020603323_100014798877 [0,1,0,0,0,0|2,0,1]=4 1796 B13R0.275 CCCSCCNC(C)C(=O)OCC 2230a_100020603323_100011215307 [0,1,0,0,0,0|2,0,1]=4 1797 B13R0.275 CCCSCCNC(F)C(=O)OCC 2230a_100020603323_100000760018 [0,1,0,0,0,0|2,0,1]=4 1798 B13R0.275 CCCSCCOC(C)C(=O)OCC 34a_200000230433_100011216346 [0,1,0,0,0,0|2,0,1]=4 1799 B13R0.275 CCCSCCOC(C)C(=O)OCC 7a_200000230433_100011216346 [0,1,0,0,0,0|2,0,1]=4 1800 B13R0.275 CCCSCCOC(F)C(=O)OCC 34a_200000230433_100000760018 [0,1,0,0,0,0|2,0,1]=4 1801 B13R0.275 CCCSCCOC(F)C(=O)OCC 7a_200000230433_100000040065 [0,1,0,0,0,0|2,0,1]=4 1802 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [0,1,0,0,0,0|1,0,2]=4 1803 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [0,1,0,0,0,0|1,0,2]=4 1804 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [0,1,0,0,0,0|1,0,2]=4 1805 B13R0.275 CCOC(=O)C(=O)NCCCCCO 240690a_100000762737_100014798877 [0,1,0,0,0,0|2,0,1]=4 1806 B13R0.275 CCOC(=O)C(C)NCCCCCO 2230a_100000762737_100011215307 [0,1,0,0,0,0|2,0,1]=4 1807 B13R0.275 CCOC(=O)C(C)NCCCCCO 34a_100000762737_100011216346 [0,1,0,0,0,0|2,0,1]=4 1808 B13R0.275 CCOC(=O)C(C)OCCCCCBr 34a_100000746331_100011216346 [0,1,0,0,0,0|2,0,1]=4 1809 B13R0.275 CCOC(=O)C(C)OCCCCCBr 7a_100000746331_100011216346 [0,1,0,0,0,0|2,0,1]=4 1810 B13R0.275 CCOC(=O)C(C)OCCCCCCl 34a_100000746330_100011216346 [0,1,0,0,0,0|2,0,1]=4 1811 B13R0.275 CCOC(=O)C(C)OCCCCCCl 7a_100000746330_100011216346 [0,1,0,0,0,0|2,0,1]=4 1812 B13R0.275 CCOC(=O)C(C)OCCCCCI 34a_200012148887_100011216346 [0,1,0,0,0,0|2,0,1]=4 1813 B13R0.275 CCOC(=O)C(C)OCCCCCI 7a_200012148887_100011216346 [0,1,0,0,0,0|2,0,1]=4 1814 B13R0.275 CCOC(=O)C(C)OCCCCCN 34a_100000762737_100011216346 [0,1,0,0,0,0|2,0,1]=4 1815 B13R0.275 CCOC(=O)C(C)OCCCCOC 34a_100000740925_100011216346 [0,1,0,0,0,0|2,0,1]=4 1816 B13R0.275 CCOC(=O)C(C)OCCCCSC 34a_100011217163_100011216346 [0,1,0,0,0,0|2,0,1]=4 1817 B13R0.275 CCOC(=O)C(C)OCCCCSC 7a_100011217163_100011216346 [0,1,0,0,0,0|2,0,1]=4 1818 B13R0.275 CCOC(=O)C(C)OCCCSCC 34a_100011216438_100011216346 [0,1,0,0,0,0|2,0,1]=4 1819 B13R0.275 CCOC(=O)C(C)OCCCSCC 7a_100011216438_100011216346 [0,1,0,0,0,0|2,0,1]=4 1820 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100000729378_100011216346 [0,1,0,0,0,0|2,0,1]=4 1821 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100011216346_100000729378 [0,1,0,0,0,0|2,0,1]=4 1822 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100000746330_100011216346 [0,1,0,0,0,0|2,0,1]=4 1823 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100011216346_100000746330 [0,1,0,0,0,0|2,0,1]=4 1824 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100000730899_100011216346 [0,1,0,0,0,0|2,0,1]=4 1825 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100011216346_100000730899 [0,1,0,0,0,0|2,0,1]=4 1826 B13R0.275 CCOC(=O)C(F)NCCCCCO 2230a_100000762737_100000760018 [0,1,0,0,0,0|2,0,1]=4 1827 B13R0.275 CCOC(=O)C(F)NCCCCCO 34a_100000762737_100000760018 [0,1,0,0,0,0|2,0,1]=4 1828 B13R0.275 CCOC(=O)C(F)OCCCCCBr 34a_100000746331_100000760018 [0,1,0,0,0,0|2,0,1]=4 1829 B13R0.275 CCOC(=O)C(F)OCCCCCBr 7a_100000746331_100000040065 [0,1,0,0,0,0|2,0,1]=4 1830 B13R0.275 CCOC(=O)C(F)OCCCCCCl 34a_100000746330_100000760018 [0,1,0,0,0,0|2,0,1]=4 1831 B13R0.275 CCOC(=O)C(F)OCCCCCCl 7a_100000746330_100000040065 [0,1,0,0,0,0|2,0,1]=4 1832 B13R0.275 CCOC(=O)C(F)OCCCCCI 34a_200012148887_100000760018 [0,1,0,0,0,0|2,0,1]=4 1833 B13R0.275 CCOC(=O)C(F)OCCCCCI 7a_200012148887_100000040065 [0,1,0,0,0,0|2,0,1]=4 1834 B13R0.275 CCOC(=O)C(F)OCCCCCN 34a_100000762737_100000760018 [0,1,0,0,0,0|2,0,1]=4 1835 B13R0.275 CCOC(=O)C(F)OCCCCOC 34a_100000740925_100000760018 [0,1,0,0,0,0|2,0,1]=4 1836 B13R0.275 CCOC(=O)C(F)OCCCCSC 34a_100011217163_100000760018 [0,1,0,0,0,0|2,0,1]=4 1837 B13R0.275 CCOC(=O)C(F)OCCCCSC 7a_100011217163_100000040065 [0,1,0,0,0,0|2,0,1]=4 1838 B13R0.275 CCOC(=O)C(F)OCCCSCC 34a_100011216438_100000760018 [0,1,0,0,0,0|2,0,1]=4 1839 B13R0.275 CCOC(=O)C(F)OCCCSCC 7a_100011216438_100000040065 [0,1,0,0,0,0|2,0,1]=4 1840 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000729378_100000760018 [0,1,0,0,0,0|2,0,1]=4 1841 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000760018_100000729378 [0,1,0,0,0,0|2,0,1]=4 1842 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000746330_100000760018 [0,1,0,0,0,0|2,0,1]=4 1843 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000760018_100000746330 [0,1,0,0,0,0|2,0,1]=4 1844 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000730899_100000760018 [0,1,0,0,0,0|2,0,1]=4 1845 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000760018_100000730899 [0,1,0,0,0,0|2,0,1]=4 1846 B13R0.275 CCOC(=O)[C@H](C)OCCCCCF 7a_100000751109_100000729378 [0,1,0,0,0,0|2,0,1]=4 1847 B13R0.275 CCOC(=O)[C@H](C)OCCCCCO 7a_100000751109_100000746330 [0,1,0,0,0,0|2,0,1]=4 1848 B13R0.275 CCOC(=O)[C@H](C)OCCCCOC 7a_100000751109_100000730899 [0,1,0,0,0,0|2,0,1]=4 1849 B13R0.275 CCOCCCNC(=O)C(=O)OCC 11a_100000210961_100014798877 [0,1,0,0,0,0|2,0,1]=4 1850 B13R0.275 CCOCCCNC(=O)C(=O)OCC 1626a_100000210961_100014798877 [0,1,0,0,0,0|2,0,1]=4 1851 B13R0.275 CCOCCCNC(=O)C(=O)OCC 240690a_100000210961_100014798877 [0,1,0,0,0,0|2,0,1]=4 1852 B13R0.275 CCOCCCNC(C)C(=O)OCC 2230a_100000210961_100011215307 [0,1,0,0,0,0|2,0,1]=4 1853 B13R0.275 CCOCCCNC(C)C(=O)OCC 34a_100000210961_100011216346 [0,1,0,0,0,0|2,0,1]=4 1854 B13R0.275 CCOCCCNC(F)C(=O)OCC 2230a_100000210961_100000760018 [0,1,0,0,0,0|2,0,1]=4 1855 B13R0.275 CCOCCCNC(F)C(=O)OCC 34a_100000210961_100000760018 [0,1,0,0,0,0|2,0,1]=4 1856 B13R0.275 CCOCCCOC(C)C(=O)OCC 34a_100000757476_100011216346 [0,1,0,0,0,0|2,0,1]=4 1857 B13R0.275 CCOCCCOC(C)C(=O)OCC 7a_100000757476_100011216346 [0,1,0,0,0,0|2,0,1]=4 1858 B13R0.275 CCOCCCOC(F)C(=O)OCC 34a_100000757476_100000760018 [0,1,0,0,0,0|2,0,1]=4 1859 B13R0.275 CCOCCCOC(F)C(=O)OCC 7a_100000757476_100000040065 [0,1,0,0,0,0|2,0,1]=4 1860 B13R0.275 CCOCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012232248 [0,1,0,0,0,0|2,0,1]=4 1861 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100011216346_100012232248 [0,1,0,0,0,0|2,0,1]=4 1862 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100012232248_100011216346 [0,1,0,0,0,0|2,0,1]=4 1863 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100000760018_100012232248 [0,1,0,0,0,0|2,0,1]=4 1864 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100012232248_100000760018 [0,1,0,0,0,0|2,0,1]=4 1865 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,1,0,0,0,0|1,0,2]=4 1866 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,1,0,0,0,0|1,0,2]=4 1867 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,1,0,0,0,0|0,0,2]=3 1868 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,1,0,0,0,0|0,0,2]=3 1869 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [0,1,0,0,0,0|2,0,1]=4 1870 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [0,1,0,0,0,0|2,0,1]=4 1871 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [0,1,0,0,0,0|2,0,1]=4 1872 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [0,1,0,0,0,0|2,0,1]=4 1873 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [0,1,0,0,0,0|2,0,1]=4 1874 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [0,1,0,0,0,0|2,0,1]=4 1875 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [0,1,0,0,0,0|2,0,1]=4 1876 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [0,1,0,0,0,0|2,0,1]=4 1877 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [0,1,0,0,0,0|2,0,1]=4 1878 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [0,1,0,0,0,0|2,0,1]=4 1879 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [0,1,0,0,0,0|2,0,1]=4 1880 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [0,1,0,0,0,0|2,0,1]=4 1881 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210314 [0,1,0,0,0,0|2,0,1]=4 1882 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_106256046315_100000183381 [0,1,0,0,0,0|2,0,1]=4 1883 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210757 [0,1,0,0,0,0|2,0,1]=4 1884 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_106256046315_100000183381 [0,1,0,0,0,0|2,0,1]=4 1885 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,1,0,0,0,0|1,0,1]=3 1886 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,1,0,0,0,0|1,0,1]=3 1887 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,1,0,0,0,0|1,0,1]=3 1888 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,1,0,0,0,0|1,0,2]=4 1889 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [0,1,0,0,0,0|1,0,2]=4 1890 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [0,1,0,0,0,0|1,0,2]=4 1891 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [0,1,0,0,0,0|1,0,2]=4 1892 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [0,1,0,0,0,0|1,0,2]=4 1893 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [0,1,0,0,0,0|1,0,2]=4 1894 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [0,1,0,0,0,0|2,0,1]=4 1895 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [0,1,0,0,0,0|2,0,1]=4 1896 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [0,1,0,0,0,0|1,0,2]=4 1897 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [0,1,0,0,0,0|1,0,2]=4 1898 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [0,1,0,0,0,0|2,0,1]=4 1899 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [0,1,0,0,0,0|1,0,2]=4 1900 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [0,1,0,0,0,0|1,0,2]=4 1901 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [0,1,0,0,0,0|1,0,2]=4 1902 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,1,0,0,0,0|1,0,2]=4 1903 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,1,0,0,0,0|1,0,2]=4 1904 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [0,1,0,0,0,0|2,0,1]=4 1905 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [0,1,0,0,0,0|2,0,1]=4 1906 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [0,1,0,0,0,0|1,0,2]=4 1907 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [0,1,0,0,0,0|1,0,2]=4 1908 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [0,1,0,0,0,0|1,0,2]=4 1909 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [0,1,0,0,0,0|1,0,2]=4 1910 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,1,0,0,0,0|1,0,2]=4 1911 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,1,0,0,0,0|1,0,2]=4 1912 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,1,0,0,0,0|1,0,2]=4 1913 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [0,1,0,0,0,0|2,0,1]=4 1914 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [0,1,0,0,0,0|1,0,2]=4 1915 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [0,1,0,0,0,0|1,0,2]=4 1916 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,1,0,0,0,0|1,0,2]=4 1917 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [0,1,0,0,0,0|2,0,1]=4 1918 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,1,0,0,0,0|1,0,2]=4 1919 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,1,0,0,0,0|1,0,2]=4 1920 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,1,0,0,0,0|1,0,2]=4 1921 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,1,0,0,0,0|1,0,2]=4 1922 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [0,1,0,0,0,0|2,0,1]=4 1923 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [0,1,0,0,0,0|2,0,1]=4 1924 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [0,1,0,0,0,0|2,0,1]=4 1925 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [0,1,0,0,0,0|2,0,1]=4 1926 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [0,1,0,0,0,0|2,0,1]=4 1927 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,1,0,0,0,0|1,0,2]=4 1928 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [0,1,0,0,0,0|2,0,1]=4 1929 B13R0.335 CC(C)OC(=O)CNCCCCCO 2230a_100000762737_100011215430 [0,1,0,0,0,0|2,0,1]=4 1930 B13R0.335 CC(C)OC(=O)CNCCCCCO 34a_100000762737_100011215430 [0,1,0,0,0,0|2,0,1]=4 1931 B13R0.335 CC(C)OC(=O)COCCCCCBr 34a_100000746331_100011215430 [0,1,0,0,0,0|2,0,1]=4 1932 B13R0.335 CC(C)OC(=O)COCCCCCBr 7a_100000746331_100011215430 [0,1,0,0,0,0|2,0,1]=4 1933 B13R0.335 CC(C)OC(=O)COCCCCCCl 34a_100000746330_100011215430 [0,1,0,0,0,0|2,0,1]=4 1934 B13R0.335 CC(C)OC(=O)COCCCCCCl 7a_100000746330_100011215430 [0,1,0,0,0,0|2,0,1]=4 1935 B13R0.335 CC(C)OC(=O)COCCCCCI 34a_200012148887_100011215430 [0,1,0,0,0,0|2,0,1]=4 1936 B13R0.335 CC(C)OC(=O)COCCCCCI 7a_200012148887_100011215430 [0,1,0,0,0,0|2,0,1]=4 1937 B13R0.335 CC(C)OC(=O)COCCCCCN 34a_100000762737_100011215430 [0,1,0,0,0,0|2,0,1]=4 1938 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100000729378_100011215430 [0,1,0,0,0,0|2,0,1]=4 1939 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100011215430_100000729378 [0,1,0,0,0,0|2,0,1]=4 1940 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100000746330_100011215430 [0,1,0,0,0,0|2,0,1]=4 1941 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100011215430_100000746330 [0,1,0,0,0,0|2,0,1]=4 1942 B13R0.335 CCCCCC#CCC(=O)CC(C)C 1458a_100000210554_100009816472 [0,1,0,0,0,0|1,0,2]=4 1943 B13R0.335 CCCCCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009816472 [0,1,0,0,0,0|1,0,2]=4 1944 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [0,1,0,0,0,0|1,0,2]=4 1945 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [0,1,0,0,0,0|1,0,2]=4 1946 B13R0.335 CCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015324643 [0,1,0,0,0,0|1,0,2]=4 1947 B13R0.335 CCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015324643 [0,1,0,0,0,0|1,0,2]=4 1948 B13R0.335 CCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015324643 [0,1,0,0,0,0|1,0,2]=4 1949 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,1,0,0,0,0|1,0,2]=4 1950 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,1,0,0,0,0|1,0,2]=4 1951 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,1,0,0,0,0|1,0,2]=4 1952 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,1,0,0,0,0|1,0,2]=4 1953 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [0,1,0,0,0,0|1,0,2]=4 1954 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [0,1,0,0,0,0|1,0,2]=4 1955 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [0,1,0,0,0,0|1,0,2]=4 1956 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [0,1,0,0,0,0|1,0,2]=4 1957 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [0,1,0,0,0,0|2,0,1]=4 1958 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [0,1,0,0,0,0|2,0,1]=4 1959 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [0,1,0,0,0,0|2,0,1]=4 1960 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [0,1,0,0,0,0|2,0,1]=4 1961 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [0,1,0,0,0,0|2,0,1]=4 1962 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [0,1,0,0,0,0|2,0,1]=4 1963 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [0,1,0,0,0,0|2,0,1]=4 1964 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [0,1,0,0,0,0|2,0,1]=4 1965 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [0,1,0,0,0,0|2,0,1]=4 1966 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [0,1,0,0,0,0|2,0,1]=4 1967 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210314 [0,1,0,0,0,0|2,0,1]=4 1968 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000210581_100000183996 [0,1,0,0,0,0|2,0,1]=4 1969 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [0,1,0,0,0,0|1,0,1]=3 1970 B13R0.335 CCCCCCOCC(=O)NC(C)C 34a_100000210259_100000183996 [0,1,0,0,0,0|2,0,1]=4 1971 B13R0.335 CCCCCCOCC(=O)NC(C)C 7a_100000210259_100000183996 [0,1,0,0,0,0|2,0,1]=4 1972 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [0,1,0,0,0,0|1,0,1]=3 1973 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [0,1,0,0,0,0|1,0,1]=3 1974 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210757 [0,1,0,0,0,0|2,0,1]=4 1975 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000210314_100000183996 [0,1,0,0,0,0|2,0,1]=4 1976 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [0,1,0,0,0,0|1,0,1]=3 1977 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [0,1,0,0,0,0|1,0,1]=3 1978 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [0,1,0,0,0,0|1,0,2]=4 1979 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [0,1,0,0,0,0|1,0,2]=4 1980 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [0,1,0,0,0,0|1,0,2]=4 1981 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [0,1,0,0,0,0|1,0,2]=4 1982 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [0,1,0,0,0,0|2,0,1]=4 1983 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [0,1,0,0,0,0|2,0,1]=4 1984 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011215430_100011995733 [0,1,0,0,0,0|2,0,1]=4 1985 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011995733_100011215430 [0,1,0,0,0,0|2,0,1]=4 1986 B13R0.335 CCCOCCNCC(=O)OC(C)C 2230a_100161115042_100011215430 [0,1,0,0,0,0|2,0,1]=4 1987 B13R0.335 CCCOCCNCC(=O)OC(C)C 34a_100161115042_100011215430 [0,1,0,0,0,0|2,0,1]=4 1988 B13R0.335 CCCOCCOCC(=O)OC(C)C 34a_100000752267_100011215430 [0,1,0,0,0,0|2,0,1]=4 1989 B13R0.335 CCCOCCOCC(=O)OC(C)C 7a_100000752267_100011215430 [0,1,0,0,0,0|2,0,1]=4 1990 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215430_100011215938 [0,1,0,0,0,0|2,0,1]=4 1991 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215938_100011215430 [0,1,0,0,0,0|2,0,1]=4 1992 B13R0.335 CCCSCCNCC(=O)OC(C)C 2230a_100020603323_100011215430 [0,1,0,0,0,0|2,0,1]=4 1993 B13R0.335 CCCSCCOCC(=O)OC(C)C 34a_200000230433_100011215430 [0,1,0,0,0,0|2,0,1]=4 1994 B13R0.335 CCCSCCOCC(=O)OC(C)C 7a_200000230433_100011215430 [0,1,0,0,0,0|2,0,1]=4 1995 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [0,1,0,0,0,0|1,0,2]=4 1996 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [0,1,0,0,0,0|1,0,2]=4 1997 B13R0.335 CCOCCCNCC(=O)OC(C)C 2230a_100000210961_100011215430 [0,1,0,0,0,0|2,0,1]=4 1998 B13R0.335 CCOCCCNCC(=O)OC(C)C 34a_100000210961_100011215430 [0,1,0,0,0,0|2,0,1]=4 1999 B13R0.335 CCOCCCOCC(=O)OC(C)C 34a_100000757476_100011215430 [0,1,0,0,0,0|2,0,1]=4 2000 B13R0.335 CCOCCCOCC(=O)OC(C)C 7a_100000757476_100011215430 [0,1,0,0,0,0|2,0,1]=4 2001 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100011215430_100012232248 [0,1,0,0,0,0|2,0,1]=4 2002 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100012232248_100011215430 [0,1,0,0,0,0|2,0,1]=4 2003 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [0,1,0,0,0,0|1,0,2]=4 2004 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [0,1,0,0,0,0|1,0,2]=4 2005 B13R0.335 CCSCCCOCC(=O)OC(C)C 34a_100011216438_100011215430 [0,1,0,0,0,0|2,0,1]=4 2006 B13R0.335 CCSCCCOCC(=O)OC(C)C 7a_100011216438_100011215430 [0,1,0,0,0,0|2,0,1]=4 2007 B13R0.335 COCCCCOCC(=O)OC(C)C 34a_100000740925_100011215430 [0,1,0,0,0,0|2,0,1]=4 2008 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100000730899_100011215430 [0,1,0,0,0,0|2,0,1]=4 2009 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100011215430_100000730899 [0,1,0,0,0,0|2,0,1]=4 2010 B13R0.335 CSCCCCOCC(=O)OC(C)C 34a_100011217163_100011215430 [0,1,0,0,0,0|2,0,1]=4 2011 B13R0.335 CSCCCCOCC(=O)OC(C)C 7a_100011217163_100011215430 [0,1,0,0,0,0|2,0,1]=4 2012 B13R0.340 CCCCCC#CCC(=O)C(C)CC 1458a_100011192722_100009816472 [0,1,0,0,0,0|1,0,2]=4 2013 B13R0.340 CCCCCC#CCC(=O)C(O)CC 1458a_100011196387_100009816472 [0,1,0,0,0,0|1,0,2]=4 2014 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [0,1,0,0,0,0|1,0,2]=4 2015 B13R0.340 CCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015324643 [0,1,0,0,0,0|1,0,2]=4 2016 B13R0.340 CCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015324643 [0,1,0,0,0,0|1,0,2]=4 2017 B13R0.340 CCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015324643 [0,1,0,0,0,0|1,0,2]=4 2018 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [0,1,0,0,0,0|1,0,2]=4 2019 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [0,1,0,0,0,0|1,0,2]=4 2020 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [0,1,0,0,0,0|1,0,2]=4 2021 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [0,1,0,0,0,0|1,0,2]=4 2022 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [0,1,0,0,0,0|1,0,2]=4 2023 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [0,1,0,0,0,0|1,0,2]=4 2024 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [0,1,0,0,0,0|1,0,2]=4 2025 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [0,1,0,0,0,0|2,0,1]=4 2026 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [0,1,0,0,0,0|2,0,1]=4 2027 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [0,1,0,0,0,0|2,0,1]=4 2028 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [0,1,0,0,0,0|2,0,1]=4 2029 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [0,1,0,0,0,0|2,0,1]=4 2030 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [0,1,0,0,0,0|2,0,1]=4 2031 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [0,1,0,0,0,0|2,0,1]=4 2032 B13R0.340 CCCCCCNCC(=O)N(C)CC 2230a_100000210581_100000738999 [0,1,0,0,0,0|2,0,1]=4 2033 B13R0.340 CCCCCCOCC(=O)N(C)CC 34a_100000210259_100000738999 [0,1,0,0,0,0|2,0,1]=4 2034 B13R0.340 CCCCCCOCC(=O)N(C)CC 7a_100000210259_100000738999 [0,1,0,0,0,0|2,0,1]=4 2035 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000210314_100000738999 [0,1,0,0,0,0|2,0,1]=4 2036 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210757 [0,1,0,0,0,0|2,0,1]=4 2037 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,1,0,0,0,0|0,0,3]=4 2038 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,1,0,0,0,0|0,0,3]=4 2039 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,1,0,0,0,0|1,0,2]=4 2040 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [0,1,0,0,0,0|2,0,1]=4 2041 B13R0.367 CCCC(C)CCOCC(=O)NCC 34a_100011217855_100000183381 [0,1,0,0,0,0|2,0,1]=4 2042 B13R0.367 CCCC(C)CCOCC(=O)NCC 7a_100011217855_100000183381 [0,1,0,0,0,0|2,0,1]=4 2043 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [0,1,0,0,0,0|1,0,1]=3 2044 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [0,1,0,0,0,0|1,0,1]=3 2045 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [0,1,0,0,0,0|1,0,2]=4 2046 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [0,1,0,0,0,0|1,0,2]=4 2047 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [0,1,0,0,0,0|1,0,2]=4 2048 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [0,1,0,0,0,0|1,0,2]=4 2049 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [0,1,0,0,0,0|2,0,1]=4 2050 B13R0.367 CCCC(C)NC/C=C/C(=O)OCC 2230a_100000741246_100016267167 [0,1,0,0,0,0|1,0,2]=4 2051 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [0,1,0,0,0,0|1,0,2]=4 2052 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 34a_100000764384_100016267167 [0,1,0,0,0,0|1,0,2]=4 2053 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 7a_100000764384_100016267167 [0,1,0,0,0,0|1,0,2]=4 2054 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [0,1,0,0,0,0|1,0,2]=4 2055 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [0,1,0,0,0,0|1,0,2]=4 2056 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [0,1,0,0,0,0|1,0,2]=4 2057 B13R0.367 CCCC(C)OCCNC(=O)OCC 34a_100000158857_100000766640 [0,1,0,0,0,0|2,0,1]=4 2058 B13R0.367 CCCC(C)OCCNC(=O)OCC 7a_100000764384_200011445536 [0,1,0,0,0,0|2,0,1]=4 2059 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100000766640_100016267167 [0,1,0,0,0,0|1,0,2]=4 2060 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_100000766640 [0,1,0,0,0,0|1,0,2]=4 2061 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [0,1,0,0,0,0|1,0,2]=4 2062 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [0,1,0,0,0,0|1,0,2]=4 2063 B13R0.367 CCCC(C)SCCNC(=O)OCC 62a_100000766640_200011445536 [0,1,0,0,0,0|2,0,1]=4 2064 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [0,1,0,0,0,0|1,0,2]=4 2065 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [0,1,0,0,0,0|1,0,2]=4 2066 B13R0.367 CCCN(C)CCOCC(=O)OCC 2230a_100000747261_100000088970 [0,1,0,0,0,0|2,0,1]=4 2067 B13R0.367 CCCN(C)CCOCC(=O)OCC 269982a_100000747261_100000088970 [0,1,0,0,0,0|2,0,1]=4 2068 B13R0.367 CCC[C@H](N)CCOCC(=O)NCC 34a_100015193777_100000183381 [0,1,0,0,0,0|2,0,1]=4 2069 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [0,1,0,0,0,0|1,0,1]=3 2070 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [0,1,0,0,0,0|1,0,2]=4 2071 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,0,0,1,0,0|2,0,1]=4 2072 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,0,0,1,0,0|1,0,1]=3 2073 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,0,0,1,0,0|2,0,1]=4 2074 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,0,0,1,0,0|2,0,1]=4 2075 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,0,0,1,0,0|2,0,1]=4 2076 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,0,0,1,0,0|2,0,1]=4 2077 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,0,0,1,0,0|2,0,1]=4 2078 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,0,0,1,0,0|2,0,1]=4 2079 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [0,0,0,1,0,0|1,0,2]=4 2080 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,0,0,1,0,0|1,0,2]=4 2081 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,0,0,1,0,0|1,0,2]=4 2082 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [0,0,0,1,0,0|2,0,1]=4 2083 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [0,0,0,1,0,0|2,0,1]=4 2084 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [0,0,0,1,0,0|2,0,1]=4 2085 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [0,0,0,1,0,0|2,0,1]=4 2086 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [0,0,0,1,0,0|2,0,1]=4 2087 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [0,0,0,1,0,0|2,0,1]=4 2088 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [0,0,0,1,0,0|2,0,1]=4 2089 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [0,0,0,1,0,0|2,0,1]=4 2090 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [0,0,0,1,0,0|2,0,1]=4 2091 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [0,0,0,1,0,0|2,0,1]=4 2092 B13R1.42 CCCC(=O)NNC1CCCCC1 22a_100000709804_100000211992 [0,0,0,1,0,0|3,0,0]=4 2093 B13R1.42 CCNC(=O)C=CC1CCCCC1 11a_100015525214_100102566626 [0,0,0,1,0,0|1,0,2]=4 2094 B13R1.42 CCNC(=O)C=CC1CCCCC1 240690a_100015525214_100102566626 [0,0,0,1,0,0|1,0,2]=4 2095 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,0,0,1,0,0|1,0,2]=4 2096 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,0,0,1,0,0|1,0,2]=4 2097 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,0,0,1,0,0|1,0,2]=4 2098 B13R1.42 CCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183381 [0,0,0,1,0,0|2,0,1]=4 2099 B13R1.42 CCNC(=O)CNC1CCCCC1 270004a_100016988866_100000210434 [0,0,0,1,0,0|2,0,1]=4 2100 B13R1.42 CCNC(=O)CNC1CCCCC1 34a_100000182618_100000183381 [0,0,0,1,0,0|2,0,1]=4 2101 B13R1.42 CCNC(=O)COC1CCCCC1 11a_100015525214_100011223303 [0,0,0,1,0,0|2,0,1]=4 2102 B13R1.42 CCNC(=O)COC1CCCCC1 240690a_100015525214_100011223303 [0,0,0,1,0,0|2,0,1]=4 2103 B13R1.42 CCNC(=O)COC1CCCCC1 34a_100000210231_100000183381 [0,0,0,1,0,0|2,0,1]=4 2104 B13R1.42 CCNC(=O)COC1CCCCC1 527a_100015525214_100011223303 [0,0,0,1,0,0|2,0,1]=4 2105 B13R1.42 CCNC(=O)COC1CCCCC1 7a_100000210231_100000183381 [0,0,0,1,0,0|2,0,1]=4 2106 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000183381_100000210327 [0,0,0,1,0,0|2,0,1]=4 2107 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000210327_100000183381 [0,0,0,1,0,0|2,0,1]=4 2108 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [0,0,0,1,0,0|2,0,1]=4 2109 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [0,0,0,1,0,0|2,0,1]=4 2110 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [0,0,0,1,0,0|2,0,1]=4 2111 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [0,0,0,1,0,0|2,0,1]=4 2112 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [0,0,0,1,0,0|2,0,1]=4 2113 B13R1.42 CCNC(=O)NNC1CCCCC1 273464a_100015525214_100000709804 [0,0,0,1,0,0|3,0,0]=4 2114 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [0,0,0,1,0,0|1,0,1]=3 2115 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [0,0,0,1,0,0|1,0,1]=3 2116 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [0,0,0,1,0,0|2,0,1]=4 2117 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [0,0,0,1,0,0|2,0,1]=4 2118 B13R1.42 CCOC(=O)CNC1CCOCC1 2230a_100000741149_100000188475 [0,0,0,1,0,0|2,0,1]=4 2119 B13R1.42 CCOC(=O)CNC1CCOCC1 34a_100000741149_100000188475 [0,0,0,1,0,0|2,0,1]=4 2120 B13R1.42 CCOC(=O)CNC1CCSCC1 2230a_100000748639_100000188475 [0,0,0,1,0,0|2,0,1]=4 2121 B13R1.42 CCOC(=O)CNC1CCSCC1 34a_100000748639_100000188475 [0,0,0,1,0,0|2,0,1]=4 2122 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [0,0,0,1,0,0|1,0,1]=3 2123 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [0,0,0,1,0,0|1,0,1]=3 2124 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [0,0,0,1,0,0|2,0,1]=4 2125 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [0,0,0,1,0,0|2,0,1]=4 2126 B13R1.42 CCOC(=O)COC1CCCSC1 7a_100015962668_100000188475 [0,0,0,1,0,0|2,0,1]=4 2127 B13R1.42 CCOC(=O)COC1CCOCC1 34a_100000744328_100000188475 [0,0,0,1,0,0|2,0,1]=4 2128 B13R1.42 CCOC(=O)COC1CCSCC1 34a_100000731022_100000188475 [0,0,0,1,0,0|2,0,1]=4 2129 B13R1.42 CCOC(=O)COC1CCSCC1 7a_100000731022_100000188475 [0,0,0,1,0,0|2,0,1]=4 2130 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [0,0,0,1,0,0|1,0,1]=3 2131 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [0,0,0,1,0,0|1,0,1]=3 2132 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [0,0,0,1,0,0|2,0,1]=4 2133 B13R1.42 CCOC(=O)CSC1CCOCC1 62a_100000188475_100011324220 [0,0,0,1,0,0|2,0,1]=4 2134 B13R1.42 CCOC(=O)CSC1CCSCC1 62a_100000188475_100000069128 [0,0,0,1,0,0|2,0,1]=4 2135 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [0,0,0,1,0,0|1,0,2]=4 2136 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [0,0,0,1,0,0|1,0,2]=4 2137 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [0,0,0,1,0,0|1,0,2]=4 2138 B13R1.223 CCOC(=O)CN1CCC1COC 2230a_100015195929_100000188475 [0,0,0,1,0,0|2,0,1]=4 2139 B13R1.223 CCOC(=O)CN1CCC1COC 269982a_100015195929_100000188475 [0,0,0,1,0,0|2,0,1]=4 2140 B13R1.223 CCOC(=O)CN1CCC1COC 34a_100015195929_100000188475 [0,0,0,1,0,0|2,0,1]=4 2141 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,0,0,1,0,0|1,0,2]=4 2142 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [0,0,0,1,0,0|2,0,1]=4 2143 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [0,0,0,1,0,0|2,0,1]=4 2144 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [0,0,0,1,0,0|2,0,1]=4 2145 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [0,0,0,1,0,0|2,0,1]=4 2146 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [0,0,0,1,0,0|2,0,1]=4 2147 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [0,0,0,1,0,0|2,0,1]=4 2148 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [0,0,0,1,0,0|2,0,1]=4 2149 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [0,0,0,1,0,0|2,0,1]=4 2150 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183381 [0,0,0,1,0,0|2,0,1]=4 2151 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100016988866_100000740388 [0,0,0,1,0,0|2,0,1]=4 2152 B13R1.404 CCNC(=O)CNCC1CCCC1 34a_100000737975_100000183381 [0,0,0,1,0,0|2,0,1]=4 2153 B13R1.404 CCNC(=O)COCC1CCCC1 34a_100000742336_100000183381 [0,0,0,1,0,0|2,0,1]=4 2154 B13R1.404 CCNC(=O)COCC1CCCC1 7a_100000742336_100000183381 [0,0,0,1,0,0|2,0,1]=4 2155 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000183381_100000740388 [0,0,0,1,0,0|2,0,1]=4 2156 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000740388_100000183381 [0,0,0,1,0,0|2,0,1]=4 2157 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [0,0,0,1,0,0|2,0,1]=4 2158 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [0,0,0,1,0,0|2,0,1]=4 2159 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [0,0,0,1,0,0|2,0,1]=4 2160 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [0,0,0,1,0,0|2,0,1]=4 2161 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [0,0,0,1,0,0|2,0,1]=4 2162 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [0,0,0,1,0,0|2,0,1]=4 2163 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 2230a_100000188435_100016267167 [0,0,0,1,0,0|1,0,2]=4 2164 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 269982a_100000188435_100016267167 [0,0,0,1,0,0|1,0,2]=4 2165 B13R1.404 CCOC(=O)C=NNC1CCCC1 4a_100000737850_100000742314 [0,0,0,1,0,0|2,0,1]=4 2166 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [0,0,0,1,0,0|1,0,2]=4 2167 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [0,0,0,1,0,0|1,0,2]=4 2168 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [0,0,0,1,0,0|1,0,2]=4 2169 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [0,0,0,1,0,0|1,0,2]=4 2170 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [0,0,0,1,0,0|1,0,2]=4 2171 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [0,0,0,1,0,0|1,0,2]=4 2172 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [0,0,0,1,0,0|1,0,2]=4 2173 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [0,0,0,1,0,0|1,0,2]=4 2174 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [0,0,0,1,0,0|1,0,1]=3 2175 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [0,0,0,1,0,0|1,0,1]=3 2176 B13R1.404 CCOC(=O)CNCC1CCOC1 2230a_100000737293_100000188475 [0,0,0,1,0,0|2,0,1]=4 2177 B13R1.404 CCOC(=O)CNCC1CCOC1 34a_100000737293_100000188475 [0,0,0,1,0,0|2,0,1]=4 2178 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [0,0,0,1,0,0|2,0,1]=4 2179 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [0,0,0,1,0,0|2,0,1]=4 2180 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [0,0,0,1,0,0|1,0,1]=3 2181 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [0,0,0,1,0,0|1,0,1]=3 2182 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [0,0,0,1,0,0|2,0,1]=4 2183 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [0,0,0,1,0,0|2,0,1]=4 2184 B13R1.404 CCOC(=O)COCC1CCNC1 34a_100000748654_100000188475 [0,0,0,1,0,0|2,0,1]=4 2185 B13R1.404 CCOC(=O)COCC1CCOC1 34a_100000740260_100000188475 [0,0,0,1,0,0|2,0,1]=4 2186 B13R1.404 CCOC(=O)COC[C@H]1CCCN1 34a_100000745186_100000188475 [0,0,0,1,0,0|2,0,1]=4 2187 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [0,0,0,1,0,0|1,0,1]=3 2188 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [0,0,0,1,0,0|1,0,1]=3 2189 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [0,0,0,1,0,0|2,0,1]=4 2190 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [0,0,0,1,0,0|2,0,1]=4 2191 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000188475_100000702531 [0,0,0,1,0,0|2,0,1]=4 2192 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000702531_100000188475 [0,0,0,1,0,0|2,0,1]=4 2193 B13R1.404 CCOC(=O)NCCN1CCCC1 269982a_100000188435_200011445536 [0,0,0,1,0,0|2,0,1]=4 2194 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [0,0,0,1,0,0|2,0,1]=4 2195 B13R1.443 CCCC(=O)CN1CCCC1CC 2230a_100000754278_100000747444 [0,0,0,1,0,0|2,0,1]=4 2196 B13R1.443 CCCC(=O)CN1CCCC1CC 269982a_100000754278_100000747444 [0,0,0,1,0,0|2,0,1]=4 2197 B13R1.443 CCNC(=O)CN1CCCC1CC 2230a_100000754278_100000183381 [0,0,0,1,0,0|2,0,1]=4 2198 B13R1.443 CCNC(=O)CN1CCCC1CC 269982a_100000754278_100000183381 [0,0,0,1,0,0|2,0,1]=4 2199 B13R1.443 CCNC(=O)CN1CCCC1CC 34a_100000754278_100000183381 [0,0,0,1,0,0|2,0,1]=4 2200 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [0,0,0,1,0,0|1,0,1]=3 2201 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [0,0,0,1,0,0|1,0,1]=3 2202 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [0,0,0,1,0,0|1,0,1]=3 2203 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000188475 [0,0,0,1,0,0|2,0,1]=4 2204 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000188475 [0,0,0,1,0,0|2,0,1]=4 2205 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000188475 [0,0,0,1,0,0|2,0,1]=4 2206 B13R1.444 CCCC(=O)COC1CCCC1C 7a_100011216460_100000747444 [0,0,0,1,0,0|2,0,1]=4 2207 B13R1.444 CCNC(=O)COC1CCCC1C 34a_100011216460_100000183381 [0,0,0,1,0,0|2,0,1]=4 2208 B13R1.444 CCNC(=O)COC1CCCC1C 7a_100011216460_100000183381 [0,0,0,1,0,0|2,0,1]=4 2209 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [0,0,0,1,0,0|1,0,2]=4 2210 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [0,0,0,1,0,0|1,0,2]=4 2211 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [0,0,0,1,0,0|1,0,2]=4 2212 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [0,0,0,1,0,0|1,0,2]=4 2213 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [0,0,0,1,0,0|1,0,2]=4 2214 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [0,0,0,1,0,0|1,0,1]=3 2215 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [0,0,0,1,0,0|1,0,1]=3 2216 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000188475 [0,0,0,1,0,0|2,0,1]=4 2217 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000188475 [0,0,0,1,0,0|2,0,1]=4 2218 B13R1.444 CCOC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000188475 [0,0,0,1,0,0|2,0,1]=4 2219 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000188475_200016002552 [0,0,0,1,0,0|2,0,1]=4 2220 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000188475 [0,0,0,1,0,0|2,0,1]=4 2221 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [0,0,0,1,0,0|1,0,2]=4 2222 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [0,0,0,1,0,0|1,0,2]=4 2223 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 2230a_100000749019_100016267167 [0,0,0,1,0,0|1,0,2]=4 2224 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 34a_100000749019_100016267167 [0,0,0,1,0,0|1,0,2]=4 2225 B13R1.448 CCOC(=O)/C=C/COC1CCC1 34a_100000748187_100016267167 [0,0,0,1,0,0|1,0,2]=4 2226 B13R1.448 CCOC(=O)/C=C/CSC1CCC1 62a_100016267167_100000749161 [0,0,0,1,0,0|1,0,2]=4 2227 B13R1.448 CCOC(=O)C=NNCC1CCC1 4a_200020586977_100000742314 [0,0,0,1,0,0|2,0,1]=4 2228 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [0,0,0,1,0,0|1,0,2]=4 2229 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [0,0,0,1,0,0|1,0,2]=4 2230 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [0,0,0,1,0,0|1,0,2]=4 2231 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [0,0,0,1,0,0|1,0,2]=4 2232 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [0,0,0,1,0,0|1,0,2]=4 2233 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [0,0,0,1,0,0|1,0,2]=4 2234 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [0,0,0,1,0,0|1,0,2]=4 2235 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [0,0,0,1,0,0|1,0,2]=4 2236 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [0,0,0,1,0,0|1,0,2]=4 2237 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [0,0,0,1,0,0|1,0,2]=4 2238 B13R1.448 CCOC(=O)COCCC1COC1 34a_100009855314_100000188475 [0,0,0,1,0,0|2,0,1]=4 2239 B13R1.448 CCOC(=O)COCCN1CCC1 269982a_100000754969_100000088970 [0,0,0,1,0,0|2,0,1]=4 2240 B13R1.448 CCOC(=O)NCCOC1CCC1 34a_100000158857_100000749161 [0,0,0,1,0,0|2,0,1]=4 2241 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [0,0,0,1,0,0|2,0,1]=4 2242 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 2230a_100000735609_100016267167 [0,0,0,1,0,0|1,0,2]=4 2243 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 34a_100000735609_100016267167 [0,0,0,1,0,0|1,0,2]=4 2244 B13R1.453 CCOC(=O)/C=C/COCC1CC1 34a_100000211283_100016267167 [0,0,0,1,0,0|1,0,2]=4 2245 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100000756562_100016267167 [0,0,0,1,0,0|1,0,2]=4 2246 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100016267167_100000742324 [0,0,0,1,0,0|1,0,2]=4 2247 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [0,0,0,1,0,0|1,0,2]=4 2248 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [0,0,0,1,0,0|1,0,2]=4 2249 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [0,0,0,1,0,0|1,0,2]=4 2250 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [0,0,0,1,0,0|1,0,2]=4 2251 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [0,0,0,1,0,0|1,0,2]=4 2252 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [0,0,0,1,0,0|1,0,2]=4 2253 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [0,0,0,1,0,0|1,0,2]=4 2254 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [0,0,0,1,0,0|1,0,2]=4 2255 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [0,0,0,1,0,0|1,0,2]=4 2256 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [0,0,0,1,0,0|1,0,2]=4 2257 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [0,0,0,1,0,0|1,0,2]=4 2258 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [0,0,0,1,0,0|1,0,2]=4 2259 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [0,0,0,1,0,0|1,0,2]=4 2260 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000212008_100000088970 [0,0,0,1,0,0|2,0,1]=4 2261 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000738766_100000188475 [0,0,0,1,0,0|2,0,1]=4 2262 B13R1.453 CCOC(=O)COCCSC1CC1 62a_100000088970_100000211595 [0,0,0,1,0,0|2,0,1]=4 2263 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000188475_100000733510 [0,0,0,1,0,0|2,0,1]=4 2264 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000733510_100000188475 [0,0,0,1,0,0|2,0,1]=4 2265 B13R1.453 CCOC(=O)NCCOCC1CC1 34a_100000158857_100000742324 [0,0,0,1,0,0|2,0,1]=4 2266 B13R1.453 CCOC(=O)NCCSCC1CC1 62a_100000756562_200011445536 [0,0,0,1,0,0|2,0,1]=4 2267 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [0,0,0,1,0,0|2,0,1]=4 2268 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 269982a_100000755817_100016267167 [0,0,0,1,0,0|1,0,2]=4 2269 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 34a_100000755817_100016267167 [0,0,0,1,0,0|1,0,2]=4 2270 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [0,0,0,1,0,0|1,0,2]=4 2271 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [0,0,0,1,0,0|1,0,2]=4 2272 B13R1.461 CCOC(=O)NCCN1CCC1C 269982a_100000755817_200011445536 [0,0,0,1,0,0|2,0,1]=4 2273 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [0,0,0,1,0,0|2,0,1]=4 2274 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [0,0,0,1,0,0|2,0,1]=4 2275 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [0,0,0,1,0,0|2,0,1]=4 2276 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [0,0,0,1,0,0|2,0,1]=4 2277 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [0,0,0,1,0,0|2,0,1]=4 2278 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [0,0,0,1,0,0|2,0,1]=4 2279 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [0,0,0,1,0,0|1,0,2]=4 2280 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [0,0,0,1,0,0|1,0,2]=4 2281 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [0,0,0,1,0,0|1,0,2]=4 2282 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [0,0,0,1,0,0|1,0,2]=4 2283 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [0,0,0,1,0,0|2,0,1]=4 2284 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [0,0,0,1,0,0|2,0,1]=4 2285 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [0,0,0,1,0,0|2,0,1]=4 2286 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [0,0,0,1,0,0|2,0,1]=4 2287 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [0,0,0,1,0,0|2,0,1]=4 2288 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [0,0,0,1,0,0|2,0,1]=4 2289 B13R1.470 CCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183381 [0,0,0,1,0,0|2,0,1]=4 2290 B13R1.470 CCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183381 [0,0,0,1,0,0|2,0,1]=4 2291 B13R1.470 CCNC(=O)CN1CCCCC1C 34a_100000211376_100000183381 [0,0,0,1,0,0|2,0,1]=4 2292 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [0,0,0,1,0,0|2,0,1]=4 2293 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [0,0,0,1,0,0|2,0,1]=4 2294 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [0,0,0,1,0,0|2,0,1]=4 2295 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [0,0,0,1,0,0|2,0,1]=4 2296 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [0,0,0,1,0,0|2,0,1]=4 2297 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [0,0,0,1,0,0|2,0,1]=4 2298 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [0,0,0,1,0,0|1,0,2]=4 2299 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [0,0,0,1,0,0|1,0,2]=4 2300 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [0,0,0,1,0,0|1,0,2]=4 2301 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [0,0,0,1,0,0|1,0,2]=4 2302 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [0,0,0,1,0,0|1,0,1]=3 2303 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [0,0,0,1,0,0|1,0,1]=3 2304 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [0,0,0,1,0,0|1,0,1]=3 2305 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000188475 [0,0,0,1,0,0|2,0,1]=4 2306 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000188475 [0,0,0,1,0,0|2,0,1]=4 2307 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000188475 [0,0,0,1,0,0|2,0,1]=4 2308 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,0,0,1,0,0|2,0,1]=4 2309 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,0,0,1,0,0|2,0,1]=4 2310 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,0,0,1,0,0|2,0,1]=4 2311 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,0,0,1,0,0|1,0,1]=3 2312 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,0,0,1,0,0|2,0,1]=4 2313 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,0,0,1,0,0|2,0,1]=4 2314 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,0,0,1,0,0|2,0,1]=4 2315 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,0,0,1,0,0|1,0,1]=3 2316 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,0,0,1,0,0|1,0,1]=3 2317 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,0,0,1,0,0|2,0,1]=4 2318 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,0,0,1,0,0|2,0,1]=4 2319 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,0,0,1,0,0|2,0,1]=4 2320 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,0,0,1,0,0|1,0,1]=3 2321 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,0,0,1,0,0|1,0,1]=3 2322 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,0,0,1,0,0|2,0,1]=4 2323 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,0,0,1,0,0|2,0,1]=4 2324 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,0,0,1,0,0|2,0,1]=4 2325 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,0,0,1,0,0|2,0,1]=4 2326 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,0,0,1,0,0|2,0,1]=4 2327 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,0,0,1,0,0|2,0,1]=4 2328 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,0,0,1,0,0|2,0,1]=4 2329 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,0,0,1,0,0|2,0,1]=4 2330 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,0,0,1,0,0|2,0,1]=4 2331 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,0,0,1,0,0|2,0,1]=4 2332 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,0,0,1,0,0|2,0,1]=4 2333 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,0,0,1,0,0|2,0,1]=4 2334 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,0,0,1,0,0|2,0,1]=4 2335 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,0,0,1,0,0|2,0,1]=4 2336 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,0,0,1,0,0|2,0,1]=4 2337 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,0,0,1,0,0|2,0,1]=4 2338 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,0,0,1,0,0|2,0,1]=4 2339 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,0,0,1,0,0|2,0,1]=4 2340 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,0,0,1,0,0|2,0,1]=4 2341 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,0,0,1,0,0|2,0,1]=4 2342 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,0,0,1,0,0|2,0,1]=4 2343 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,0,0,1,0,0|2,0,1]=4 2344 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,0,0,1,0,0|2,0,1]=4 2345 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,0,0,1,0,0|2,0,1]=4 2346 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,0,0,1,0,0|2,0,1]=4 2347 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,0,0,1,0,0|2,0,1]=4 2348 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,0,0,1,0,0|2,0,1]=4 2349 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,0,0,1,0,0|2,0,1]=4 2350 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,0,0,1,0,0|2,0,1]=4 2351 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,0,0,1,0,0|2,0,1]=4 2352 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,0,0,1,0,0|2,0,1]=4 2353 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,0,0,1,0,0|2,0,1]=4 2354 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,0,0,1,0,0|2,0,1]=4 2355 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,0,0,1,0,0|2,0,1]=4 2356 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,0,0,1,0,0|2,0,1]=4 2357 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,0,0,1,0,0|2,0,1]=4 2358 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,0,0,1,0,0|2,0,1]=4 2359 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [0,0,0,1,0,0|2,0,1]=4 2360 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [0,0,0,1,0,0|2,0,1]=4 2361 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [0,0,0,1,0,0|2,0,1]=4 2362 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [0,0,0,1,0,0|2,0,1]=4 2363 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [0,0,0,1,0,0|2,0,1]=4 2364 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [0,0,0,1,0,0|2,0,1]=4 2365 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [0,0,0,1,0,0|1,0,2]=4 2366 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,0,0,1,0,0|1,0,2]=4 2367 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,0,0,1,0,0|1,0,2]=4 2368 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [0,0,0,1,0,0|2,0,1]=4 2369 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [0,0,0,1,0,0|2,0,1]=4 2370 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [0,0,0,1,0,0|2,0,1]=4 2371 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [0,0,0,1,0,0|2,0,1]=4 2372 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [0,0,0,1,0,0|2,0,1]=4 2373 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [0,0,0,1,0,0|2,0,1]=4 2374 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [0,0,0,1,0,0|2,0,1]=4 2375 B13R1.1575 CCNC(=O)C=C1CCCCCC1 11a_100015525214_100011240665 [0,0,0,1,0,0|1,0,2]=4 2376 B13R1.1575 CCNC(=O)C=C1CCCCCC1 240690a_100015525214_100011240665 [0,0,0,1,0,0|1,0,2]=4 2377 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,0,0,1,0,0|1,0,2]=4 2378 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,0,0,1,0,0|1,0,2]=4 2379 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,0,0,1,0,0|1,0,2]=4 2380 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [0,0,0,1,0,0|2,0,1]=4 2381 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [0,0,0,1,0,0|2,0,1]=4 2382 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [0,0,0,1,0,0|2,0,1]=4 2383 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [0,0,0,1,0,0|2,0,1]=4 2384 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [0,0,0,1,0,0|2,0,1]=4 2385 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [0,0,0,1,0,0|2,0,1]=4 2386 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [0,0,0,1,0,0|2,0,1]=4 2387 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [0,0,0,1,0,0|2,0,1]=4 2388 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [0,0,0,1,0,0|2,0,1]=4 2389 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [0,0,0,1,0,0|2,0,1]=4 2390 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [0,0,0,1,0,0|2,0,1]=4 2391 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,0,0,1,0,0|1,0,1]=3 2392 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,0,0,1,0,0|1,0,1]=3 2393 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,0,0,1,0,0|1,0,1]=3 2394 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [0,0,0,1,0,0|2,0,1]=4 2395 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [0,0,0,1,0,0|2,0,1]=4 2396 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [0,0,0,1,0,0|2,0,1]=4 2397 B13R1.3151 CCCCCC#CCC(=O)C1CC1 1458a_100000210395_100009816472 [0,0,0,1,0,0|1,0,2]=4 2398 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [0,0,0,1,0,0|1,0,2]=4 2399 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [0,0,0,1,0,0|2,0,1]=4 2400 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [0,0,0,1,0,0|2,0,1]=4 2401 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [0,0,0,1,0,0|2,0,1]=4 2402 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [0,0,0,1,0,0|2,0,1]=4 2403 B13R1.3151 CCCCCCNCC(=O)C1CC1 2230a_100000210581_100000746382 [0,0,0,1,0,0|2,0,1]=4 2404 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [0,0,0,1,0,0|2,0,1]=4 2405 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [0,0,0,1,0,0|2,0,1]=4 2406 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [0,0,0,1,0,0|2,0,1]=4 2407 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000210314_100000746382 [0,0,0,1,0,0|2,0,1]=4 2408 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000746382_100000210757 [0,0,0,1,0,0|2,0,1]=4 2409 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [2,0,0,0,0,0|1,0,1]=4 2410 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [2,0,0,0,0,0|1,0,1]=4 2411 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [2,0,0,0,0,0|1,0,1]=4 2412 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [2,0,0,0,0,0|1,0,1]=4 2413 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [2,0,0,0,0,0|1,0,1]=4 2414 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [2,0,0,0,0,0|0,0,1]=3 2415 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [2,0,0,0,0,0|0,0,1]=3 2416 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [2,0,0,0,0,0|0,0,1]=3 2417 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [2,0,0,0,0,0|1,0,1]=4 2418 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [2,0,0,0,0,0|1,0,1]=4 2419 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [2,0,0,0,0,0|0,1,1]=4 2420 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [2,0,0,0,0,0|0,1,1]=4 2421 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [2,0,0,0,0,0|0,0,1]=3 2422 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [2,0,0,0,0,0|0,0,1]=3 2423 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [2,0,0,0,0,0|0,0,1]=3 2424 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [2,0,0,0,0,0|0,0,1]=3 2425 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [2,0,0,0,0,0|0,0,2]=4 2426 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [2,0,0,0,0,0|0,0,2]=4 2427 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [2,0,0,0,0,0|0,0,2]=4 2428 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [2,0,0,0,0,0|1,0,1]=4 2429 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [2,0,0,0,0,0|1,0,1]=4 2430 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [2,0,0,0,0,0|1,0,1]=4 2431 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [2,0,0,0,0,0|1,0,1]=4 2432 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [2,0,0,0,0,0|2,0,0]=4 2433 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [2,0,0,0,0,0|2,0,0]=4 2434 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [2,0,0,0,0,0|2,0,0]=4 2435 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [2,0,0,0,0,0|2,0,0]=4 2436 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [2,0,0,0,0,0|2,0,0]=4 2437 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [2,0,0,0,0,0|1,0,0]=3 2438 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [2,0,0,0,0,0|1,0,0]=3 2439 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [2,0,0,0,0,0|2,0,0]=4 2440 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [2,0,0,0,0,0|2,0,0]=4 2441 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [2,0,0,0,0,0|2,0,0]=4 2442 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [2,0,0,0,0,0|2,0,0]=4 2443 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [2,0,0,0,0,0|2,0,0]=4 2444 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 2445 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 2446 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 2447 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [2,0,0,0,0,0|2,0,0]=4 2448 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [2,0,0,0,0,0|1,0,1]=4 2449 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [2,0,0,0,0,0|1,0,1]=4 2450 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [2,0,0,0,0,0|1,0,1]=4 2451 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2452 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2453 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2454 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 2455 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 2456 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 2457 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 2458 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 2459 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 2460 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 2461 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [2,0,0,0,0,0|2,0,0]=4 2462 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [2,0,0,0,0,0|2,0,0]=4 2463 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [2,0,0,0,0,0|2,0,0]=4 2464 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [2,0,0,0,0,0|2,0,0]=4 2465 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [2,0,0,0,0,0|2,0,0]=4 2466 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [2,0,0,0,0,0|1,0,0]=3 2467 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [2,0,0,0,0,0|1,0,0]=3 2468 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [2,0,0,0,0,0|2,0,0]=4 2469 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [2,0,0,0,0,0|2,0,0]=4 2470 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [2,0,0,0,0,0|2,0,0]=4 2471 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 2472 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 2473 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [2,0,0,0,0,0|2,0,0]=4 2474 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 2475 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [2,0,0,0,0,0|2,0,0]=4 2476 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [2,0,0,0,0,0|1,0,0]=3 2477 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [2,0,0,0,0,0|1,0,0]=3 2478 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [2,0,0,0,0,0|2,0,0]=4 2479 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [2,0,0,0,0,0|2,0,0]=4 2480 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [2,0,0,0,0,0|2,0,0]=4 2481 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 2482 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 2483 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 2484 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [2,0,0,0,0,0|2,0,0]=4 2485 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [2,0,0,0,0,0|2,0,0]=4 2486 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [2,0,0,0,0,0|1,0,0]=3 2487 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [2,0,0,0,0,0|1,0,0]=3 2488 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [2,0,0,0,0,0|2,0,0]=4 2489 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [2,0,0,0,0,0|2,0,0]=4 2490 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [2,0,0,0,0,0|1,0,0]=3 2491 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [2,0,0,0,0,0|2,0,0]=4 2492 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [2,0,0,0,0,0|2,0,0]=4 2493 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [2,0,0,0,0,0|1,0,0]=3 2494 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [2,0,0,0,0,0|1,0,0]=3 2495 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [2,0,0,0,0,0|2,0,0]=4 2496 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [2,0,0,0,0,0|2,0,0]=4 2497 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [2,0,0,0,0,0|1,0,0]=3 2498 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [2,0,0,0,0,0|1,0,0]=3 2499 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [2,0,0,0,0,0|1,0,0]=3 2500 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [2,0,0,0,0,0|1,0,0]=3 2501 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [2,0,0,0,0,0|1,0,0]=3 2502 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [2,0,0,0,0,0|1,0,0]=3 2503 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [2,0,0,0,0,0|1,0,0]=3 2504 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [2,0,0,0,0,0|1,0,0]=3 2505 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [2,0,0,0,0,0|1,0,0]=3 2506 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [2,0,0,0,0,0|2,0,0]=4 2507 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [2,0,0,0,0,0|1,0,0]=3 2508 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [2,0,0,0,0,0|1,0,0]=3 2509 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [2,0,0,0,0,0|2,0,0]=4 2510 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [2,0,0,0,0,0|2,0,0]=4 2511 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [2,0,0,0,0,0|2,0,0]=4 2512 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [2,0,0,0,0,0|2,0,0]=4 2513 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [2,0,0,0,0,0|2,0,0]=4 2514 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [2,0,0,0,0,0|2,0,0]=4 2515 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [2,0,0,0,0,0|2,0,0]=4 2516 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [2,0,0,0,0,0|2,0,0]=4 2517 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [2,0,0,0,0,0|2,0,0]=4 2518 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [2,0,0,0,0,0|2,0,0]=4 2519 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [2,0,0,0,0,0|2,0,0]=4 2520 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [2,0,0,0,0,0|2,0,0]=4 2521 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [2,0,0,0,0,0|2,0,0]=4 2522 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [2,0,0,0,0,0|2,0,0]=4 2523 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [2,0,0,0,0,0|2,0,0]=4 2524 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 2525 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 2526 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [2,0,0,0,0,0|2,0,0]=4 2527 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [2,0,0,0,0,0|2,0,0]=4 2528 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [2,0,0,0,0,0|2,0,0]=4 2529 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [2,0,0,0,0,0|2,0,0]=4 2530 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [2,0,0,0,0,0|2,0,0]=4 2531 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [2,0,0,0,0,0|2,0,0]=4 2532 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [2,0,0,0,0,0|2,0,0]=4 2533 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [2,0,0,0,0,0|2,0,0]=4 2534 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [2,0,0,0,0,0|2,0,0]=4 2535 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [2,0,0,0,0,0|2,0,0]=4 2536 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [2,0,0,0,0,0|2,0,0]=4 2537 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [2,0,0,0,0,0|2,0,0]=4 2538 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [2,0,0,0,0,0|2,0,0]=4 2539 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [2,0,0,0,0,0|2,0,0]=4 2540 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [2,0,0,0,0,0|2,0,0]=4 2541 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [2,0,0,0,0,0|2,0,0]=4 2542 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [2,0,0,0,0,0|2,0,0]=4 2543 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [2,0,0,0,0,0|2,0,0]=4 2544 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [2,0,0,0,0,0|2,0,0]=4 2545 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [2,0,0,0,0,0|2,0,0]=4 2546 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [2,0,0,0,0,0|2,0,0]=4 2547 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [2,0,0,0,0,0|2,0,0]=4 2548 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [2,0,0,0,0,0|2,0,0]=4 2549 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [2,0,0,0,0,0|2,0,0]=4 2550 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [2,0,0,0,0,0|2,0,0]=4 2551 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [2,0,0,0,0,0|2,0,0]=4 2552 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [2,0,0,0,0,0|2,0,0]=4 2553 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [2,0,0,0,0,0|2,0,0]=4 2554 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [2,0,0,0,0,0|1,0,0]=3 2555 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [2,0,0,0,0,0|1,0,0]=3 2556 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [2,0,0,0,0,0|2,0,0]=4 2557 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [2,0,0,0,0,0|2,0,0]=4 2558 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [2,0,0,0,0,0|2,0,0]=4 2559 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [2,0,0,0,0,0|1,0,1]=4 2560 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [2,0,0,0,0,0|1,0,1]=4 2561 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [2,0,0,0,0,0|1,0,1]=4 2562 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [2,0,0,0,0,0|1,0,1]=4 2563 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [2,0,0,0,0,0|2,0,0]=4 2564 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [2,0,0,0,0,0|0,0,0]=2 2565 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [2,0,0,0,0,0|1,0,0]=3 2566 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [2,0,0,0,0,0|1,0,0]=3 2567 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [2,0,0,0,0,0|0,0,2]=4 2568 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [2,0,0,0,0,0|0,0,1]=3 2569 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [2,0,0,0,0,0|0,0,1]=3 2570 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [2,0,0,0,0,0|1,0,1]=4 2571 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [2,0,0,0,0,0|1,0,1]=4 2572 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [2,0,0,0,0,0|1,0,1]=4 2573 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [2,0,0,0,0,0|1,0,1]=4 2574 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [2,0,0,0,0,0|1,0,1]=4 2575 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [2,0,0,0,0,0|1,0,1]=4 2576 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2577 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2578 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2579 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 2580 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [2,0,0,0,0,0|2,0,0]=4 2581 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [2,0,0,0,0,0|2,0,0]=4 2582 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [2,0,0,0,0,0|2,0,0]=4 2583 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [2,0,0,0,0,0|2,0,0]=4 2584 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [2,0,0,0,0,0|2,0,0]=4 2585 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [2,0,0,0,0,0|2,0,0]=4 2586 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [2,0,0,0,0,0|2,0,0]=4 2587 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [2,0,0,0,0,0|2,0,0]=4 2588 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [2,0,0,0,0,0|1,0,1]=4 2589 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [2,0,0,0,0,0|2,0,0]=4 2590 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [2,0,0,0,0,0|1,0,1]=4 2591 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [2,0,0,0,0,0|1,0,1]=4 2592 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [2,0,0,0,0,0|1,0,1]=4 2593 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [2,0,0,0,0,0|1,0,1]=4 2594 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [2,0,0,0,0,0|1,0,1]=4 2595 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [2,0,0,0,0,0|1,0,1]=4 2596 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [2,0,0,0,0,0|1,0,1]=4 2597 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [2,0,0,0,0,0|1,0,1]=4 2598 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [2,0,0,0,0,0|1,0,1]=4 2599 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [2,0,0,0,0,0|1,0,1]=4 2600 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [2,0,0,0,0,0|1,0,1]=4 2601 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [2,0,0,0,0,0|1,0,1]=4 2602 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [2,0,0,0,0,0|1,0,1]=4 2603 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [2,0,0,0,0,0|1,0,1]=4 2604 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [2,0,0,0,0,0|1,0,1]=4 2605 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [2,0,0,0,0,0|2,0,0]=4 2606 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [2,0,0,0,0,0|2,0,0]=4 2607 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [2,0,0,0,0,0|1,0,1]=4 2608 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 2609 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 2610 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [2,0,0,0,0,0|2,0,0]=4 2611 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 2612 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [2,0,0,0,0,0|2,0,0]=4 2613 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [2,0,0,0,0,0|2,0,0]=4 2614 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [2,0,0,0,0,0|2,0,0]=4 2615 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [2,0,0,0,0,0|2,0,0]=4 2616 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [2,0,0,0,0,0|1,0,1]=4 2617 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [2,0,0,0,0,0|1,0,1]=4 2618 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 2619 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 2620 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 2621 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [2,0,0,0,0,0|1,0,1]=4 2622 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [2,0,0,0,0,0|1,0,1]=4 2623 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [2,0,0,0,0,0|1,0,1]=4 2624 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [2,0,0,0,0,0|1,0,1]=4 2625 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2626 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2627 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2628 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 2629 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [2,0,0,0,0,0|1,0,1]=4 2630 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [2,0,0,0,0,0|1,0,1]=4 2631 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [2,0,0,0,0,0|1,0,1]=4 2632 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [2,0,0,0,0,0|1,0,1]=4 2633 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [2,0,0,0,0,0|1,0,1]=4 2634 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [2,0,0,0,0,0|1,0,1]=4 2635 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [2,0,0,0,0,0|1,0,1]=4 2636 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [2,0,0,0,0,0|1,0,1]=4 2637 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [2,0,0,0,0,0|1,0,1]=4 2638 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [2,0,0,0,0,0|1,0,1]=4 2639 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [2,0,0,0,0,0|1,0,1]=4 2640 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [2,0,0,0,0,0|1,0,1]=4 2641 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [2,0,0,0,0,0|1,0,1]=4 2642 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [2,0,0,0,0,0|1,0,1]=4 2643 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [2,0,0,0,0,0|0,0,2]=4 2644 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [2,0,0,0,0,0|0,0,2]=4 2645 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [2,0,0,0,0,0|0,0,2]=4 2646 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|0,0,2]=4 2647 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|0,0,2]=4 2648 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|0,0,2]=4 2649 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|1,0,1]=4 2650 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|1,0,1]=4 2651 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|1,0,1]=4 2652 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|1,0,1]=4 2653 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,1]=4 2654 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|1,0,1]=4 2655 B12R0.5 C#CCOCC#CCCCCCC 34a_200000037284_100000184674 [1,1,0,0,0,0|0,0,2]=4 2656 B12R0.5 C#CCOCC#CCCCCCC 7a_200000037284_100000038162 [1,1,0,0,0,0|0,0,2]=4 2657 B12R0.5 C=CCOCC#CCCCCCC 34a_200000037284_100015514636 [1,1,0,0,0,0|0,0,2]=4 2658 B12R0.5 C=CCOCC#CCCCCCC 7a_200000037284_100015514636 [1,1,0,0,0,0|0,0,2]=4 2659 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [1,1,0,0,0,0|1,0,1]=4 2660 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [1,1,0,0,0,0|1,0,1]=4 2661 B12R0.5 CCCCC#CCCCOCCC 34a_100000210258_200000047210 [1,1,0,0,0,0|1,0,1]=4 2662 B12R0.5 CCCCC#CCCCSCCC 62a_100000210303_200000047210 [1,1,0,0,0,0|1,0,1]=4 2663 B12R0.5 CCCCC#CCCCSCCC 62a_200000047210_100000210303 [1,1,0,0,0,0|1,0,1]=4 2664 B12R0.5 CCCCC#CCCOCCCC 34a_100000037610_100000210210 [1,1,0,0,0,0|1,0,1]=4 2665 B12R0.5 CCCCC#CCCOCCCC 7a_100000037610_100000210211 [1,1,0,0,0,0|1,0,1]=4 2666 B12R0.5 CCCCC#CCOCCCCC 34a_200000034558_100000718602 [1,1,0,0,0,0|1,0,1]=4 2667 B12R0.5 CCCCC#CCOCCCCC 7a_200000034558_100000210326 [1,1,0,0,0,0|1,0,1]=4 2668 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [1,1,0,0,0,0|0,0,1]=3 2669 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [1,1,0,0,0,0|0,0,1]=3 2670 B12R0.5 CCCCCCC#CCCOCF 34a_200000033163_100015361967 [1,1,0,0,0,0|1,0,1]=4 2671 B12R0.5 CCCCCCC#CCCOCF 7a_200000033163_100015361967 [1,1,0,0,0,0|1,0,1]=4 2672 B12R0.5 CCCCCCC#CCOCC#N 7a_200000037284_100011215382 [1,1,0,0,0,0|0,0,2]=4 2673 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [1,1,0,0,0,0|0,0,2]=4 2674 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [1,1,0,0,0,0|0,0,2]=4 2675 B12R0.5 CCCCCCC#CCOCCC 34a_200000037284_100000210303 [1,1,0,0,0,0|0,0,1]=3 2676 B12R0.5 CCCCCCC#CCOCCC 7a_200000037284_100000210303 [1,1,0,0,0,0|0,0,1]=3 2677 B12R0.5 CCCCCCC#CCOCCF 34a_200000037284_100011217306 [1,1,0,0,0,0|0,0,1]=3 2678 B12R0.5 CCCCCCC#CCOCCF 7a_200000037284_100011217306 [1,1,0,0,0,0|0,0,1]=3 2679 B12R0.5 CCCCCCC#CCOCCO 34a_200000037284_100000211926 [1,1,0,0,0,0|0,0,1]=3 2680 B12R0.5 CCCCCCC#CCOCCO 7a_200000037284_100000211926 [1,1,0,0,0,0|0,0,1]=3 2681 B12R0.5 CCCCCCC#CCOCSC 34a_200000037284_100011218213 [1,1,0,0,0,0|0,0,1]=3 2682 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [1,1,0,0,0,0|0,0,1]=3 2683 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [1,1,0,0,0,0|0,0,1]=3 2684 B12R0.5 CCCCCCCC#CCOCF 34a_200000061759_100015361967 [1,1,0,0,0,0|1,0,1]=4 2685 B12R0.5 CCCCCCCC#CCOCF 7a_200000061759_100015361967 [1,1,0,0,0,0|1,0,1]=4 2686 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [1,1,0,0,0,0|0,0,2]=4 2687 B12R0.234 CCCCCCC#CCOC(C)C 34a_200000037284_100000210206 [1,1,0,0,0,0|0,0,1]=3 2688 B12R0.234 CCCCCCC#CCOC(C)C 7a_200000037284_100000210206 [1,1,0,0,0,0|0,0,1]=3 2689 B12R0.4 C=C(C)CC(=O)C#CCCCCC 1458a_100011215388_100000748629 [1,1,0,0,0,0|1,0,1]=4 2690 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [1,1,0,0,0,0|1,0,1]=4 2691 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [1,1,0,0,0,0|1,0,1]=4 2692 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [1,1,0,0,0,0|1,0,0]=3 2693 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [1,1,0,0,0,0|1,0,0]=3 2694 B12R0.4 CCCCCC#CC(=O)CC(F)F 1458a_100011215388_100011934356 [1,1,0,0,0,0|2,0,0]=4 2695 B12R0.4 CCCCCC#CC(=O)NC(C)C 240690a_100138425928_100011215388 [1,1,0,0,0,0|1,0,0]=3 2696 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [1,1,0,0,0,0|1,0,1]=4 2697 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [1,1,0,0,0,0|1,0,1]=4 2698 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [1,1,0,0,0,0|1,0,1]=4 2699 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [1,1,0,0,0,0|1,0,1]=4 2700 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [1,1,0,0,0,0|1,0,1]=4 2701 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [1,1,0,0,0,0|1,0,1]=4 2702 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [1,1,0,0,0,0|1,0,1]=4 2703 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [1,1,0,0,0,0|1,0,1]=4 2704 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 2705 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 2706 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 2707 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 2708 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [1,1,0,0,0,0|2,0,0]=4 2709 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [1,1,0,0,0,0|2,0,0]=4 2710 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 2711 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 2712 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [1,1,0,0,0,0|2,0,0]=4 2713 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 2714 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [1,1,0,0,0,0|1,0,1]=4 2715 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [1,1,0,0,0,0|1,0,1]=4 2716 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [1,1,0,0,0,0|1,0,1]=4 2717 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [1,1,0,0,0,0|1,0,1]=4 2718 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [1,1,0,0,0,0|1,0,1]=4 2719 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [1,1,0,0,0,0|1,0,1]=4 2720 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [1,1,0,0,0,0|1,0,1]=4 2721 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [1,1,0,0,0,0|1,0,1]=4 2722 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [1,1,0,0,0,0|1,0,1]=4 2723 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [1,1,0,0,0,0|1,0,1]=4 2724 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [1,1,0,0,0,0|2,0,0]=4 2725 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [1,1,0,0,0,0|2,0,0]=4 2726 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [1,1,0,0,0,0|1,0,1]=4 2727 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [1,1,0,0,0,0|1,0,1]=4 2728 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [1,1,0,0,0,0|1,0,1]=4 2729 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [1,1,0,0,0,0|1,0,1]=4 2730 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [1,1,0,0,0,0|1,0,1]=4 2731 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [1,1,0,0,0,0|1,0,1]=4 2732 B12R0.49 CCCCCC#CC(=O)C(C)CC 1458a_100011215388_100000758301 [1,1,0,0,0,0|1,0,0]=3 2733 B12R0.49 CCCCCC#CC(=O)N(C)CC 240690a_100000225621_100011215388 [1,1,0,0,0,0|1,0,0]=3 2734 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [1,1,0,0,0,0|1,0,1]=4 2735 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [1,1,0,0,0,0|1,0,1]=4 2736 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [1,1,0,0,0,0|1,0,1]=4 2737 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [1,1,0,0,0,0|1,0,1]=4 2738 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [1,1,0,0,0,0|1,0,1]=4 2739 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [1,1,0,0,0,0|1,0,1]=4 2740 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [1,1,0,0,0,0|1,0,1]=4 2741 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 2742 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 2743 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 2744 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 2745 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [1,1,0,0,0,0|2,0,0]=4 2746 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [1,1,0,0,0,0|2,0,0]=4 2747 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [1,1,0,0,0,0|2,0,0]=4 2748 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [1,1,0,0,0,0|0,0,2]=4 2749 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [1,1,0,0,0,0|1,0,1]=4 2750 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [1,1,0,0,0,0|1,0,1]=4 2751 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [1,1,0,0,0,0|1,0,1]=4 2752 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [1,1,0,0,0,0|1,0,1]=4 2753 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [1,1,0,0,0,0|1,0,1]=4 2754 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [1,1,0,0,0,0|1,0,1]=4 2755 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [1,1,0,0,0,0|1,0,1]=4 2756 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [1,1,0,0,0,0|1,0,1]=4 2757 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [1,1,0,0,0,0|1,0,1]=4 2758 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [1,1,0,0,0,0|1,0,1]=4 2759 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [1,1,0,0,0,0|1,0,1]=4 2760 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [1,1,0,0,0,0|1,0,1]=4 2761 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [1,1,0,0,0,0|1,0,1]=4 2762 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [1,1,0,0,0,0|1,0,1]=4 2763 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [1,1,0,0,0,0|1,0,1]=4 2764 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [1,1,0,0,0,0|1,0,1]=4 2765 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [1,1,0,0,0,0|1,0,1]=4 2766 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [1,1,0,0,0,0|1,0,1]=4 2767 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [1,1,0,0,0,0|1,0,1]=4 2768 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [1,1,0,0,0,0|1,0,1]=4 2769 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [1,1,0,0,0,0|1,0,1]=4 2770 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [1,1,0,0,0,0|1,0,1]=4 2771 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [1,1,0,0,0,0|1,0,1]=4 2772 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [1,1,0,0,0,0|1,0,1]=4 2773 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [1,1,0,0,0,0|1,0,1]=4 2774 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [1,1,0,0,0,0|1,0,1]=4 2775 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 2776 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 2777 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 2778 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 2779 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [1,1,0,0,0,0|2,0,0]=4 2780 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [1,1,0,0,0,0|2,0,0]=4 2781 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 2782 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 2783 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 2784 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [1,1,0,0,0,0|1,0,1]=4 2785 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [1,1,0,0,0,0|1,0,1]=4 2786 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [1,1,0,0,0,0|1,0,1]=4 2787 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [1,1,0,0,0,0|1,0,1]=4 2788 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [1,1,0,0,0,0|1,0,1]=4 2789 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [1,1,0,0,0,0|1,0,1]=4 2790 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [1,1,0,0,0,0|1,0,1]=4 2791 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [1,1,0,0,0,0|1,0,1]=4 2792 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [1,1,0,0,0,0|1,0,1]=4 2793 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [1,1,0,0,0,0|1,0,1]=4 2794 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [1,1,0,0,0,0|1,0,1]=4 2795 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [1,1,0,0,0,0|1,0,1]=4 2796 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [1,1,0,0,0,0|1,0,1]=4 2797 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [1,1,0,0,0,0|0,0,2]=4 2798 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [1,1,0,0,0,0|0,0,2]=4 2799 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 2800 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 2801 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 2802 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 2803 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [1,1,0,0,0,0|2,0,0]=4 2804 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [1,1,0,0,0,0|2,0,0]=4 2805 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [1,1,0,0,0,0|2,0,0]=4 2806 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [1,1,0,0,0,0|2,0,0]=4 2807 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [1,1,0,0,0,0|2,0,0]=4 2808 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [1,1,0,0,0,0|2,0,0]=4 2809 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [1,1,0,0,0,0|1,0,1]=4 2810 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [1,1,0,0,0,0|1,0,1]=4 2811 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [1,1,0,0,0,0|1,0,1]=4 2812 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [1,1,0,0,0,0|1,0,1]=4 2813 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [1,1,0,0,0,0|1,0,1]=4 2814 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [1,1,0,0,0,0|1,0,1]=4 2815 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [1,1,0,0,0,0|1,0,1]=4 2816 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [1,1,0,0,0,0|1,0,1]=4 2817 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [1,1,0,0,0,0|1,0,1]=4 2818 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [1,1,0,0,0,0|2,0,0]=4 2819 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [1,1,0,0,0,0|2,0,0]=4 2820 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [1,1,0,0,0,0|1,0,1]=4 2821 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [1,1,0,0,0,0|1,0,1]=4 2822 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [1,1,0,0,0,0|1,0,1]=4 2823 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [1,1,0,0,0,0|0,0,2]=4 2824 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [1,1,0,0,0,0|0,0,2]=4 2825 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [1,1,0,0,0,0|1,0,1]=4 2826 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [1,1,0,0,0,0|1,0,1]=4 2827 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [1,1,0,0,0,0|1,0,1]=4 2828 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [1,1,0,0,0,0|1,0,1]=4 2829 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [1,1,0,0,0,0|1,0,1]=4 2830 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [1,1,0,0,0,0|1,0,1]=4 2831 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [1,1,0,0,0,0|1,0,1]=4 2832 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [1,1,0,0,0,0|1,0,1]=4 2833 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [1,1,0,0,0,0|1,0,1]=4 2834 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [1,1,0,0,0,0|1,0,1]=4 2835 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [1,1,0,0,0,0|1,0,1]=4 2836 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [1,1,0,0,0,0|1,0,1]=4 2837 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [1,1,0,0,0,0|1,0,1]=4 2838 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [1,1,0,0,0,0|1,0,1]=4 2839 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [1,1,0,0,0,0|1,0,1]=4 2840 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [1,1,0,0,0,0|1,0,1]=4 2841 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [1,1,0,0,0,0|1,0,1]=4 2842 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [1,1,0,0,0,0|1,0,1]=4 2843 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [1,1,0,0,0,0|2,0,0]=4 2844 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [1,1,0,0,0,0|2,0,0]=4 2845 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [1,1,0,0,0,0|2,0,0]=4 2846 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [1,1,0,0,0,0|2,0,0]=4 2847 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [1,1,0,0,0,0|2,0,0]=4 2848 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [1,1,0,0,0,0|2,0,0]=4 2849 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [1,1,0,0,0,0|1,0,1]=4 2850 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [1,1,0,0,0,0|1,0,1]=4 2851 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [1,1,0,0,0,0|1,0,1]=4 2852 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [1,1,0,0,0,0|1,0,1]=4 2853 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [1,1,0,0,0,0|1,0,1]=4 2854 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [1,1,0,0,0,0|0,0,2]=4 2855 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [1,1,0,0,0,0|0,0,2]=4 2856 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [1,1,0,0,0,0|0,0,2]=4 2857 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [1,1,0,0,0,0|1,0,1]=4 2858 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [1,1,0,0,0,0|1,0,1]=4 2859 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [1,1,0,0,0,0|1,0,1]=4 2860 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [1,1,0,0,0,0|1,0,1]=4 2861 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [1,1,0,0,0,0|1,0,1]=4 2862 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [1,1,0,0,0,0|1,0,1]=4 2863 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [1,1,0,0,0,0|1,0,1]=4 2864 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [1,1,0,0,0,0|1,0,1]=4 2865 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [1,1,0,0,0,0|1,0,1]=4 2866 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [1,1,0,0,0,0|1,0,1]=4 2867 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [1,1,0,0,0,0|1,0,1]=4 2868 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [1,1,0,0,0,0|1,0,1]=4 2869 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [1,1,0,0,0,0|1,0,1]=4 2870 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [1,1,0,0,0,0|1,0,1]=4 2871 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [1,1,0,0,0,0|1,0,1]=4 2872 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [1,1,0,0,0,0|1,0,1]=4 2873 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [1,1,0,0,0,0|1,0,1]=4 2874 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [1,1,0,0,0,0|1,0,1]=4 2875 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [1,1,0,0,0,0|1,0,1]=4 2876 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [1,1,0,0,0,0|1,0,1]=4 2877 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [1,1,0,0,0,0|1,0,1]=4 2878 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [1,1,0,0,0,0|1,0,1]=4 2879 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [1,1,0,0,0,0|1,0,1]=4 2880 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [1,1,0,0,0,0|1,0,1]=4 2881 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [1,1,0,0,0,0|1,0,1]=4 2882 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [1,1,0,0,0,0|1,0,1]=4 2883 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [1,1,0,0,0,0|1,0,1]=4 2884 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [1,1,0,0,0,0|1,0,1]=4 2885 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [1,1,0,0,0,0|1,0,1]=4 2886 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [1,1,0,0,0,0|1,0,1]=4 2887 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [1,1,0,0,0,0|1,0,1]=4 2888 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [1,1,0,0,0,0|1,0,1]=4 2889 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [1,1,0,0,0,0|1,0,1]=4 2890 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [1,1,0,0,0,0|1,0,1]=4 2891 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [1,1,0,0,0,0|1,0,1]=4 2892 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [1,1,0,0,0,0|1,0,1]=4 2893 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [1,1,0,0,0,0|1,0,1]=4 2894 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [1,1,0,0,0,0|1,0,1]=4 2895 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [1,1,0,0,0,0|1,0,1]=4 2896 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [1,1,0,0,0,0|1,0,1]=4 2897 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [1,1,0,0,0,0|1,0,1]=4 2898 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [1,1,0,0,0,0|1,0,1]=4 2899 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [1,1,0,0,0,0|2,0,0]=4 2900 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [1,1,0,0,0,0|2,0,0]=4 2901 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [1,1,0,0,0,0|2,0,0]=4 2902 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [1,1,0,0,0,0|2,0,0]=4 2903 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [1,1,0,0,0,0|2,0,0]=4 2904 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [1,1,0,0,0,0|2,0,0]=4 2905 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [1,1,0,0,0,0|2,0,0]=4 2906 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [1,1,0,0,0,0|2,0,0]=4 2907 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [1,1,0,0,0,0|0,0,2]=4 2908 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [1,1,0,0,0,0|0,0,2]=4 2909 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [1,1,0,0,0,0|1,0,1]=4 2910 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [1,1,0,0,0,0|1,0,1]=4 2911 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [1,1,0,0,0,0|1,0,1]=4 2912 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [1,1,0,0,0,0|1,0,1]=4 2913 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [1,1,0,0,0,0|1,0,1]=4 2914 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [1,1,0,0,0,0|1,0,1]=4 2915 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [1,1,0,0,0,0|1,0,1]=4 2916 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [1,1,0,0,0,0|1,0,1]=4 2917 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [1,1,0,0,0,0|1,0,1]=4 2918 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [1,1,0,0,0,0|1,0,1]=4 2919 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [1,1,0,0,0,0|2,0,0]=4 2920 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [1,1,0,0,0,0|1,0,1]=4 2921 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [1,1,0,0,0,0|1,0,1]=4 2922 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [1,1,0,0,0,0|2,0,0]=4 2923 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [1,1,0,0,0,0|1,0,1]=4 2924 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [1,1,0,0,0,0|1,0,1]=4 2925 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [1,1,0,0,0,0|1,0,1]=4 2926 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [1,1,0,0,0,0|1,0,1]=4 2927 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [1,1,0,0,0,0|1,0,1]=4 2928 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [1,1,0,0,0,0|0,0,2]=4 2929 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [1,1,0,0,0,0|0,0,2]=4 2930 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [1,1,0,0,0,0|0,0,2]=4 2931 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [1,1,0,0,0,0|1,0,1]=4 2932 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [1,1,0,0,0,0|1,0,1]=4 2933 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [1,1,0,0,0,0|1,0,1]=4 2934 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [1,1,0,0,0,0|1,0,1]=4 2935 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [1,1,0,0,0,0|1,0,1]=4 2936 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [1,1,0,0,0,0|1,0,1]=4 2937 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [1,1,0,0,0,0|1,0,1]=4 2938 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [1,1,0,0,0,0|1,0,1]=4 2939 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [1,1,0,0,0,0|0,0,2]=4 2940 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [1,1,0,0,0,0|1,0,1]=4 2941 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [1,1,0,0,0,0|1,0,1]=4 2942 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [1,1,0,0,0,0|1,0,1]=4 2943 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [1,1,0,0,0,0|1,0,1]=4 2944 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [1,1,0,0,0,0|1,0,1]=4 2945 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [1,1,0,0,0,0|1,0,1]=4 2946 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [1,1,0,0,0,0|1,0,1]=4 2947 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [1,1,0,0,0,0|1,0,1]=4 2948 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [1,1,0,0,0,0|1,0,1]=4 2949 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [1,1,0,0,0,0|1,0,1]=4 2950 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [1,1,0,0,0,0|1,0,1]=4 2951 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [1,1,0,0,0,0|0,0,2]=4 2952 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [1,1,0,0,0,0|1,0,1]=4 2953 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [1,1,0,0,0,0|1,0,1]=4 2954 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [1,1,0,0,0,0|1,0,1]=4 2955 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [1,1,0,0,0,0|1,0,1]=4 2956 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [1,1,0,0,0,0|1,0,1]=4 2957 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [1,1,0,0,0,0|1,0,1]=4 2958 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [1,1,0,0,0,0|1,0,1]=4 2959 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [1,1,0,0,0,0|1,0,1]=4 2960 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [1,1,0,0,0,0|1,0,1]=4 2961 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [1,1,0,0,0,0|1,0,1]=4 2962 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [1,1,0,0,0,0|1,0,1]=4 2963 B12R0.251 CCCCCC#CCC(=O)C(C)C 1458a_100000210198_100009816472 [1,1,0,0,0,0|0,0,2]=4 2964 B12R0.251 CCCCCC#CCC(=O)C(C)F 1458a_100000062450_100009816472 [1,1,0,0,0,0|0,0,2]=4 2965 B12R0.251 CCCCCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009816472 [1,1,0,0,0,0|0,0,2]=4 2966 B12R0.251 CCCCCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009816472 [1,1,0,0,0,0|0,0,2]=4 2967 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [1,1,0,0,0,0|0,0,2]=4 2968 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [1,1,0,0,0,0|0,0,2]=4 2969 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [1,1,0,0,0,0|0,0,2]=4 2970 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [1,1,0,0,0,0|0,0,2]=4 2971 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [1,1,0,0,0,0|0,0,2]=4 2972 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [1,1,0,0,0,0|0,0,2]=4 2973 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [1,1,0,0,0,0|1,0,1]=4 2974 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [1,1,0,0,0,0|1,0,1]=4 2975 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [1,1,0,0,0,0|1,0,1]=4 2976 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [1,1,0,0,0,0|1,0,1]=4 2977 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [1,1,0,0,0,0|1,0,1]=4 2978 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [1,1,0,0,0,0|1,0,1]=4 2979 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [1,1,0,0,0,0|1,0,1]=4 2980 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [1,1,0,0,0,0|1,0,1]=4 2981 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [1,1,0,0,0,0|1,0,1]=4 2982 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [1,1,0,0,0,0|1,0,1]=4 2983 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [1,1,0,0,0,0|1,0,1]=4 2984 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [1,1,0,0,0,0|1,0,1]=4 2985 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [1,1,0,0,0,0|1,0,1]=4 2986 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [1,1,0,0,0,0|1,0,1]=4 2987 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [1,1,0,0,0,0|1,0,1]=4 2988 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [1,1,0,0,0,0|1,0,1]=4 2989 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210303 [0,2,0,0,0,0|0,0,2]=4 2990 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000211992_100000755133 [0,2,0,0,0,0|0,0,2]=4 2991 B14R0.1 CCCC(=O)CCCOCC(=O)OCC 1458a_100000211992_100009893628 [0,2,0,0,0,0|1,0,1]=4 2992 B14R0.1 CCCC(C)CCCOCC(=O)OCC 34a_100011713154_100000188475 [0,2,0,0,0,0|0,0,2]=4 2993 B14R0.1 CCCC(C)CCCOCC(=O)OCC 7a_100011713154_100000188475 [0,2,0,0,0,0|0,0,2]=4 2994 B14R0.1 CCCC(C)CCOCCC(=O)OCC 34a_100011217855_100000765890 [0,2,0,0,0,0|0,0,2]=4 2995 B14R0.1 CCCC(C)CCOCCC(=O)OCC 7a_100011217855_100011206558 [0,2,0,0,0,0|0,0,2]=4 2996 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 34a_100000688023_100016267167 [0,2,0,0,0,0|0,0,2]=4 2997 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 7a_100000688023_100016267167 [0,2,0,0,0,0|0,0,2]=4 2998 B14R0.1 CCCC(C)COCCCC(=O)OCC 34a_100000688023_100009991533 [0,2,0,0,0,0|0,0,2]=4 2999 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100000688023_100011215271 [0,2,0,0,0,0|0,0,2]=4 3000 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100012001163_100011216630 [0,2,0,0,0,0|0,0,2]=4 3001 B14R0.1 CCCC(C)COCCNC(=O)OCC 34a_100000158857_100011216630 [0,2,0,0,0,0|1,0,1]=4 3002 B14R0.1 CCCC(C)COCCNC(=O)OCC 7a_100000688023_200011445536 [0,2,0,0,0,0|1,0,1]=4 3003 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100011216630_100016267167 [0,2,0,0,0,0|0,0,2]=4 3004 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100016267167_100011216630 [0,2,0,0,0,0|0,0,2]=4 3005 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100009991533_100011216630 [0,2,0,0,0,0|0,0,2]=4 3006 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100011216630_100009991533 [0,2,0,0,0,0|0,0,2]=4 3007 B14R0.1 CCCC(C)CSCCNC(=O)OCC 62a_100011216630_200011445536 [0,2,0,0,0,0|1,0,1]=4 3008 B14R0.1 CCCC(C)NCCCCC(=O)OCC 2230a_100000741246_100000750268 [0,2,0,0,0,0|0,0,2]=4 3009 B14R0.1 CCCC(C)NCCOCC(=O)OCC 2230a_100000741246_100000088970 [0,2,0,0,0,0|1,0,1]=4 3010 B14R0.1 CCCC(C)OCCCCC(=O)OCC 34a_100000764384_100000750268 [0,2,0,0,0,0|0,0,2]=4 3011 B14R0.1 CCCC(C)OCCCCC(=O)OCC 7a_100000764384_100000750268 [0,2,0,0,0,0|0,0,2]=4 3012 B14R0.1 CCCC(C)OCCOCC(=O)OCC 34a_100000764384_100000088970 [0,2,0,0,0,0|1,0,1]=4 3013 B14R0.1 CCCC(C)OCCOCC(=O)OCC 7a_100000764384_100000088970 [0,2,0,0,0,0|1,0,1]=4 3014 B14R0.1 CCCC(C)OCCSCC(=O)OCC 7a_200000230590_100000766640 [0,2,0,0,0,0|1,0,1]=4 3015 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000750268_100000766640 [0,2,0,0,0,0|0,0,2]=4 3016 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000766640_100000750268 [0,2,0,0,0,0|0,0,2]=4 3017 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000088970_100000766640 [0,2,0,0,0,0|1,0,1]=4 3018 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000766640_100000088970 [0,2,0,0,0,0|1,0,1]=4 3019 B14R0.1 CCCN(C)CCCCCC(=O)OCC 2230a_100000747261_100000755133 [0,2,0,0,0,0|0,0,2]=4 3020 B14R0.1 CCCN(C)CCCCCC(=O)OCC 269982a_100000747261_100000755133 [0,2,0,0,0,0|0,0,2]=4 3021 B14R0.1 CCCN(C)CCCOCC(=O)OCC 2230a_100000747261_100009893628 [0,2,0,0,0,0|1,0,1]=4 3022 B14R0.1 CCCN(C)CCCOCC(=O)OCC 269982a_100000747261_100009893628 [0,2,0,0,0,0|1,0,1]=4 3023 B14R0.1 CCC[C@H](N)CCOCCC(=O)OCC 34a_100015193777_100000765890 [0,2,0,0,0,0|0,0,2]=4 3024 B14R0.1 CCC[C@H](N)COC/C=C/C(=O)OCC 34a_100000732646_100016267167 [0,2,0,0,0,0|0,0,2]=4 3025 B14R0.1 CCC[C@H](N)COCCCC(=O)OCC 34a_100000732646_100009991533 [0,2,0,0,0,0|0,0,2]=4 3026 B14R0.32 CCOC(=O)/C=C/CNCCC(C)CC 2230a_100020591266_100016267167 [0,2,0,0,0,0|0,0,2]=4 3027 B14R0.32 CCOC(=O)/C=C/COCCC(C)CC 7a_100011215188_100016267167 [0,2,0,0,0,0|0,0,2]=4 3028 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000031895_100000210202 [0,2,0,0,0,0|0,0,2]=4 3029 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000210414_100009814379 [0,2,0,0,0,0|0,0,2]=4 3030 B14R0.32 CCOC(=O)CCCCCCN(C)CC 2230a_100000225621_100009814379 [0,2,0,0,0,0|0,0,2]=4 3031 B14R0.32 CCOC(=O)CCCCCCN(C)CC 269982a_100000225621_100009814379 [0,2,0,0,0,0|0,0,2]=4 3032 B14R0.32 CCOC(=O)CCCCCNC(C)CC 2230a_100000209981_100000755133 [0,2,0,0,0,0|0,0,2]=4 3033 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100000210228_100000755133 [0,2,0,0,0,0|0,0,2]=4 3034 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100011214988_100000758301 [0,2,0,0,0,0|0,0,2]=4 3035 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000755133_100000758301 [0,2,0,0,0,0|0,0,2]=4 3036 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000758301_100000755133 [0,2,0,0,0,0|0,0,2]=4 3037 B14R0.32 CCOC(=O)CCCCNCC(C)CC 2230a_100020588543_100000750268 [0,2,0,0,0,0|0,0,2]=4 3038 B14R0.32 CCOC(=O)CCCCNCC(O)CC 2230a_100011218483_100000750268 [0,2,0,0,0,0|0,0,2]=4 3039 B14R0.32 CCOC(=O)CCCCOC[C@@H](C)CC 7a_100009816381_100000750268 [0,2,0,0,0,0|0,0,2]=4 3040 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000748023_100000750268 [0,2,0,0,0,0|0,0,2]=4 3041 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000750268_100000748023 [0,2,0,0,0,0|0,0,2]=4 3042 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100000750268_100011218378 [0,2,0,0,0,0|0,0,2]=4 3043 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100011218378_100000750268 [0,2,0,0,0,0|0,0,2]=4 3044 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100000750268_100009816398 [0,2,0,0,0,0|0,0,2]=4 3045 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100009816398_100000750268 [0,2,0,0,0,0|0,0,2]=4 3046 B14R0.32 CCOC(=O)CCCNCCC(C)CC 2230a_100020591266_100009991533 [0,2,0,0,0,0|0,0,2]=4 3047 B14R0.32 CCOC(=O)CCCOCCC(C)CC 7a_100011215188_100011215271 [0,2,0,0,0,0|0,0,2]=4 3048 B14R0.32 CCOC(=O)CCOCCCC(C)CC 7a_100011216074_100011206558 [0,2,0,0,0,0|0,0,2]=4 3049 B14R0.32 CCOC(=O)COCCCNC(C)CC 2230a_100000209981_100009893628 [0,2,0,0,0,0|1,0,1]=4 3050 B14R0.32 CCOC(=O)COCCCOC(C)CC 7a_100000210228_100009893628 [0,2,0,0,0,0|1,0,1]=4 3051 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100000758301_100009893628 [0,2,0,0,0,0|1,0,1]=4 3052 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100009893628_100000758301 [0,2,0,0,0,0|1,0,1]=4 3053 B14R0.32 CCOC(=O)COCCNCC(C)CC 2230a_100020588543_100000088970 [0,2,0,0,0,0|1,0,1]=4 3054 B14R0.32 CCOC(=O)COCCNCC(O)CC 2230a_100011218483_100000088970 [0,2,0,0,0,0|1,0,1]=4 3055 B14R0.32 CCOC(=O)COCCOC[C@@H](C)CC 7a_100009816381_100000088970 [0,2,0,0,0,0|1,0,1]=4 3056 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000088970_100000748023 [0,2,0,0,0,0|1,0,1]=4 3057 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000748023_100000088970 [0,2,0,0,0,0|1,0,1]=4 3058 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100000088970_100011218378 [0,2,0,0,0,0|1,0,1]=4 3059 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100011218378_100000088970 [0,2,0,0,0,0|1,0,1]=4 3060 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100000088970_100009816398 [0,2,0,0,0,0|1,0,1]=4 3061 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100009816398_100000088970 [0,2,0,0,0,0|1,0,1]=4 3062 B14R0.32 CCOC(=O)CSCCOCC(C)CC 7a_200000230590_100000748023 [0,2,0,0,0,0|1,0,1]=4 3063 B14R0.32 CCOC(=O)CSCCOCC(O)CC 7a_200000230590_100011218378 [0,2,0,0,0,0|1,0,1]=4 3064 B14R0.32 CCOC(=O)CSCCOC[C@@H](C)CC 7a_200000230590_100009816398 [0,2,0,0,0,0|1,0,1]=4 3065 B14R0.32 CCOC(=O)NCCOCCC(C)CC 7a_100011215188_200011445536 [0,2,0,0,0,0|1,0,1]=4 3066 B14R0.73 CCCCCC#CC(=O)CC(=O)OCC 1458a_100011215388_100000188475 [0,2,0,0,0,0|0,0,2]=4 3067 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,2,0,0,0,0|0,0,2]=4 3068 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,2,0,0,0,0|0,0,2]=4 3069 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210681 [0,2,0,0,0,0|0,0,2]=4 3070 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000228206_100000188475 [0,2,0,0,0,0|0,0,2]=4 3071 B14R0.73 CCCCCCCN(C)CC(=O)OCC 269982a_100000228206_100000188475 [0,2,0,0,0,0|0,0,2]=4 3072 B14R0.73 CCCCCCNC(=O)CC(=O)OCC 240690a_100000210581_100000243816 [0,2,0,0,0,0|0,0,2]=4 3073 B14R0.73 CCCCCCNC(C)CC(=O)OCC 2230a_100000210581_100009817359 [0,2,0,0,0,0|0,0,2]=4 3074 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,2,0,0,0,0|0,0,2]=4 3075 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,2,0,0,0,0|0,0,2]=4 3076 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100000210314_100009817359 [0,2,0,0,0,0|0,0,2]=4 3077 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210757 [0,2,0,0,0,0|0,0,2]=4 3078 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,2,0,0,0,0|1,0,1]=4 3079 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,2,0,0,0,0|1,0,1]=4 3080 B14R0.73 CCCCCNCC(=CC(=O)OCC)C 2230a_100000209983_100135422193 [0,2,0,0,0,0|0,0,2]=4 3081 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 34a_100000210253_100135422193 [0,2,0,0,0,0|0,0,2]=4 3082 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 7a_100000210253_100135422193 [0,2,0,0,0,0|0,0,2]=4 3083 B14R0.73 CCCCCOCC(=O)NC(=O)OCC 7a_100000210253_100000010344 [0,2,0,0,0,0|1,0,1]=4 3084 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,2,0,0,0,0|0,0,2]=4 3085 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,2,0,0,0,0|0,0,2]=4 3086 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100000210326_100135422193 [0,2,0,0,0,0|0,0,2]=4 3087 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210326 [0,2,0,0,0,0|0,0,2]=4 3088 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210326 [0,2,0,0,0,0|0,0,2]=4 3089 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210326_100000210311 [0,2,0,0,0,0|0,0,2]=4 3090 B14R0.73 CCCCCSCC(=O)NC(=O)OCC 62a_100000210326_100000010344 [0,2,0,0,0,0|1,0,1]=4 3091 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210326_100000688340 [0,2,0,0,0,0|0,0,2]=4 3092 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210326 [0,2,0,0,0,0|0,0,2]=4 3093 B14R0.73 CCCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100000743108 [0,2,0,0,0,0|0,0,2]=4 3094 B14R0.73 CCCCOCCN(C)CC(=O)OCC 2230a_100000220588_100000743108 [0,2,0,0,0,0|1,0,1]=4 3095 B14R0.73 CCOC(=O)CC(=O)CCCCCCF 1458a_100000243816_100015922095 [0,2,0,0,0,0|0,0,2]=4 3096 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100000243816_100000766143 [0,2,0,0,0,0|0,0,2]=4 3097 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000188475 [0,2,0,0,0,0|0,0,2]=4 3098 B14R0.73 CCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000188475 [0,2,0,0,0,0|0,0,2]=4 3099 B14R0.73 CCOC(=O)CN(C)CCCCCCF 2230a_100000220588_100015922095 [0,2,0,0,0,0|1,0,1]=4 3100 B14R0.73 CCOC(=O)CN(C)CCCCCCO 2230a_100000220588_100000766143 [0,2,0,0,0,0|1,0,1]=4 3101 B14R0.83 C=C(COCCCCCC)C(=O)OCC 34a_100000210259_100000755967 [0,2,0,0,0,0|0,0,2]=4 3102 B14R0.83 C=C(COCCCCCC)C(=O)OCC 7a_100000210259_100000755967 [0,2,0,0,0,0|0,0,2]=4 3103 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000210314_100000755967 [0,2,0,0,0,0|0,0,2]=4 3104 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000755967_100000210757 [0,2,0,0,0,0|0,0,2]=4 3105 B14R0.83 CCCCCC#CCC(=O)C(C)OCC 1458a_100000739345_100009816472 [0,2,0,0,0,0|0,0,2]=4 3106 B14R0.83 CCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210759 [0,2,0,0,0,0|0,0,2]=4 3107 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 11a_100000229938_100014798877 [0,2,0,0,0,0|0,0,2]=4 3108 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 1626a_100000229938_100014798877 [0,2,0,0,0,0|0,0,2]=4 3109 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 240690a_100000229938_100014798877 [0,2,0,0,0,0|0,0,2]=4 3110 B14R0.83 CCCCCCCNC(=O)C(C)OCC 11a_100000229938_100000739345 [0,2,0,0,0,0|1,0,1]=4 3111 B14R0.83 CCCCCCCNC(=O)C(C)OCC 1626a_100000229938_100000739345 [0,2,0,0,0,0|1,0,1]=4 3112 B14R0.83 CCCCCCCNC(=O)C(C)OCC 240690a_100000229938_100000739345 [0,2,0,0,0,0|1,0,1]=4 3113 B14R0.83 CCCCCCCNC(=O)C(C)OCC 527a_100000229938_100000739345 [0,2,0,0,0,0|1,0,1]=4 3114 B14R0.83 CCCCCCCNC(C)C(=O)OCC 2230a_100000229938_100011215307 [0,2,0,0,0,0|0,0,2]=4 3115 B14R0.83 CCCCCCCNC(F)C(=O)OCC 2230a_100000229938_100000760018 [0,2,0,0,0,0|0,0,2]=4 3116 B14R0.83 CCCCCCCOC(C)C(=O)OCC 34a_100000210272_100011216346 [0,2,0,0,0,0|0,0,2]=4 3117 B14R0.83 CCCCCCCOC(C)C(=O)OCC 7a_100000210272_100011216346 [0,2,0,0,0,0|0,0,2]=4 3118 B14R0.83 CCCCCCCOC(F)C(=O)OCC 34a_100000210272_100000760018 [0,2,0,0,0,0|0,0,2]=4 3119 B14R0.83 CCCCCCCOC(F)C(=O)OCC 7a_100000210272_100000040065 [0,2,0,0,0,0|0,0,2]=4 3120 B14R0.83 CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210614 [0,2,0,0,0,0|0,0,2]=4 3121 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100000210614_100011216346 [0,2,0,0,0,0|0,0,2]=4 3122 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210316 [0,2,0,0,0,0|0,0,2]=4 3123 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000210614_100000760018 [0,2,0,0,0,0|0,0,2]=4 3124 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210316 [0,2,0,0,0,0|0,0,2]=4 3125 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000210314_100000211299 [0,2,0,0,0,0|0,0,2]=4 3126 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210757 [0,2,0,0,0,0|0,0,2]=4 3127 B14R0.83 CCCCOCCOC(C)C(=O)OCC 34a_100000210238_100011216346 [0,2,0,0,0,0|1,0,1]=4 3128 B14R0.83 CCCCOCCOC(C)C(=O)OCC 7a_100000210238_100011216346 [0,2,0,0,0,0|1,0,1]=4 3129 B14R0.83 CCCCOCCOC(F)C(=O)OCC 34a_100000210238_100000760018 [0,2,0,0,0,0|1,0,1]=4 3130 B14R0.83 CCCCOCCOC(F)C(=O)OCC 7a_100000210238_100000040065 [0,2,0,0,0,0|1,0,1]=4 3131 B14R0.83 CCCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000743108 [0,2,0,0,0,0|1,0,1]=4 3132 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100000743108_100011216346 [0,2,0,0,0,0|1,0,1]=4 3133 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100011216346_100000743108 [0,2,0,0,0,0|1,0,1]=4 3134 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000743108_100000760018 [0,2,0,0,0,0|1,0,1]=4 3135 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000760018_100000743108 [0,2,0,0,0,0|1,0,1]=4 3136 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 11a_100025743550_100014798877 [0,2,0,0,0,0|1,0,1]=4 3137 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 1626a_100025743550_100014798877 [0,2,0,0,0,0|1,0,1]=4 3138 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 240690a_100025743550_100014798877 [0,2,0,0,0,0|1,0,1]=4 3139 B14R0.83 CCCCSCCNC(C)C(=O)OCC 2230a_100025743550_100011215307 [0,2,0,0,0,0|1,0,1]=4 3140 B14R0.83 CCCCSCCNC(F)C(=O)OCC 2230a_100025743550_100000760018 [0,2,0,0,0,0|1,0,1]=4 3141 B14R0.83 CCCCSCCOC(C)C(=O)OCC 34a_200000230436_100011216346 [0,2,0,0,0,0|1,0,1]=4 3142 B14R0.83 CCCCSCCOC(C)C(=O)OCC 7a_200000230436_100011216346 [0,2,0,0,0,0|1,0,1]=4 3143 B14R0.83 CCCCSCCOC(F)C(=O)OCC 34a_200000230436_100000760018 [0,2,0,0,0,0|1,0,1]=4 3144 B14R0.83 CCCCSCCOC(F)C(=O)OCC 7a_200000230436_100000040065 [0,2,0,0,0,0|1,0,1]=4 3145 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 1626a_100011217757_100014798877 [0,2,0,0,0,0|1,0,1]=4 3146 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 240690a_100011217757_100014798877 [0,2,0,0,0,0|1,0,1]=4 3147 B14R0.83 CCCOCCCNC(C)C(=O)OCC 2230a_100011217757_100011215307 [0,2,0,0,0,0|1,0,1]=4 3148 B14R0.83 CCCOCCCNC(C)C(=O)OCC 34a_100011217757_100011216346 [0,2,0,0,0,0|1,0,1]=4 3149 B14R0.83 CCCOCCCNC(F)C(=O)OCC 2230a_100011217757_100000760018 [0,2,0,0,0,0|1,0,1]=4 3150 B14R0.83 CCCOCCCNC(F)C(=O)OCC 34a_100011217757_100000760018 [0,2,0,0,0,0|1,0,1]=4 3151 B14R0.83 CCNCCCCCC(=O)C(=O)OCC 2230a_100015525214_100000068741 [0,2,0,0,0,0|0,0,2]=4 3152 B14R0.83 CCOC(=O)C(=O)CCCCCSCC 62a_100000210202_100000068741 [0,2,0,0,0,0|0,0,2]=4 3153 B14R0.83 CCOC(=O)C(=O)NCCCCCCO 240690a_100000686447_100014798877 [0,2,0,0,0,0|1,0,1]=4 3154 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 11a_100000747528_100014798877 [0,2,0,0,0,0|1,0,1]=4 3155 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 1626a_100000747528_100014798877 [0,2,0,0,0,0|1,0,1]=4 3156 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 240690a_100000747528_100014798877 [0,2,0,0,0,0|1,0,1]=4 3157 B14R0.83 CCOC(=O)C(C)NCCCCCCO 2230a_100000686447_100011215307 [0,2,0,0,0,0|1,0,1]=4 3158 B14R0.83 CCOC(=O)C(C)NCCCCCCO 34a_100000686447_100011216346 [0,2,0,0,0,0|1,0,1]=4 3159 B14R0.83 CCOC(=O)C(C)NCCCCCOC 2230a_100000747528_100011215307 [0,2,0,0,0,0|1,0,1]=4 3160 B14R0.83 CCOC(=O)C(C)NCCCCCOC 34a_100000747528_100011216346 [0,2,0,0,0,0|1,0,1]=4 3161 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 34a_100011215345_100011216346 [0,2,0,0,0,0|1,0,1]=4 3162 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 7a_100011215345_100011216346 [0,2,0,0,0,0|1,0,1]=4 3163 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 34a_100000766143_100011216346 [0,2,0,0,0,0|1,0,1]=4 3164 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 7a_100000766143_100011216346 [0,2,0,0,0,0|1,0,1]=4 3165 B14R0.83 CCOC(=O)C(C)OCCCCCCF 34a_100000732779_100011216346 [0,2,0,0,0,0|1,0,1]=4 3166 B14R0.83 CCOC(=O)C(C)OCCCCCCF 7a_100000732779_100011216346 [0,2,0,0,0,0|1,0,1]=4 3167 B14R0.83 CCOC(=O)C(C)OCCCCCCN 34a_100000686447_100011216346 [0,2,0,0,0,0|1,0,1]=4 3168 B14R0.83 CCOC(=O)C(C)OCCCCCNC 34a_100000722520_100011216346 [0,2,0,0,0,0|1,0,1]=4 3169 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100011216346_100015922095 [0,2,0,0,0,0|1,0,1]=4 3170 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100015922095_100011216346 [0,2,0,0,0,0|1,0,1]=4 3171 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100000766143_100011216346 [0,2,0,0,0,0|1,0,1]=4 3172 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100011216346_100000766143 [0,2,0,0,0,0|1,0,1]=4 3173 B14R0.83 CCOC(=O)C(F)NCCCCCCO 2230a_100000686447_100000760018 [0,2,0,0,0,0|1,0,1]=4 3174 B14R0.83 CCOC(=O)C(F)NCCCCCCO 34a_100000686447_100000760018 [0,2,0,0,0,0|1,0,1]=4 3175 B14R0.83 CCOC(=O)C(F)NCCCCCOC 2230a_100000747528_100000760018 [0,2,0,0,0,0|1,0,1]=4 3176 B14R0.83 CCOC(=O)C(F)NCCCCCOC 34a_100000747528_100000760018 [0,2,0,0,0,0|1,0,1]=4 3177 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 34a_100011215345_100000760018 [0,2,0,0,0,0|1,0,1]=4 3178 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 7a_100011215345_100000040065 [0,2,0,0,0,0|1,0,1]=4 3179 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 34a_100000766143_100000760018 [0,2,0,0,0,0|1,0,1]=4 3180 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 7a_100000766143_100000040065 [0,2,0,0,0,0|1,0,1]=4 3181 B14R0.83 CCOC(=O)C(F)OCCCCCCF 34a_100000732779_100000760018 [0,2,0,0,0,0|1,0,1]=4 3182 B14R0.83 CCOC(=O)C(F)OCCCCCCF 7a_100000732779_100000040065 [0,2,0,0,0,0|1,0,1]=4 3183 B14R0.83 CCOC(=O)C(F)OCCCCCCN 34a_100000686447_100000760018 [0,2,0,0,0,0|1,0,1]=4 3184 B14R0.83 CCOC(=O)C(F)OCCCCCNC 34a_100000722520_100000760018 [0,2,0,0,0,0|1,0,1]=4 3185 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100000760018_100015922095 [0,2,0,0,0,0|1,0,1]=4 3186 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100015922095_100000760018 [0,2,0,0,0,0|1,0,1]=4 3187 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000760018_100000766143 [0,2,0,0,0,0|1,0,1]=4 3188 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000766143_100000760018 [0,2,0,0,0,0|1,0,1]=4 3189 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCF 7a_100000751109_100015922095 [0,2,0,0,0,0|1,0,1]=4 3190 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCO 7a_100000751109_100000766143 [0,2,0,0,0,0|1,0,1]=4 3191 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100000210183_100000750268 [0,2,0,0,0,0|0,0,2]=4 3192 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210211 [0,2,0,0,0,0|0,0,2]=4 3193 B14R0.163 CCCCC(=O)CCOCC(=O)OCC 1458a_100000210183_100000088970 [0,2,0,0,0,0|1,0,1]=4 3194 B14R0.163 CCCCC(C)COCCC(=O)OCC 34a_100011995851_100000765890 [0,2,0,0,0,0|0,0,2]=4 3195 B14R0.163 CCCCC(C)COCCC(=O)OCC 7a_100011995851_100011206558 [0,2,0,0,0,0|0,0,2]=4 3196 B14R0.163 CCCCC(C)NC/C=C/C(=O)OCC 2230a_100000126638_100016267167 [0,2,0,0,0,0|0,0,2]=4 3197 B14R0.163 CCCCC(C)NCCCC(=O)OCC 2230a_100000126638_100009991533 [0,2,0,0,0,0|0,0,2]=4 3198 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 34a_100000687866_100016267167 [0,2,0,0,0,0|0,0,2]=4 3199 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 7a_100000687866_100016267167 [0,2,0,0,0,0|0,0,2]=4 3200 B14R0.163 CCCCC(C)OCCCC(=O)OCC 34a_100000687866_100009991533 [0,2,0,0,0,0|0,0,2]=4 3201 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100000687866_100011215271 [0,2,0,0,0,0|0,0,2]=4 3202 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011215066 [0,2,0,0,0,0|0,0,2]=4 3203 B14R0.163 CCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011215066 [0,2,0,0,0,0|1,0,1]=4 3204 B14R0.163 CCCCC(C)OCCNC(=O)OCC 7a_100000687866_200011445536 [0,2,0,0,0,0|1,0,1]=4 3205 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_200011215066 [0,2,0,0,0,0|0,0,2]=4 3206 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_200011215066_100016267167 [0,2,0,0,0,0|0,0,2]=4 3207 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011215066 [0,2,0,0,0,0|0,0,2]=4 3208 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_200011215066_100009991533 [0,2,0,0,0,0|0,0,2]=4 3209 B14R0.163 CCCCC(C)SCCNC(=O)OCC 62a_200011215066_200011445536 [0,2,0,0,0,0|1,0,1]=4 3210 B14R0.163 CCCCN(C)CCCCC(=O)OCC 2230a_100000207549_100000750268 [0,2,0,0,0,0|0,0,2]=4 3211 B14R0.163 CCCCN(C)CCCCC(=O)OCC 269982a_100000207549_100000750268 [0,2,0,0,0,0|0,0,2]=4 3212 B14R0.163 CCCCN(C)CCOCC(=O)OCC 2230a_100000207549_100000088970 [0,2,0,0,0,0|1,0,1]=4 3213 B14R0.163 CCCCN(C)CCOCC(=O)OCC 269982a_100000207549_100000088970 [0,2,0,0,0,0|1,0,1]=4 3214 B14R0.163 CCCC[C@H](N)COCCC(=O)OCC 34a_100011934283_100000765890 [0,2,0,0,0,0|0,0,2]=4 3215 B14R0.163 CCCOC(=O)COCCC(C)CCC 34a_100011217855_200011215008 [0,2,0,0,0,0|1,0,1]=4 3216 B14R0.163 CCCOC(=O)COCCC(C)CCC 7a_100011217855_200011215008 [0,2,0,0,0,0|1,0,1]=4 3217 B14R0.163 CCCOC(=O)COCC[C@@H](N)CCC 34a_100015193777_200011215008 [0,2,0,0,0,0|1,0,1]=4 3218 B14R0.199 CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210757 [0,2,0,0,0,0|0,0,2]=4 3219 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,2,0,0,0,0|0,0,2]=4 3220 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,2,0,0,0,0|0,0,2]=4 3221 B14R0.199 CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100102632555 [0,2,0,0,0,0|0,0,2]=4 3222 B14R0.199 CCCCCCC(C)NCC(=O)OCC 2230a_100000210919_100000188475 [0,2,0,0,0,0|0,0,2]=4 3223 B14R0.199 CCCCCCC(C)NCC(=O)OCC 34a_100000210919_100000188475 [0,2,0,0,0,0|0,0,2]=4 3224 B14R0.199 CCCCCCC(C)OCC(=O)OCC 34a_100000210265_100000188475 [0,2,0,0,0,0|0,0,2]=4 3225 B14R0.199 CCCCCCC(C)OCC(=O)OCC 7a_100000210265_100000188475 [0,2,0,0,0,0|0,0,2]=4 3226 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100000188475_100011215978 [0,2,0,0,0,0|0,0,2]=4 3227 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100011215978_100000188475 [0,2,0,0,0,0|0,0,2]=4 3228 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210314 [0,2,0,0,0,0|0,0,2]=4 3229 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_106256046315_100011206558 [0,2,0,0,0,0|0,0,2]=4 3230 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210757 [0,2,0,0,0,0|0,0,2]=4 3231 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_106256046315_100011206558 [0,2,0,0,0,0|0,0,2]=4 3232 B14R0.199 CCCCCNC(C)CCC(=O)OCC 2230a_100000209983_100000748298 [0,2,0,0,0,0|0,0,2]=4 3233 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,2,0,0,0,0|0,0,2]=4 3234 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,2,0,0,0,0|0,0,2]=4 3235 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000210326_100000748298 [0,2,0,0,0,0|0,0,2]=4 3236 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210326 [0,2,0,0,0,0|0,0,2]=4 3237 B14R0.199 CCCCOCC(C)OCC(=O)OCC 34a_100011217071_100000188475 [0,2,0,0,0,0|1,0,1]=4 3238 B14R0.199 CCCCOCC(C)OCC(=O)OCC 7a_100011217071_100000188475 [0,2,0,0,0,0|1,0,1]=4 3239 B14R0.391 CC(C)OC(=O)CNCCCCCCO 2230a_100000686447_100011215430 [0,2,0,0,0,0|1,0,1]=4 3240 B14R0.391 CC(C)OC(=O)CNCCCCCCO 34a_100000686447_100011215430 [0,2,0,0,0,0|1,0,1]=4 3241 B14R0.391 CC(C)OC(=O)COCCCCCCBr 34a_100011215345_100011215430 [0,2,0,0,0,0|1,0,1]=4 3242 B14R0.391 CC(C)OC(=O)COCCCCCCBr 7a_100011215345_100011215430 [0,2,0,0,0,0|1,0,1]=4 3243 B14R0.391 CC(C)OC(=O)COCCCCCCCl 34a_100000766143_100011215430 [0,2,0,0,0,0|1,0,1]=4 3244 B14R0.391 CC(C)OC(=O)COCCCCCCCl 7a_100000766143_100011215430 [0,2,0,0,0,0|1,0,1]=4 3245 B14R0.391 CC(C)OC(=O)COCCCCCCF 34a_100000732779_100011215430 [0,2,0,0,0,0|1,0,1]=4 3246 B14R0.391 CC(C)OC(=O)COCCCCCCF 7a_100000732779_100011215430 [0,2,0,0,0,0|1,0,1]=4 3247 B14R0.391 CC(C)OC(=O)COCCCCCCN 34a_100000686447_100011215430 [0,2,0,0,0,0|1,0,1]=4 3248 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100011215430_100015922095 [0,2,0,0,0,0|1,0,1]=4 3249 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100015922095_100011215430 [0,2,0,0,0,0|1,0,1]=4 3250 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100000766143_100011215430 [0,2,0,0,0,0|1,0,1]=4 3251 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100011215430_100000766143 [0,2,0,0,0,0|1,0,1]=4 3252 B14R0.391 CCCCCCCNCC(=O)OC(C)C 2230a_100000229938_100011215430 [0,2,0,0,0,0|0,0,2]=4 3253 B14R0.391 CCCCCCCOCC(=O)OC(C)C 34a_100000210272_100011215430 [0,2,0,0,0,0|0,0,2]=4 3254 B14R0.391 CCCCCCCOCC(=O)OC(C)C 7a_100000210272_100011215430 [0,2,0,0,0,0|0,0,2]=4 3255 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100000210614_100011215430 [0,2,0,0,0,0|0,0,2]=4 3256 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210316 [0,2,0,0,0,0|0,0,2]=4 3257 B14R0.391 CCCCCCNCCC(=O)OC(C)C 2230a_100000210581_100000760027 [0,2,0,0,0,0|0,0,2]=4 3258 B14R0.391 CCCCCCOCCC(=O)OC(C)C 7a_100000210259_100000760027 [0,2,0,0,0,0|0,0,2]=4 3259 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000210314_100000760027 [0,2,0,0,0,0|0,0,2]=4 3260 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210757 [0,2,0,0,0,0|0,0,2]=4 3261 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210757 [0,2,0,0,0,0|1,0,1]=4 3262 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000210314_100000003507 [0,2,0,0,0,0|1,0,1]=4 3263 B14R0.391 CCCCOCCOCC(=O)OC(C)C 34a_100000210238_100011215430 [0,2,0,0,0,0|1,0,1]=4 3264 B14R0.391 CCCCOCCOCC(=O)OC(C)C 7a_100000210238_100011215430 [0,2,0,0,0,0|1,0,1]=4 3265 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100000743108_100011215430 [0,2,0,0,0,0|1,0,1]=4 3266 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100011215430_100000743108 [0,2,0,0,0,0|1,0,1]=4 3267 B14R0.391 CCCCSCCNCC(=O)OC(C)C 2230a_100025743550_100011215430 [0,2,0,0,0,0|1,0,1]=4 3268 B14R0.391 CCCCSCCOCC(=O)OC(C)C 34a_200000230436_100011215430 [0,2,0,0,0,0|1,0,1]=4 3269 B14R0.391 CCCCSCCOCC(=O)OC(C)C 7a_200000230436_100011215430 [0,2,0,0,0,0|1,0,1]=4 3270 B14R0.391 CCCOCCCCCC(=O)OC(C)C 34a_100000210258_200010986244 [0,2,0,0,0,0|0,0,2]=4 3271 B14R0.391 CCCOCCCNCC(=O)OC(C)C 2230a_100011217757_100011215430 [0,2,0,0,0,0|1,0,1]=4 3272 B14R0.391 CCCOCCCNCC(=O)OC(C)C 34a_100011217757_100011215430 [0,2,0,0,0,0|1,0,1]=4 3273 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_100000210303_200010986244 [0,2,0,0,0,0|0,0,2]=4 3274 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210303 [0,2,0,0,0,0|0,0,2]=4 3275 B14R0.391 CNCCCCCOCC(=O)OC(C)C 34a_100000722520_100011215430 [0,2,0,0,0,0|1,0,1]=4 3276 B14R0.391 COCCCCCNCC(=O)OC(C)C 2230a_100000747528_100011215430 [0,2,0,0,0,0|1,0,1]=4 3277 B14R0.391 COCCCCCNCC(=O)OC(C)C 34a_100000747528_100011215430 [0,2,0,0,0,0|1,0,1]=4 3278 B14R0.393 C#CCCCCCCOCC(=O)OCC 34a_100011217361_100000188475 [0,2,0,0,0,0|1,0,1]=4 3279 B14R0.393 C#CCCCCCCOCC(=O)OCC 7a_100011217361_100000188475 [0,2,0,0,0,0|1,0,1]=4 3280 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100000188475_100012276617 [0,2,0,0,0,0|1,0,1]=4 3281 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100012276617_100000188475 [0,2,0,0,0,0|1,0,1]=4 3282 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [0,2,0,0,0,0|1,0,1]=4 3283 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [0,2,0,0,0,0|1,0,1]=4 3284 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100000188475_100011215473 [0,2,0,0,0,0|1,0,1]=4 3285 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100011215473_100000188475 [0,2,0,0,0,0|1,0,1]=4 3286 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 34a_100016287862_100000188475 [0,2,0,0,0,0|1,0,1]=4 3287 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 7a_100016287862_100000188475 [0,2,0,0,0,0|1,0,1]=4 3288 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 34a_200016286491_100000188475 [0,2,0,0,0,0|1,0,1]=4 3289 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 7a_200016286491_100000188475 [0,2,0,0,0,0|1,0,1]=4 3290 B14R0.393 CCCCC#CCCOCC(=O)OCC 34a_100000037610_100000188475 [0,2,0,0,0,0|1,0,1]=4 3291 B14R0.393 CCCCC#CCCOCC(=O)OCC 7a_100000037610_100000188475 [0,2,0,0,0,0|1,0,1]=4 3292 B14R0.393 CCCCC/C=C/COCC(=O)OCC 34a_100016258190_100000188475 [0,2,0,0,0,0|1,0,1]=4 3293 B14R0.393 CCCCC/C=C/COCC(=O)OCC 7a_100016258190_100000188475 [0,2,0,0,0,0|1,0,1]=4 3294 B14R0.393 CCCCCC#CCOCC(=O)OCC 34a_200000033628_100000188475 [0,2,0,0,0,0|0,0,2]=4 3295 B14R0.393 CCCCCC#CCOCC(=O)OCC 7a_200000033628_100000188475 [0,2,0,0,0,0|0,0,2]=4 3296 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100000188475_100009816472 [0,2,0,0,0,0|0,0,2]=4 3297 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100009816472_100000188475 [0,2,0,0,0,0|0,0,2]=4 3298 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,2,0,0,0,0|0,0,2]=4 3299 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,2,0,0,0,0|0,0,2]=4 3300 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,2,0,0,0,0|0,0,2]=4 3301 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,2,0,0,0,0|0,0,2]=4 3302 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,2,0,0,0,0|0,0,2]=4 3303 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,2,0,0,0,0|0,0,2]=4 3304 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,2,0,0,0,0|0,0,2]=4 3305 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,2,0,0,0,0|0,0,2]=4 3306 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,2,0,0,0,0|0,0,2]=4 3307 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,2,0,0,0,0|0,0,2]=4 3308 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,2,0,0,0,0|0,0,2]=4 3309 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,2,0,0,0,0|0,0,2]=4 3310 B14R0.393 CCCCCCNC/C=C/C(=O)OCC 2230a_100000210581_100016267167 [0,2,0,0,0,0|0,0,2]=4 3311 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,2,0,0,0,0|0,0,2]=4 3312 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 34a_100000210259_100016267167 [0,2,0,0,0,0|0,0,2]=4 3313 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 7a_100000210259_100016267167 [0,2,0,0,0,0|0,0,2]=4 3314 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,2,0,0,0,0|0,0,2]=4 3315 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,2,0,0,0,0|0,0,2]=4 3316 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,2,0,0,0,0|0,0,2]=4 3317 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,2,0,0,0,0|0,0,2]=4 3318 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,2,0,0,0,0|0,0,2]=4 3319 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100000210314_100016267167 [0,2,0,0,0,0|0,0,2]=4 3320 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210757 [0,2,0,0,0,0|0,0,2]=4 3321 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,2,0,0,0,0|0,0,2]=4 3322 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,2,0,0,0,0|0,0,2]=4 3323 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,2,0,0,0,0|0,0,2]=4 3324 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,2,0,0,0,0|0,0,2]=4 3325 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,2,0,0,0,0|0,0,2]=4 3326 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,2,0,0,0,0|0,0,2]=4 3327 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,2,0,0,0,0|0,0,2]=4 3328 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,2,0,0,0,0|0,0,2]=4 3329 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,2,0,0,0,0|0,0,2]=4 3330 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,2,0,0,0,0|0,0,2]=4 3331 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,2,0,0,0,0|0,0,2]=4 3332 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,2,0,0,0,0|0,0,2]=4 3333 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [0,2,0,0,0,0|0,0,2]=4 3334 B14R0.393 CCCCCSCC=NNC(=O)OCC 62a_100000210326_100015372823 [0,2,0,0,0,0|1,0,1]=4 3335 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,2,0,0,0,0|0,0,2]=4 3336 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,2,0,0,0,0|0,0,2]=4 3337 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,2,0,0,0,0|0,0,2]=4 3338 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,2,0,0,0,0|0,0,2]=4 3339 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,2,0,0,0,0|0,0,2]=4 3340 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,2,0,0,0,0|0,0,2]=4 3341 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,2,0,0,0,0|0,0,2]=4 3342 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,2,0,0,0,0|0,0,2]=4 3343 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,2,0,0,0,0|0,0,2]=4 3344 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,2,0,0,0,0|0,0,2]=4 3345 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,2,0,0,0,0|0,0,2]=4 3346 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [0,2,0,0,0,0|0,0,2]=4 3347 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [0,2,0,0,0,0|0,0,2]=4 3348 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,2,0,0,0,0|0,0,2]=4 3349 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,2,0,0,0,0|0,0,2]=4 3350 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,2,0,0,0,0|0,0,2]=4 3351 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,2,0,0,0,0|0,0,2]=4 3352 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [0,2,0,0,0,0|0,0,2]=4 3353 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [0,2,0,0,0,0|0,0,2]=4 3354 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [0,2,0,0,0,0|0,0,2]=4 3355 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [0,2,0,0,0,0|0,0,2]=4 3356 B14R0.393 CCCCOCCSCOC(=O)OCC 62a_100000743108_100000075025 [0,2,0,0,0,0|1,0,1]=4 3357 B14R0.393 CCCCOCOCCNC(=O)OCC 34a_100000158857_100011995733 [0,2,0,0,0,0|1,0,1]=4 3358 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100011995733_100016267167 [0,2,0,0,0,0|0,0,2]=4 3359 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100016267167_100011995733 [0,2,0,0,0,0|0,0,2]=4 3360 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [0,2,0,0,0,0|0,0,2]=4 3361 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [0,2,0,0,0,0|0,0,2]=4 3362 B14R0.393 CCCCOCSCCNC(=O)OCC 62a_100011995733_200011445536 [0,2,0,0,0,0|1,0,1]=4 3363 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,2,0,0,0,0|0,0,2]=4 3364 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,2,0,0,0,0|0,0,2]=4 3365 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,2,0,0,0,0|0,0,2]=4 3366 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,2,0,0,0,0|0,0,2]=4 3367 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [0,2,0,0,0,0|0,0,2]=4 3368 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [0,2,0,0,0,0|0,0,2]=4 3369 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [0,2,0,0,0,0|0,0,2]=4 3370 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,2,0,0,0,0|0,0,2]=4 3371 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [0,2,0,0,0,0|0,0,2]=4 3372 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [0,2,0,0,0,0|0,0,2]=4 3373 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 2230a_100161115042_100016267167 [0,2,0,0,0,0|0,0,2]=4 3374 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 34a_100161115042_100016267167 [0,2,0,0,0,0|0,0,2]=4 3375 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [0,2,0,0,0,0|0,0,2]=4 3376 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [0,2,0,0,0,0|0,0,2]=4 3377 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 34a_100000752267_100016267167 [0,2,0,0,0,0|0,0,2]=4 3378 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 7a_100000752267_100016267167 [0,2,0,0,0,0|0,0,2]=4 3379 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [0,2,0,0,0,0|0,0,2]=4 3380 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [0,2,0,0,0,0|0,0,2]=4 3381 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [0,2,0,0,0,0|0,0,2]=4 3382 B14R0.393 CCCOCCOCCNC(=O)OCC 34a_100000158857_100011215938 [0,2,0,0,0,0|1,0,1]=4 3383 B14R0.393 CCCOCCOCCNC(=O)OCC 7a_100000752267_200011445536 [0,2,0,0,0,0|1,0,1]=4 3384 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100011215938_100016267167 [0,2,0,0,0,0|0,0,2]=4 3385 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215938 [0,2,0,0,0,0|0,0,2]=4 3386 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [0,2,0,0,0,0|0,0,2]=4 3387 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [0,2,0,0,0,0|0,0,2]=4 3388 B14R0.393 CCCOCCSCCNC(=O)OCC 62a_100011215938_200011445536 [0,2,0,0,0,0|1,0,1]=4 3389 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,2,0,0,0,0|0,0,2]=4 3390 B14R0.393 CCCSCCNC/C=C/C(=O)OCC 2230a_100020603323_100016267167 [0,2,0,0,0,0|0,0,2]=4 3391 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [0,2,0,0,0,0|0,0,2]=4 3392 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 34a_200000230433_100016267167 [0,2,0,0,0,0|0,0,2]=4 3393 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 7a_200000230433_100016267167 [0,2,0,0,0,0|0,0,2]=4 3394 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [0,2,0,0,0,0|0,0,2]=4 3395 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [0,2,0,0,0,0|0,0,2]=4 3396 B14R0.393 CCCSCCOCCNC(=O)OCC 7a_200000230433_200011445536 [0,2,0,0,0,0|1,0,1]=4 3397 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,2,0,0,0,0|0,0,2]=4 3398 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 2230a_100000762737_100016267167 [0,2,0,0,0,0|0,0,2]=4 3399 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 34a_100000762737_100016267167 [0,2,0,0,0,0|0,0,2]=4 3400 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 34a_100000746331_100016267167 [0,2,0,0,0,0|0,0,2]=4 3401 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 7a_100000746331_100016267167 [0,2,0,0,0,0|0,0,2]=4 3402 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 34a_100000746330_100016267167 [0,2,0,0,0,0|0,0,2]=4 3403 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 7a_100000746330_100016267167 [0,2,0,0,0,0|0,0,2]=4 3404 B14R0.393 CCOC(=O)/C=C/COCCCCCI 34a_200012148887_100016267167 [0,2,0,0,0,0|0,0,2]=4 3405 B14R0.393 CCOC(=O)/C=C/COCCCCCI 7a_200012148887_100016267167 [0,2,0,0,0,0|0,0,2]=4 3406 B14R0.393 CCOC(=O)/C=C/COCCCCCN 34a_100000762737_100016267167 [0,2,0,0,0,0|0,0,2]=4 3407 B14R0.393 CCOC(=O)/C=C/COCCCCOC 34a_100000740925_100016267167 [0,2,0,0,0,0|0,0,2]=4 3408 B14R0.393 CCOC(=O)/C=C/COCCCCSC 34a_100011217163_100016267167 [0,2,0,0,0,0|0,0,2]=4 3409 B14R0.393 CCOC(=O)/C=C/COCCCCSC 7a_100011217163_100016267167 [0,2,0,0,0,0|0,0,2]=4 3410 B14R0.393 CCOC(=O)/C=C/COCCCSCC 34a_100011216438_100016267167 [0,2,0,0,0,0|0,0,2]=4 3411 B14R0.393 CCOC(=O)/C=C/COCCCSCC 7a_100011216438_100016267167 [0,2,0,0,0,0|0,0,2]=4 3412 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100000729378_100016267167 [0,2,0,0,0,0|0,0,2]=4 3413 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100016267167_100000729378 [0,2,0,0,0,0|0,0,2]=4 3414 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100000746330_100016267167 [0,2,0,0,0,0|0,0,2]=4 3415 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100016267167_100000746330 [0,2,0,0,0,0|0,0,2]=4 3416 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100000730899_100016267167 [0,2,0,0,0,0|0,0,2]=4 3417 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100016267167_100000730899 [0,2,0,0,0,0|0,0,2]=4 3418 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,2,0,0,0,0|0,0,2]=4 3419 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,2,0,0,0,0|0,0,2]=4 3420 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,2,0,0,0,0|0,0,2]=4 3421 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,2,0,0,0,0|0,0,2]=4 3422 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,2,0,0,0,0|0,0,2]=4 3423 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,2,0,0,0,0|0,0,2]=4 3424 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,2,0,0,0,0|0,0,2]=4 3425 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,2,0,0,0,0|0,0,2]=4 3426 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,2,0,0,0,0|0,0,2]=4 3427 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,2,0,0,0,0|0,0,2]=4 3428 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,2,0,0,0,0|0,0,2]=4 3429 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,2,0,0,0,0|0,0,2]=4 3430 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,2,0,0,0,0|0,0,2]=4 3431 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,2,0,0,0,0|0,0,2]=4 3432 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,2,0,0,0,0|0,0,2]=4 3433 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,2,0,0,0,0|0,0,2]=4 3434 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,2,0,0,0,0|0,0,2]=4 3435 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,2,0,0,0,0|0,0,2]=4 3436 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,2,0,0,0,0|0,0,2]=4 3437 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,2,0,0,0,0|0,0,2]=4 3438 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,2,0,0,0,0|0,0,2]=4 3439 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,2,0,0,0,0|0,0,2]=4 3440 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,2,0,0,0,0|0,0,2]=4 3441 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,2,0,0,0,0|0,0,2]=4 3442 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,2,0,0,0,0|0,0,2]=4 3443 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,2,0,0,0,0|0,0,2]=4 3444 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,2,0,0,0,0|0,0,2]=4 3445 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,2,0,0,0,0|0,0,2]=4 3446 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,2,0,0,0,0|0,0,2]=4 3447 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,2,0,0,0,0|0,0,2]=4 3448 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,2,0,0,0,0|0,0,2]=4 3449 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,2,0,0,0,0|0,0,2]=4 3450 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,2,0,0,0,0|0,0,2]=4 3451 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,2,0,0,0,0|0,0,2]=4 3452 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,2,0,0,0,0|0,0,2]=4 3453 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,2,0,0,0,0|0,0,2]=4 3454 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,2,0,0,0,0|0,0,2]=4 3455 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,2,0,0,0,0|0,0,2]=4 3456 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,2,0,0,0,0|0,0,2]=4 3457 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,2,0,0,0,0|0,0,2]=4 3458 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,2,0,0,0,0|0,0,2]=4 3459 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,2,0,0,0,0|0,0,2]=4 3460 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,2,0,0,0,0|0,0,2]=4 3461 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,2,0,0,0,0|0,0,2]=4 3462 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [0,2,0,0,0,0|0,0,2]=4 3463 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,2,0,0,0,0|0,0,2]=4 3464 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,2,0,0,0,0|0,0,2]=4 3465 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,2,0,0,0,0|0,0,2]=4 3466 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,2,0,0,0,0|0,0,2]=4 3467 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,2,0,0,0,0|0,0,2]=4 3468 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,2,0,0,0,0|0,0,2]=4 3469 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,2,0,0,0,0|0,0,2]=4 3470 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,2,0,0,0,0|0,0,2]=4 3471 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,2,0,0,0,0|0,0,2]=4 3472 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,2,0,0,0,0|0,0,2]=4 3473 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,2,0,0,0,0|0,0,2]=4 3474 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [0,2,0,0,0,0|0,0,2]=4 3475 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [0,2,0,0,0,0|0,0,2]=4 3476 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,2,0,0,0,0|0,0,2]=4 3477 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,2,0,0,0,0|0,0,2]=4 3478 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,2,0,0,0,0|0,0,2]=4 3479 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,2,0,0,0,0|0,0,2]=4 3480 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,2,0,0,0,0|0,0,2]=4 3481 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,2,0,0,0,0|0,0,2]=4 3482 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [0,2,0,0,0,0|0,0,2]=4 3483 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [0,2,0,0,0,0|0,0,2]=4 3484 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,2,0,0,0,0|0,0,2]=4 3485 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,2,0,0,0,0|0,0,2]=4 3486 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,2,0,0,0,0|0,0,2]=4 3487 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,2,0,0,0,0|0,0,2]=4 3488 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,2,0,0,0,0|0,0,2]=4 3489 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,2,0,0,0,0|0,0,2]=4 3490 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,2,0,0,0,0|0,0,2]=4 3491 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,2,0,0,0,0|0,0,2]=4 3492 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,2,0,0,0,0|0,0,2]=4 3493 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,2,0,0,0,0|0,0,2]=4 3494 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,2,0,0,0,0|0,0,2]=4 3495 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,2,0,0,0,0|0,0,2]=4 3496 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,2,0,0,0,0|0,0,2]=4 3497 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,2,0,0,0,0|0,0,2]=4 3498 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,2,0,0,0,0|0,0,2]=4 3499 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [0,2,0,0,0,0|0,0,2]=4 3500 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [0,2,0,0,0,0|0,0,2]=4 3501 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,2,0,0,0,0|0,0,2]=4 3502 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,2,0,0,0,0|0,0,2]=4 3503 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,2,0,0,0,0|0,0,2]=4 3504 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,2,0,0,0,0|0,0,2]=4 3505 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,2,0,0,0,0|0,0,2]=4 3506 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,2,0,0,0,0|0,0,2]=4 3507 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,2,0,0,0,0|0,0,2]=4 3508 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,2,0,0,0,0|0,0,2]=4 3509 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,2,0,0,0,0|0,0,2]=4 3510 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,2,0,0,0,0|0,0,2]=4 3511 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,2,0,0,0,0|0,0,2]=4 3512 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,2,0,0,0,0|0,0,2]=4 3513 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,2,0,0,0,0|0,0,2]=4 3514 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,2,0,0,0,0|0,0,2]=4 3515 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,2,0,0,0,0|0,0,2]=4 3516 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,2,0,0,0,0|0,0,2]=4 3517 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,2,0,0,0,0|0,0,2]=4 3518 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,2,0,0,0,0|0,0,2]=4 3519 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,2,0,0,0,0|0,0,2]=4 3520 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,2,0,0,0,0|0,0,2]=4 3521 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,2,0,0,0,0|0,0,2]=4 3522 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,2,0,0,0,0|0,0,2]=4 3523 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,2,0,0,0,0|0,0,2]=4 3524 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,2,0,0,0,0|0,0,2]=4 3525 B14R0.393 CCOC(=O)CNCCCOCCCO 2230a_100011310245_100000188475 [0,2,0,0,0,0|1,0,1]=4 3526 B14R0.393 CCOC(=O)CNCCCOCCCO 34a_100011310245_100000188475 [0,2,0,0,0,0|1,0,1]=4 3527 B14R0.393 CCOC(=O)CNCCCOCCOC 2230a_100000206027_100000188475 [0,2,0,0,0,0|1,0,1]=4 3528 B14R0.393 CCOC(=O)CNCCCOCCOC 34a_100000206027_100000188475 [0,2,0,0,0,0|1,0,1]=4 3529 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,2,0,0,0,0|0,0,2]=4 3530 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,2,0,0,0,0|0,0,2]=4 3531 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,2,0,0,0,0|0,0,2]=4 3532 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,2,0,0,0,0|0,0,2]=4 3533 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,2,0,0,0,0|0,0,2]=4 3534 B14R0.393 CCOC(=O)COCCCNCCCF 2230a_100015189416_100009893628 [0,2,0,0,0,0|1,0,1]=4 3535 B14R0.393 CCOC(=O)COCCCNCCCF 34a_100015189416_100009893628 [0,2,0,0,0,0|1,0,1]=4 3536 B14R0.393 CCOC(=O)COCCCNCCOC 2230a_100000209980_100009893628 [0,2,0,0,0,0|1,0,1]=4 3537 B14R0.393 CCOC(=O)COCCCNCCSC 2230a_100020590264_100009893628 [0,2,0,0,0,0|1,0,1]=4 3538 B14R0.393 CCOC(=O)COCCCOCCCBr 34a_100011217188_100009893628 [0,2,0,0,0,0|1,0,1]=4 3539 B14R0.393 CCOC(=O)COCCCOCCCCl 34a_100000230001_100009893628 [0,2,0,0,0,0|1,0,1]=4 3540 B14R0.393 CCOC(=O)COCCCOCCCF 34a_100000759539_100009893628 [0,2,0,0,0,0|1,0,1]=4 3541 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100000182051_100009893628 [0,2,0,0,0,0|1,0,1]=4 3542 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100011310245_100000188475 [0,2,0,0,0,0|1,0,1]=4 3543 B14R0.393 CCOC(=O)COCCCOCCOC 34a_100000210237_100009893628 [0,2,0,0,0,0|1,0,1]=4 3544 B14R0.393 CCOC(=O)COCCCOCCSC 34a_100000230434_100009893628 [0,2,0,0,0,0|1,0,1]=4 3545 B14R0.393 CCOC(=O)COCCCOCCSC 7a_100000230434_100009893628 [0,2,0,0,0,0|1,0,1]=4 3546 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100009893628_100011934791 [0,2,0,0,0,0|1,0,1]=4 3547 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100011934791_100009893628 [0,2,0,0,0,0|1,0,1]=4 3548 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100009893628_100011215043 [0,2,0,0,0,0|1,0,1]=4 3549 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100011215043_100009893628 [0,2,0,0,0,0|1,0,1]=4 3550 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100000233755_100009893628 [0,2,0,0,0,0|1,0,1]=4 3551 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100009893628_100000233755 [0,2,0,0,0,0|1,0,1]=4 3552 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100000212216_100009893628 [0,2,0,0,0,0|1,0,1]=4 3553 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100009893628_100000751147 [0,2,0,0,0,0|1,0,1]=4 3554 B14R0.393 CCOC(=O)COCCNCCCCO 2230a_100000750430_100000088970 [0,2,0,0,0,0|1,0,1]=4 3555 B14R0.393 CCOC(=O)COCCNCCCCO 34a_100000750430_100000088970 [0,2,0,0,0,0|1,0,1]=4 3556 B14R0.393 CCOC(=O)COCCNCCCOC 34a_100150723488_100000088970 [0,2,0,0,0,0|1,0,1]=4 3557 B14R0.393 CCOC(=O)COCCNCCCSC 2230a_100000749238_100000088970 [0,2,0,0,0,0|1,0,1]=4 3558 B14R0.393 CCOC(=O)COCCNCCSCC 2230a_100000106463_100000088970 [0,2,0,0,0,0|1,0,1]=4 3559 B14R0.393 CCOC(=O)COCCOCCCCBr 34a_100011216708_100000088970 [0,2,0,0,0,0|1,0,1]=4 3560 B14R0.393 CCOC(=O)COCCOCCCCCl 34a_100000210776_100000088970 [0,2,0,0,0,0|1,0,1]=4 3561 B14R0.393 CCOC(=O)COCCOCCCCCl 7a_100000210776_100000088970 [0,2,0,0,0,0|1,0,1]=4 3562 B14R0.393 CCOC(=O)COCCOCCCCF 34a_100011995726_100000088970 [0,2,0,0,0,0|1,0,1]=4 3563 B14R0.393 CCOC(=O)COCCOCCCCF 7a_100011995726_100000088970 [0,2,0,0,0,0|1,0,1]=4 3564 B14R0.393 CCOC(=O)COCCOCCCCI 34a_200012148704_100000088970 [0,2,0,0,0,0|1,0,1]=4 3565 B14R0.393 CCOC(=O)COCCOCCCCN 34a_100000750430_100000088970 [0,2,0,0,0,0|1,0,1]=4 3566 B14R0.393 CCOC(=O)COCCOCCCNC 34a_100000213112_100000088970 [0,2,0,0,0,0|1,0,1]=4 3567 B14R0.393 CCOC(=O)COCCOCCCOC 34a_100000740835_100000088970 [0,2,0,0,0,0|1,0,1]=4 3568 B14R0.393 CCOC(=O)COCCOCCCSC 34a_100000690336_100000088970 [0,2,0,0,0,0|1,0,1]=4 3569 B14R0.393 CCOC(=O)COCCOCCCSC 7a_100000690336_100000088970 [0,2,0,0,0,0|1,0,1]=4 3570 B14R0.393 CCOC(=O)COCCOCCSCC 34a_100000212035_100000088970 [0,2,0,0,0,0|1,0,1]=4 3571 B14R0.393 CCOC(=O)COCCOCCSCC 7a_100000212035_100000088970 [0,2,0,0,0,0|1,0,1]=4 3572 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000088970_100000729493 [0,2,0,0,0,0|1,0,1]=4 3573 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000729493_100000088970 [0,2,0,0,0,0|1,0,1]=4 3574 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000088970_100000210776 [0,2,0,0,0,0|1,0,1]=4 3575 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000210776_100000088970 [0,2,0,0,0,0|1,0,1]=4 3576 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000088970_100000709357 [0,2,0,0,0,0|1,0,1]=4 3577 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000709357_100000088970 [0,2,0,0,0,0|1,0,1]=4 3578 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000088970_100000757381 [0,2,0,0,0,0|1,0,1]=4 3579 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000757381_100000088970 [0,2,0,0,0,0|1,0,1]=4 3580 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100000188475_100009813337 [0,2,0,0,0,0|1,0,1]=4 3581 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100009813337_100000188475 [0,2,0,0,0,0|1,0,1]=4 3582 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,2,0,0,0,0|0,0,2]=4 3583 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,2,0,0,0,0|0,0,2]=4 3584 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,2,0,0,0,0|0,0,2]=4 3585 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,2,0,0,0,0|0,0,2]=4 3586 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100000188475_100011216529 [0,2,0,0,0,0|1,0,1]=4 3587 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100011216529_100000188475 [0,2,0,0,0,0|1,0,1]=4 3588 B14R0.393 CCOC(=O)CSCCOCCCCF 7a_200000230590_100000729493 [0,2,0,0,0,0|1,0,1]=4 3589 B14R0.393 CCOC(=O)CSCCOCCCCO 7a_200000230590_100000210776 [0,2,0,0,0,0|1,0,1]=4 3590 B14R0.393 CCOC(=O)CSCCOCCCOC 7a_200000230590_100000740836 [0,2,0,0,0,0|1,0,1]=4 3591 B14R0.393 CCOC(=O)CSCCOCCSCC 7a_200000230590_100000757381 [0,2,0,0,0,0|1,0,1]=4 3592 B14R0.393 CCOC(=O)NCCOCCCCCBr 7a_100000746331_200011445536 [0,2,0,0,0,0|1,0,1]=4 3593 B14R0.393 CCOC(=O)NCCOCCCCCCl 7a_100000746330_200011445536 [0,2,0,0,0,0|1,0,1]=4 3594 B14R0.393 CCOC(=O)NCCOCCCCCF 34a_100000158857_100000729378 [0,2,0,0,0,0|1,0,1]=4 3595 B14R0.393 CCOC(=O)NCCOCCCCCI 7a_200012148887_200011445536 [0,2,0,0,0,0|1,0,1]=4 3596 B14R0.393 CCOC(=O)NCCOCCCCCO 34a_100000158857_100000746330 [0,2,0,0,0,0|1,0,1]=4 3597 B14R0.393 CCOC(=O)NCCOCCCCOC 34a_100000158857_100000755781 [0,2,0,0,0,0|1,0,1]=4 3598 B14R0.393 CCOC(=O)NCCOCCCCSC 7a_100011217163_200011445536 [0,2,0,0,0,0|1,0,1]=4 3599 B14R0.393 CCOC(=O)NCCOCCCSCC 7a_100011216438_200011445536 [0,2,0,0,0,0|1,0,1]=4 3600 B14R0.393 CCOC(=O)NCCSCCCCCF 62a_100000729378_200011445536 [0,2,0,0,0,0|1,0,1]=4 3601 B14R0.393 CCOC(=O)NCCSCCCCCO 62a_100000746330_200011445536 [0,2,0,0,0,0|1,0,1]=4 3602 B14R0.393 CCOC(=O)NCCSCCCCOC 62a_100000730899_200011445536 [0,2,0,0,0,0|1,0,1]=4 3603 B14R0.393 CCOC(=O)OCSCCCCCCF 62a_100015922095_100000075025 [0,2,0,0,0,0|1,0,1]=4 3604 B14R0.393 CCOC(=O)OCSCCCCCCO 62a_100000766143_100000075025 [0,2,0,0,0,0|1,0,1]=4 3605 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,2,0,0,0,0|0,0,2]=4 3606 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 2230a_100000210961_100016267167 [0,2,0,0,0,0|0,0,2]=4 3607 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 34a_100000210961_100016267167 [0,2,0,0,0,0|0,0,2]=4 3608 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [0,2,0,0,0,0|0,0,2]=4 3609 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [0,2,0,0,0,0|0,0,2]=4 3610 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 34a_100000757476_100016267167 [0,2,0,0,0,0|0,0,2]=4 3611 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 7a_100000757476_100016267167 [0,2,0,0,0,0|0,0,2]=4 3612 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [0,2,0,0,0,0|0,0,2]=4 3613 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [0,2,0,0,0,0|0,0,2]=4 3614 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [0,2,0,0,0,0|0,0,2]=4 3615 B14R0.393 CCOCCCOCCNC(=O)OCC 34a_100000158857_100012232248 [0,2,0,0,0,0|1,0,1]=4 3616 B14R0.393 CCOCCCOCCNC(=O)OCC 7a_100000757476_200011445536 [0,2,0,0,0,0|1,0,1]=4 3617 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100012232248_100016267167 [0,2,0,0,0,0|0,0,2]=4 3618 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100016267167_100012232248 [0,2,0,0,0,0|0,0,2]=4 3619 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [0,2,0,0,0,0|0,0,2]=4 3620 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [0,2,0,0,0,0|0,0,2]=4 3621 B14R0.393 CCOCCCSCCNC(=O)OCC 62a_100012232248_200011445536 [0,2,0,0,0,0|1,0,1]=4 3622 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [0,2,0,0,0,0|0,0,2]=4 3623 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [0,2,0,0,0,0|0,0,2]=4 3624 B14R0.393 CCOCCNCCOCC(=O)OCC 2230a_102516460346_100000088970 [0,2,0,0,0,0|1,0,1]=4 3625 B14R0.393 CCOCCNCCOCC(=O)OCC 34a_102516460346_100000088970 [0,2,0,0,0,0|1,0,1]=4 3626 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [0,2,0,0,0,0|0,0,2]=4 3627 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [0,2,0,0,0,0|0,0,2]=4 3628 B14R0.393 CCOCCOCCNCC(=O)OCC 2230a_100102712874_100000188475 [0,2,0,0,0,0|1,0,1]=4 3629 B14R0.393 CCOCCOCCNCC(=O)OCC 34a_100102712874_100000188475 [0,2,0,0,0,0|1,0,1]=4 3630 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210136_100000088970 [0,2,0,0,0,0|1,0,1]=4 3631 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210240_100000188475 [0,2,0,0,0,0|1,0,1]=4 3632 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210136_100000088970 [0,2,0,0,0,0|1,0,1]=4 3633 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210240_100000188475 [0,2,0,0,0,0|1,0,1]=4 3634 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100000188475_100011211534 [0,2,0,0,0,0|1,0,1]=4 3635 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100011211534_100000188475 [0,2,0,0,0,0|1,0,1]=4 3636 B14R0.393 CCOCCOCCSCC(=O)OCC 7a_200000230590_100011215890 [0,2,0,0,0,0|1,0,1]=4 3637 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [0,2,0,0,0,0|0,0,2]=4 3638 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [0,2,0,0,0,0|0,0,2]=4 3639 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000088970_100011215890 [0,2,0,0,0,0|1,0,1]=4 3640 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000210147_100000088970 [0,2,0,0,0,0|1,0,1]=4 3641 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [0,2,0,0,0,0|0,0,2]=4 3642 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [0,2,0,0,0,0|0,0,2]=4 3643 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100000739092_100009893628 [0,2,0,0,0,0|1,0,1]=4 3644 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100009893628_100000739092 [0,2,0,0,0,0|1,0,1]=4 3645 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100016267167 [0,2,0,0,0,0|0,0,2]=4 3646 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100016267167 [0,2,0,0,0,0|0,0,2]=4 3647 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 34a_100000210774_100016267167 [0,2,0,0,0,0|0,0,2]=4 3648 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 7a_100000210774_100016267167 [0,2,0,0,0,0|0,0,2]=4 3649 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100016267167 [0,2,0,0,0,0|0,0,2]=4 3650 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100016267167_100011214892 [0,2,0,0,0,0|0,0,2]=4 3651 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_100016267167_200000718107 [0,2,0,0,0,0|0,0,2]=4 3652 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100016267167 [0,2,0,0,0,0|0,0,2]=4 3653 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,2,0,0,0,0|0,0,2]=4 3654 B14R0.432 CCOC(=O)CCCCCCCN(C)C 2230a_100102631434_100009991516 [0,2,0,0,0,0|0,0,2]=4 3655 B14R0.432 CCOC(=O)CCCCCCCN(C)C 269982a_100102631434_100009991516 [0,2,0,0,0,0|0,0,2]=4 3656 B14R0.432 CCOC(=O)CCCCCCNC(C)C 2230a_100138425928_100009814379 [0,2,0,0,0,0|0,0,2]=4 3657 B14R0.432 CCOC(=O)CCCCCCNC(C)C 34a_100138425928_100009814379 [0,2,0,0,0,0|0,0,2]=4 3658 B14R0.432 CCOC(=O)CCCCCCOC(C)C 34a_100000212225_100009814379 [0,2,0,0,0,0|0,0,2]=4 3659 B14R0.432 CCOC(=O)CCCCCCSC(C)C 62a_100000210206_100009814379 [0,2,0,0,0,0|0,0,2]=4 3660 B14R0.432 CCOC(=O)CCCCCNCC(C)C 2230a_100000210953_100000755133 [0,2,0,0,0,0|0,0,2]=4 3661 B14R0.432 CCOC(=O)CCCCCNCC(C)C 34a_100000210953_100000755133 [0,2,0,0,0,0|0,0,2]=4 3662 B14R0.432 CCOC(=O)CCCCCNCC(C)O 2230a_100000210904_100000755133 [0,2,0,0,0,0|0,0,2]=4 3663 B14R0.432 CCOC(=O)CCCCCNCC(C)O 34a_100000210904_100000755133 [0,2,0,0,0,0|0,0,2]=4 3664 B14R0.432 CCOC(=O)CCCCCOCC(C)Br 34a_100012180447_100000755133 [0,2,0,0,0,0|0,0,2]=4 3665 B14R0.432 CCOC(=O)CCCCCOCC(C)C 34a_100000210257_100000755133 [0,2,0,0,0,0|0,0,2]=4 3666 B14R0.432 CCOC(=O)CCCCCOCC(C)C 7a_100011214988_100000210760 [0,2,0,0,0,0|0,0,2]=4 3667 B14R0.432 CCOC(=O)CCCCCOCC(C)F 34a_100015925927_100000755133 [0,2,0,0,0,0|0,0,2]=4 3668 B14R0.432 CCOC(=O)CCCCCOCC(C)O 7a_100011214988_100011218427 [0,2,0,0,0,0|0,0,2]=4 3669 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000755133 [0,2,0,0,0,0|0,0,2]=4 3670 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100000755133 [0,2,0,0,0,0|0,0,2]=4 3671 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)O 7a_100011214988_100009817552 [0,2,0,0,0,0|0,0,2]=4 3672 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000210624_100000755133 [0,2,0,0,0,0|0,0,2]=4 3673 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000755133_100000210760 [0,2,0,0,0,0|0,0,2]=4 3674 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100000755133_100011218427 [0,2,0,0,0,0|0,0,2]=4 3675 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100011218427_100000755133 [0,2,0,0,0,0|0,0,2]=4 3676 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100000755133_100009817552 [0,2,0,0,0,0|0,0,2]=4 3677 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100000755133 [0,2,0,0,0,0|0,0,2]=4 3678 B14R0.432 CCOC(=O)CCCCNCCC(C)O 2230a_200000755665_100000750268 [0,2,0,0,0,0|0,0,2]=4 3679 B14R0.432 CCOC(=O)CCCCOCCC(C)Br 34a_100009893172_100000750268 [0,2,0,0,0,0|0,0,2]=4 3680 B14R0.432 CCOC(=O)CCCCOCCC(C)C 34a_100000210254_100000750268 [0,2,0,0,0,0|0,0,2]=4 3681 B14R0.432 CCOC(=O)CCCCOCCC(C)C 7a_100000210254_100000750268 [0,2,0,0,0,0|0,0,2]=4 3682 B14R0.432 CCOC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000750268 [0,2,0,0,0,0|0,0,2]=4 3683 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000210312_100000750268 [0,2,0,0,0,0|0,0,2]=4 3684 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000750268_100000210312 [0,2,0,0,0,0|0,0,2]=4 3685 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100000750268_100012276601 [0,2,0,0,0,0|0,0,2]=4 3686 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100012276601_100000750268 [0,2,0,0,0,0|0,0,2]=4 3687 B14R0.432 CCOC(=O)CCCNCCCC(C)C 2230a_200000737386_100009991533 [0,2,0,0,0,0|0,0,2]=4 3688 B14R0.432 CCOC(=O)CCCNCCCC(C)C 34a_200000737386_100009991533 [0,2,0,0,0,0|0,0,2]=4 3689 B14R0.432 CCOC(=O)CCCOCCCC(C)C 34a_100000210774_100009991533 [0,2,0,0,0,0|0,0,2]=4 3690 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100000210774_100011215271 [0,2,0,0,0,0|0,0,2]=4 3691 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100012001163_100011214892 [0,2,0,0,0,0|0,0,2]=4 3692 B14R0.432 CCOC(=O)CCCOCCCC(C)O 7a_100012001163_200000718107 [0,2,0,0,0,0|0,0,2]=4 3693 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100009991533_100011214892 [0,2,0,0,0,0|0,0,2]=4 3694 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100011214892_100009991533 [0,2,0,0,0,0|0,0,2]=4 3695 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_100009991533_200000718107 [0,2,0,0,0,0|0,0,2]=4 3696 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_200000718107_100009991533 [0,2,0,0,0,0|0,0,2]=4 3697 B14R0.432 CCOC(=O)CCOCCCCC(C)C 34a_100011214890_100000765890 [0,2,0,0,0,0|0,0,2]=4 3698 B14R0.432 CCOC(=O)CCOCCCCC(C)C 7a_100011214890_100011206558 [0,2,0,0,0,0|0,0,2]=4 3699 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100000765890_100011216152 [0,2,0,0,0,0|0,0,2]=4 3700 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100011216152_100000765890 [0,2,0,0,0,0|0,0,2]=4 3701 B14R0.432 CCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000188475 [0,2,0,0,0,0|0,0,2]=4 3702 B14R0.432 CCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000188475 [0,2,0,0,0,0|0,0,2]=4 3703 B14R0.432 CCOC(=O)CNCCCOCC(C)C 2230a_100000205972_100000188475 [0,2,0,0,0,0|1,0,1]=4 3704 B14R0.432 CCOC(=O)CNCCCOCC(C)C 34a_100000205972_100000188475 [0,2,0,0,0,0|1,0,1]=4 3705 B14R0.432 CCOC(=O)COCCCCCC(C)C 34a_100011995859_100000188475 [0,2,0,0,0,0|0,0,2]=4 3706 B14R0.432 CCOC(=O)COCCCCCC(C)C 7a_100011995859_100000188475 [0,2,0,0,0,0|0,0,2]=4 3707 B14R0.432 CCOC(=O)COCCCCNC(C)C 34a_100011521146_100000188475 [0,2,0,0,0,0|1,0,1]=4 3708 B14R0.432 CCOC(=O)COCCCNCC(C)C 2230a_100000210953_100009893628 [0,2,0,0,0,0|1,0,1]=4 3709 B14R0.432 CCOC(=O)COCCCNCC(C)C 34a_100000210953_100009893628 [0,2,0,0,0,0|1,0,1]=4 3710 B14R0.432 CCOC(=O)COCCCNCC(C)O 2230a_100000210904_100009893628 [0,2,0,0,0,0|1,0,1]=4 3711 B14R0.432 CCOC(=O)COCCCNCC(C)O 34a_100000210904_100009893628 [0,2,0,0,0,0|1,0,1]=4 3712 B14R0.432 CCOC(=O)COCCCOCC(C)Br 34a_100012180447_100009893628 [0,2,0,0,0,0|1,0,1]=4 3713 B14R0.432 CCOC(=O)COCCCOCC(C)C 34a_100000210257_100009893628 [0,2,0,0,0,0|1,0,1]=4 3714 B14R0.432 CCOC(=O)COCCCOCC(C)F 34a_100015925927_100009893628 [0,2,0,0,0,0|1,0,1]=4 3715 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)Cl 34a_100016084084_100009893628 [0,2,0,0,0,0|1,0,1]=4 3716 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)N 34a_100000737577_100009893628 [0,2,0,0,0,0|1,0,1]=4 3717 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100000210624_100009893628 [0,2,0,0,0,0|1,0,1]=4 3718 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100009893628_100000210760 [0,2,0,0,0,0|1,0,1]=4 3719 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100009893628_100011218427 [0,2,0,0,0,0|1,0,1]=4 3720 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100011218427_100009893628 [0,2,0,0,0,0|1,0,1]=4 3721 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009817552_100009893628 [0,2,0,0,0,0|1,0,1]=4 3722 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009893628_100009817552 [0,2,0,0,0,0|1,0,1]=4 3723 B14R0.432 CCOC(=O)COCCNCCC(C)O 2230a_200000755665_100000088970 [0,2,0,0,0,0|1,0,1]=4 3724 B14R0.432 CCOC(=O)COCCOCCC(C)Br 34a_100009893172_100000088970 [0,2,0,0,0,0|1,0,1]=4 3725 B14R0.432 CCOC(=O)COCCOCCC(C)C 34a_100000210254_100000088970 [0,2,0,0,0,0|1,0,1]=4 3726 B14R0.432 CCOC(=O)COCCOCCC(C)C 7a_100000210254_100000088970 [0,2,0,0,0,0|1,0,1]=4 3727 B14R0.432 CCOC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000088970 [0,2,0,0,0,0|1,0,1]=4 3728 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000088970_100000210312 [0,2,0,0,0,0|1,0,1]=4 3729 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000210312_100000088970 [0,2,0,0,0,0|1,0,1]=4 3730 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100000088970_100012276601 [0,2,0,0,0,0|1,0,1]=4 3731 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100012276601_100000088970 [0,2,0,0,0,0|1,0,1]=4 3732 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000188475_100000210682 [0,2,0,0,0,0|0,0,2]=4 3733 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000188475 [0,2,0,0,0,0|0,0,2]=4 3734 B14R0.432 CCOC(=O)CSCCOCCC(C)C 7a_200000230590_100000210626 [0,2,0,0,0,0|1,0,1]=4 3735 B14R0.432 CCOC(=O)CSCCOCCC(C)O 7a_200000230590_100012276601 [0,2,0,0,0,0|1,0,1]=4 3736 B14R0.432 CCOC(=O)NCCOCCCC(C)C 34a_100000158857_100011214892 [0,2,0,0,0,0|1,0,1]=4 3737 B14R0.432 CCOC(=O)NCCOCCCC(C)C 7a_100000210774_200011445536 [0,2,0,0,0,0|1,0,1]=4 3738 B14R0.432 CCOC(=O)NCCOCCCC(C)O 34a_100000158857_200000718107 [0,2,0,0,0,0|1,0,1]=4 3739 B14R0.432 CCOC(=O)NCCSCCCC(C)C 62a_100011214892_200011445536 [0,2,0,0,0,0|1,0,1]=4 3740 B14R0.432 CCOC(=O)NCCSCCCC(C)O 62a_200000718107_200011445536 [0,2,0,0,0,0|1,0,1]=4 3741 B14R0.432 CCOC(=O)OCSCCCCC(C)C 62a_100011216152_100000075025 [0,2,0,0,0,0|1,0,1]=4 3742 B14R0.493 CCCCCCC=NNC(=O)COCC 4a_100000216846_100000234349 [0,2,0,0,0,0|1,0,1]=4 3743 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,2,0,0,0,0|0,0,2]=4 3744 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [0,2,0,0,0,0|0,0,2]=4 3745 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [0,2,0,0,0,0|0,0,2]=4 3746 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [0,2,0,0,0,0|0,0,2]=4 3747 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [0,2,0,0,0,0|0,0,2]=4 3748 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [0,2,0,0,0,0|0,0,2]=4 3749 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [0,2,0,0,0,0|0,0,2]=4 3750 B14R0.493 CCCCCCCCNC(=O)COCC 11a_100000229939_100000211967 [0,2,0,0,0,0|0,0,2]=4 3751 B14R0.493 CCCCCCCCNC(=O)COCC 1626a_100000229939_100000211967 [0,2,0,0,0,0|0,0,2]=4 3752 B14R0.493 CCCCCCCCNC(=O)COCC 240690a_100000229939_100000211967 [0,2,0,0,0,0|0,0,2]=4 3753 B14R0.493 CCCCCCCCNC(=O)COCC 527a_100000229939_100000211967 [0,2,0,0,0,0|0,0,2]=4 3754 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [0,2,0,0,0,0|0,0,2]=4 3755 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [0,2,0,0,0,0|0,0,2]=4 3756 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [0,2,0,0,0,0|0,0,2]=4 3757 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [0,2,0,0,0,0|0,0,2]=4 3758 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [0,2,0,0,0,0|0,0,2]=4 3759 B14R0.493 CCCCCCOCOC(=O)OCCC 34a_100000210259_200000139673 [0,2,0,0,0,0|1,0,1]=4 3760 B14R0.493 CCCCCCOCOC(=O)OCCC 7a_100000210259_200000139673 [0,2,0,0,0,0|1,0,1]=4 3761 B14R0.493 CCCCCCSCOC(=O)OCCC 62a_100000210314_200000139673 [0,2,0,0,0,0|1,0,1]=4 3762 B14R0.493 CCCCOCCCNC(=O)COCC 1626a_200000211371_100000211967 [0,2,0,0,0,0|1,0,1]=4 3763 B14R0.493 CCCCOCCCNC(=O)COCC 240690a_200000211371_100000211967 [0,2,0,0,0,0|1,0,1]=4 3764 B14R0.493 CCCCOCCCNC(=O)COCC 527a_200000211371_100000211967 [0,2,0,0,0,0|1,0,1]=4 3765 B14R0.493 CCCCOCCOCC(=O)OCCC 34a_100000210238_200011215008 [0,2,0,0,0,0|1,0,1]=4 3766 B14R0.493 CCCCOCCOCC(=O)OCCC 7a_100000210238_200011215008 [0,2,0,0,0,0|1,0,1]=4 3767 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_100000743108_200011215008 [0,2,0,0,0,0|1,0,1]=4 3768 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_200011215008_100000743108 [0,2,0,0,0,0|1,0,1]=4 3769 B14R0.493 CCCCSCCNCC(=O)OCCC 2230a_100025743550_200011215008 [0,2,0,0,0,0|1,0,1]=4 3770 B14R0.493 CCCCSCCOCC(=O)OCCC 34a_200000230436_200011215008 [0,2,0,0,0,0|1,0,1]=4 3771 B14R0.493 CCCCSCCOCC(=O)OCCC 7a_200000230436_200011215008 [0,2,0,0,0,0|1,0,1]=4 3772 B14R0.493 CCCOC(=O)CNCCCCCCO 2230a_100000686447_200011215008 [0,2,0,0,0,0|1,0,1]=4 3773 B14R0.493 CCCOC(=O)CNCCCCCCO 34a_100000686447_200011215008 [0,2,0,0,0,0|1,0,1]=4 3774 B14R0.493 CCCOC(=O)CNCCCCCOC 2230a_100000747528_200011215008 [0,2,0,0,0,0|1,0,1]=4 3775 B14R0.493 CCCOC(=O)CNCCCCCOC 34a_100000747528_200011215008 [0,2,0,0,0,0|1,0,1]=4 3776 B14R0.493 CCCOC(=O)COCCCCCCBr 34a_100011215345_200011215008 [0,2,0,0,0,0|1,0,1]=4 3777 B14R0.493 CCCOC(=O)COCCCCCCBr 7a_100011215345_200011215008 [0,2,0,0,0,0|1,0,1]=4 3778 B14R0.493 CCCOC(=O)COCCCCCCCl 34a_100000766143_200011215008 [0,2,0,0,0,0|1,0,1]=4 3779 B14R0.493 CCCOC(=O)COCCCCCCCl 7a_100000766143_200011215008 [0,2,0,0,0,0|1,0,1]=4 3780 B14R0.493 CCCOC(=O)COCCCCCCF 34a_100000732779_200011215008 [0,2,0,0,0,0|1,0,1]=4 3781 B14R0.493 CCCOC(=O)COCCCCCCF 7a_100000732779_200011215008 [0,2,0,0,0,0|1,0,1]=4 3782 B14R0.493 CCCOC(=O)COCCCCCCN 34a_100000686447_200011215008 [0,2,0,0,0,0|1,0,1]=4 3783 B14R0.493 CCCOC(=O)COCCCCCNC 34a_100000722520_200011215008 [0,2,0,0,0,0|1,0,1]=4 3784 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_100015922095_200011215008 [0,2,0,0,0,0|1,0,1]=4 3785 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_200011215008_100015922095 [0,2,0,0,0,0|1,0,1]=4 3786 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_100000766143_200011215008 [0,2,0,0,0,0|1,0,1]=4 3787 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_200011215008_100000766143 [0,2,0,0,0,0|1,0,1]=4 3788 B14R0.493 CCCOCCCNCC(=O)OCCC 2230a_100011217757_200011215008 [0,2,0,0,0,0|1,0,1]=4 3789 B14R0.493 CCCOCCCNCC(=O)OCCC 34a_100011217757_200011215008 [0,2,0,0,0,0|1,0,1]=4 3790 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [0,2,0,0,0,0|0,0,2]=4 3791 B14R0.493 CCOCC(=O)NCCCCCCCO 240690a_100011996573_100000211967 [0,2,0,0,0,0|1,0,1]=4 3792 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,2,0,0,0,0|0,0,2]=4 3793 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,2,0,0,0,0|0,0,2]=4 3794 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,2,0,0,0,0|1,0,1]=4 3795 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,2,0,0,0,0|1,0,1]=4 3796 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,2,0,0,0,0|1,0,1]=4 3797 B14R0.2432 CCCCCC(C)NCCC(=O)OCC 2230a_100000211957_100011206558 [0,2,0,0,0,0|0,0,2]=4 3798 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 34a_100011215632_100000765890 [0,2,0,0,0,0|0,0,2]=4 3799 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 7a_100011215632_100011206558 [0,2,0,0,0,0|0,0,2]=4 3800 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218191 [0,2,0,0,0,0|0,0,2]=4 3801 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_200011218191_100000765890 [0,2,0,0,0,0|0,0,2]=4 3802 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,2,0,0,0,0|1,0,1]=4 3803 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 2230a_100000223495_100016267167 [0,2,0,0,0,0|0,0,2]=4 3804 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 269982a_100000223495_100016267167 [0,2,0,0,0,0|0,0,2]=4 3805 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,2,0,0,0,0|0,0,2]=4 3806 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,2,0,0,0,0|0,0,2]=4 3807 B14R0.2432 CCCCCN(C)CCNC(=O)OCC 269982a_100000223495_200011445536 [0,2,0,0,0,0|1,0,1]=4 3808 B14R0.2432 CCOC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000188475 [0,2,0,0,0,0|1,0,1]=4 3809 B14R0.11 CCCCC(C)COCC(=O)OCCC 34a_100011995851_200011215008 [0,2,0,0,0,0|1,0,1]=4 3810 B14R0.11 CCCCC(C)COCC(=O)OCCC 7a_100011995851_200011215008 [0,2,0,0,0,0|1,0,1]=4 3811 B14R0.11 CCCC[C@H](N)COCC(=O)OCCC 34a_100011934283_200011215008 [0,2,0,0,0,0|1,0,1]=4 3812 B14R0.152 CCCOC(=O)COCCCC(C)CC 7a_100011216074_200011215008 [0,2,0,0,0,0|1,0,1]=4 3813 B14R0.153 CCCOC(=O)COCCCCC(C)C 34a_100011214890_200011215008 [0,2,0,0,0,0|1,0,1]=4 3814 B14R0.153 CCCOC(=O)COCCCCC(C)C 7a_100011214890_200011215008 [0,2,0,0,0,0|1,0,1]=4 3815 B14R0.153 CCCOC(=O)CSCCCCC(C)C 62a_100011216152_200011215008 [0,2,0,0,0,0|1,0,1]=4 3816 B14R0.153 CCCOC(=O)CSCCCCC(C)C 62a_200011215008_100011216152 [0,2,0,0,0,0|1,0,1]=4 3817 B14R0.153 CCOCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211967 [0,2,0,0,0,0|1,0,1]=4 3818 B14R0.153 CCOCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211967 [0,2,0,0,0,0|1,0,1]=4 3819 B14R0.153 CCOCC(=O)NCCCCCC(C)C 527a_100011290863_100000211967 [0,2,0,0,0,0|1,0,1]=4 3820 B14R0.179 CCCCCC#CCC(=O)C=COCC 1458a_100016266692_100009816472 [0,2,0,0,0,0|0,0,2]=4 3821 B14R0.179 CCCCCC#CCC(=O)CCOCC 1458a_100000749530_100009816472 [0,2,0,0,0,0|0,0,2]=4 3822 B14R0.179 CCCCCC#CCC(=O)COCCC 1458a_100000745993_100009816472 [0,2,0,0,0,0|0,0,2]=4 3823 B14R0.179 CCCCCC#CCC(=O)COCCO 1458a_100000708028_100009816472 [0,2,0,0,0,0|0,0,2]=4 3824 B14R0.179 CCCCCCC=CC(=O)CCOCC 1458a_200015324643_100011215890 [0,2,0,0,0,0|0,0,2]=4 3825 B14R0.179 CCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210759 [0,2,0,0,0,0|0,0,2]=4 3826 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000210188_100011215890 [0,2,0,0,0,0|0,0,2]=4 3827 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210759 [0,2,0,0,0,0|0,0,2]=4 3828 B14R0.179 CCCCCCCCC(=O)COCCC 1458a_100000745993_100000210759 [0,2,0,0,0,0|0,0,2]=4 3829 B14R0.179 CCCCCCCCC(=O)COCCO 1458a_100000708028_100000210759 [0,2,0,0,0,0|0,0,2]=4 3830 B14R0.179 CCCCCCCNC(=O)C=COCC 11a_100000229938_100016266692 [0,2,0,0,0,0|1,0,1]=4 3831 B14R0.179 CCCCCCCNC(=O)C=COCC 1626a_100000229938_100016266692 [0,2,0,0,0,0|1,0,1]=4 3832 B14R0.179 CCCCCCCNC(=O)C=COCC 240690a_100000229938_100016266692 [0,2,0,0,0,0|1,0,1]=4 3833 B14R0.179 CCCCCCCNC(=O)CCOCC 11a_100000229938_100000749530 [0,2,0,0,0,0|1,0,1]=4 3834 B14R0.179 CCCCCCCNC(=O)CCOCC 1626a_100000229938_100000749530 [0,2,0,0,0,0|1,0,1]=4 3835 B14R0.179 CCCCCCCNC(=O)CCOCC 240690a_100000229938_100000749530 [0,2,0,0,0,0|1,0,1]=4 3836 B14R0.179 CCCCCCCNC(=O)CCOCC 527a_100000229938_100000749530 [0,2,0,0,0,0|1,0,1]=4 3837 B14R0.179 CCCCCCCNC(=O)COCCC 11a_100000229938_100000745993 [0,2,0,0,0,0|1,0,1]=4 3838 B14R0.179 CCCCCCCNC(=O)COCCC 1626a_100000229938_100000745993 [0,2,0,0,0,0|1,0,1]=4 3839 B14R0.179 CCCCCCCNC(=O)COCCC 240690a_100000229938_100000745993 [0,2,0,0,0,0|1,0,1]=4 3840 B14R0.179 CCCCCCCNC(=O)COCCC 527a_100000229938_100000745993 [0,2,0,0,0,0|1,0,1]=4 3841 B14R0.179 CCCCCCCNC(=O)COCCO 1626a_100000229938_100000708028 [0,2,0,0,0,0|1,0,1]=4 3842 B14R0.179 CCCCCCCNC(=O)COCCO 240690a_100000229938_100000708028 [0,2,0,0,0,0|1,0,1]=4 3843 B14R0.179 CCCCCCNCC(=O)OCCCC 2230a_100000210581_100000211628 [0,2,0,0,0,0|1,0,1]=4 3844 B14R0.179 CCCCCCNCC(=O)OCCOC 2230a_100000210581_200000040189 [0,2,0,0,0,0|1,0,1]=4 3845 B14R0.179 CCCCCCOCC(=O)OCCCC 34a_100000210259_100000211628 [0,2,0,0,0,0|1,0,1]=4 3846 B14R0.179 CCCCCCOCC(=O)OCCCC 7a_100000210259_100000211628 [0,2,0,0,0,0|1,0,1]=4 3847 B14R0.179 CCCCCCOCC(=O)OCCOC 34a_100000210259_200000040189 [0,2,0,0,0,0|1,0,1]=4 3848 B14R0.179 CCCCCCOCC(=O)OCCOC 7a_100000210259_200000040189 [0,2,0,0,0,0|1,0,1]=4 3849 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000210314_100000211628 [0,2,0,0,0,0|1,0,1]=4 3850 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000211628_100000210757 [0,2,0,0,0,0|1,0,1]=4 3851 B14R0.179 CCCCCCSCC(=O)OCCOC 62a_100000210314_200000040189 [0,2,0,0,0,0|1,0,1]=4 3852 B14R0.179 CCCCCCSCC(=O)OCCOC 62a_200000040189_100000210757 [0,2,0,0,0,0|1,0,1]=4 3853 B14R0.203 CCCCCCC(=O)CC(=O)OCCC 1458a_100102632555_200011215008 [0,2,0,0,0,0|0,0,2]=4 3854 B14R0.203 CCCCCCC(C)NC(=O)COCC 11a_100000210919_100000211967 [0,2,0,0,0,0|1,0,1]=4 3855 B14R0.203 CCCCCCC(C)NC(=O)COCC 1626a_100000210919_100000211967 [0,2,0,0,0,0|1,0,1]=4 3856 B14R0.203 CCCCCCC(C)NC(=O)COCC 240690a_100000210919_100000211967 [0,2,0,0,0,0|1,0,1]=4 3857 B14R0.203 CCCCCCC(C)NC(=O)COCC 34a_100121572206_100000230341 [0,2,0,0,0,0|1,0,1]=4 3858 B14R0.203 CCCCCCC(C)NC(=O)COCC 527a_100000210919_100000211967 [0,2,0,0,0,0|1,0,1]=4 3859 B14R0.203 CCCCCCN(C)CC(=O)OCCC 2230a_106256046315_200011215008 [0,2,0,0,0,0|1,0,1]=4 3860 B14R0.203 CCCCCCN(C)CC(=O)OCCC 269982a_106256046315_200011215008 [0,2,0,0,0,0|1,0,1]=4 3861 B14R0.344 CCCCCC#CCC(=O)COC(C)C 1458a_100000745533_100009816472 [0,2,0,0,0,0|0,0,2]=4 3862 B14R0.344 CCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210759 [0,2,0,0,0,0|0,0,2]=4 3863 B14R0.344 CCCCCCCNC(=O)COC(C)C 11a_100000229938_100000745533 [0,2,0,0,0,0|1,0,1]=4 3864 B14R0.344 CCCCCCCNC(=O)COC(C)C 1626a_100000229938_100000745533 [0,2,0,0,0,0|1,0,1]=4 3865 B14R0.344 CCCCCCCNC(=O)COC(C)C 240690a_100000229938_100000745533 [0,2,0,0,0,0|1,0,1]=4 3866 B14R0.344 CCCCCCCNC(=O)COC(C)C 527a_100000229938_100000745533 [0,2,0,0,0,0|1,0,1]=4 3867 B14R0.529 CCCCCC(C)NCC(=O)OCCC 2230a_100000211957_200011215008 [0,2,0,0,0,0|1,0,1]=4 3868 B14R0.529 CCCCCC(C)OCC(=O)OCCC 34a_100011215632_200011215008 [0,2,0,0,0,0|1,0,1]=4 3869 B14R0.529 CCCCCC(C)OCC(=O)OCCC 7a_100011215632_200011215008 [0,2,0,0,0,0|1,0,1]=4 3870 B14R0.529 CCCCCC(C)SCC(=O)OCCC 62a_200011215008_200011218191 [0,2,0,0,0,0|1,0,1]=4 3871 B14R0.529 CCCCCC(C)SCC(=O)OCCC 62a_200011218191_200011215008 [0,2,0,0,0,0|1,0,1]=4 3872 B14R0.1095 CCCCCCCC(C)C(=O)COCC 1458a_100000211967_200011218727 [0,2,0,0,0,0|0,0,2]=4 3873 B14R0.1095 CCCCCCCN(C)C(=O)COCC 11a_100000228206_100000211967 [0,2,0,0,0,0|1,0,1]=4 3874 B14R0.1095 CCCCCCCN(C)C(=O)COCC 1626a_100000228206_100000211967 [0,2,0,0,0,0|1,0,1]=4 3875 B14R0.1095 CCCCCCCN(C)C(=O)COCC 240690a_100000228206_100000211967 [0,2,0,0,0,0|1,0,1]=4 3876 B14R0.1095 CCCCCCCN(C)C(=O)COCC 527a_100000228206_100000211967 [0,2,0,0,0,0|1,0,1]=4 3877 B14R0.1095 CCCCCCNC(C)C(=O)OCCC 2230a_100000210581_100000760410 [0,2,0,0,0,0|1,0,1]=4 3878 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 34a_100000037348_100000210314 [0,2,0,0,0,0|1,0,1]=4 3879 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 34a_100000210259_100000760410 [0,2,0,0,0,0|1,0,1]=4 3880 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210314 [0,2,0,0,0,0|1,0,1]=4 3881 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 7a_100000210259_100000760410 [0,2,0,0,0,0|1,0,1]=4 3882 B14R0.1095 CCCCCCSC(C)C(=O)OCCC 62a_100000210314_100000760410 [0,2,0,0,0,0|1,0,1]=4 3883 B14R0.1095 CCCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210757 [0,2,0,0,0,0|1,0,1]=4 3884 B14R0.309 CCC(C)CCCOCC(=O)OC(C)C 7a_100011216074_100011215430 [0,2,0,0,0,0|1,0,1]=4 3885 B14R0.310 CCOC(=O)C(C)OCCCC(C)CC 7a_100011216074_100011216346 [0,2,0,0,0,0|1,0,1]=4 3886 B14R0.310 CCOC(=O)C(F)OCCCC(C)CC 7a_100011216074_100000040065 [0,2,0,0,0,0|1,0,1]=4 3887 B14R0.1240 CCOC(=O)COC(C)CCC(C)CC 7a_200011216552_100000188475 [0,2,0,0,0,0|1,0,1]=4 3888 B14R0.315 CCOC(=O)C(C)OCCCCC(C)C 34a_100011214890_100011216346 [0,2,0,0,0,0|1,0,1]=4 3889 B14R0.315 CCOC(=O)C(C)OCCCCC(C)C 7a_100011214890_100011216346 [0,2,0,0,0,0|1,0,1]=4 3890 B14R0.315 CCOC(=O)C(C)SCCCCC(C)C 62a_100011216152_100011216346 [0,2,0,0,0,0|1,0,1]=4 3891 B14R0.315 CCOC(=O)C(C)SCCCCC(C)C 62a_100011216346_100011216152 [0,2,0,0,0,0|1,0,1]=4 3892 B14R0.315 CCOC(=O)C(F)OCCCCC(C)C 34a_100011214890_100000760018 [0,2,0,0,0,0|1,0,1]=4 3893 B14R0.315 CCOC(=O)C(F)OCCCCC(C)C 7a_100011214890_100000040065 [0,2,0,0,0,0|1,0,1]=4 3894 B14R0.315 CCOC(=O)C(F)SCCCCC(C)C 62a_100000760018_100011216152 [0,2,0,0,0,0|1,0,1]=4 3895 B14R0.315 CCOC(=O)C(F)SCCCCC(C)C 62a_100011216152_100000760018 [0,2,0,0,0,0|1,0,1]=4 3896 B14R0.315 CCOC(=O)[C@H](C)OCCCCC(C)C 7a_100000751109_100011216152 [0,2,0,0,0,0|1,0,1]=4 3897 B14R0.427 CC(C)CCCCOCC(=O)OC(C)C 34a_100011214890_100011215430 [0,2,0,0,0,0|1,0,1]=4 3898 B14R0.427 CC(C)CCCCOCC(=O)OC(C)C 7a_100011214890_100011215430 [0,2,0,0,0,0|1,0,1]=4 3899 B14R0.427 CC(C)CCCCSCC(=O)OC(C)C 62a_100011215430_100011216152 [0,2,0,0,0,0|1,0,1]=4 3900 B14R0.427 CC(C)CCCCSCC(=O)OC(C)C 62a_100011216152_100011215430 [0,2,0,0,0,0|1,0,1]=4 3901 B14R0.431 CCOC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000188475 [0,2,0,0,0,0|1,0,1]=4 3902 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 34a_200011218570_100000188475 [0,2,0,0,0,0|1,0,1]=4 3903 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 7a_200011218570_100000188475 [0,2,0,0,0,0|1,0,1]=4 3904 B14R0.436 CCCC(C)CCOCC(=O)OC(C)C 34a_100011217855_100011215430 [0,2,0,0,0,0|1,0,1]=4 3905 B14R0.436 CCCC(C)CCOCC(=O)OC(C)C 7a_100011217855_100011215430 [0,2,0,0,0,0|1,0,1]=4 3906 B14R0.436 CCC[C@H](N)CCOCC(=O)OC(C)C 34a_100015193777_100011215430 [0,2,0,0,0,0|1,0,1]=4 3907 B14R0.436 CCOC(=O)COCC[C@@H](N)CC(C)C 34a_100161151251_100000188475 [0,2,0,0,0,0|1,0,1]=4 3908 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100000243816_100011216152 [0,2,0,0,0,0|0,0,2]=4 3909 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000188475 [0,2,0,0,0,0|0,0,2]=4 3910 B14R0.2863 CCOC(=O)CN(C)CCCCC(C)C 2230a_100000220588_100011216152 [0,2,0,0,0,0|1,0,1]=4 3911 B14R0.75 CCCCC(C)COCC(=O)OC(C)C 34a_100011995851_100011215430 [0,2,0,0,0,0|1,0,1]=4 3912 B14R0.75 CCCCC(C)COCC(=O)OC(C)C 7a_100011995851_100011215430 [0,2,0,0,0,0|1,0,1]=4 3913 B14R0.75 CCCC[C@H](N)COCC(=O)OC(C)C 34a_100011934283_100011215430 [0,2,0,0,0,0|1,0,1]=4 3914 B14R0.207 CCCCC(C)COC(C)C(=O)OCC 34a_100011995851_100011216346 [0,2,0,0,0,0|1,0,1]=4 3915 B14R0.207 CCCCC(C)COC(C)C(=O)OCC 7a_100011995851_100011216346 [0,2,0,0,0,0|1,0,1]=4 3916 B14R0.207 CCCCC(C)COC(F)C(=O)OCC 34a_100011995851_100000760018 [0,2,0,0,0,0|1,0,1]=4 3917 B14R0.207 CCCCC(C)COC(F)C(=O)OCC 7a_100011995851_100000040065 [0,2,0,0,0,0|1,0,1]=4 3918 B14R0.207 CCCC[C@H](N)COC(C)C(=O)OCC 34a_100011934283_100011216346 [0,2,0,0,0,0|1,0,1]=4 3919 B14R0.207 CCCC[C@H](N)COC(F)C(=O)OCC 34a_100011934283_100000760018 [0,2,0,0,0,0|1,0,1]=4 3920 B14R0.410 CCCC(C)CCOC(C)C(=O)OCC 34a_100011217855_100011216346 [0,2,0,0,0,0|1,0,1]=4 3921 B14R0.410 CCCC(C)CCOC(C)C(=O)OCC 7a_100011217855_100011216346 [0,2,0,0,0,0|1,0,1]=4 3922 B14R0.410 CCCC(C)CCOC(F)C(=O)OCC 34a_100011217855_100000760018 [0,2,0,0,0,0|1,0,1]=4 3923 B14R0.410 CCCC(C)CCOC(F)C(=O)OCC 7a_100011217855_100000040065 [0,2,0,0,0,0|1,0,1]=4 3924 B14R0.410 CCC[C@H](N)CCOC(C)C(=O)OCC 34a_100015193777_100011216346 [0,2,0,0,0,0|1,0,1]=4 3925 B14R0.410 CCC[C@H](N)CCOC(F)C(=O)OCC 34a_100015193777_100000760018 [0,2,0,0,0,0|1,0,1]=4 3926 B14R0.2270 CCCCC(CC)CNCC(=O)OCC 2230a_100000209976_100000188475 [0,2,0,0,0,0|1,0,1]=4 3927 B14R0.2270 CCCCC(CC)COCC(=O)OCC 34a_100000210273_100000188475 [0,2,0,0,0,0|1,0,1]=4 3928 B14R0.2270 CCCCC(CC)COCC(=O)OCC 7a_100000210273_100000188475 [0,2,0,0,0,0|1,0,1]=4 3929 B14R0.2270 CCCCC(CC)CSCC(=O)OCC 62a_100000188475_100000211942 [0,2,0,0,0,0|1,0,1]=4 3930 B14R0.2270 CCCCC(CC)CSCC(=O)OCC 62a_100000211942_100000188475 [0,2,0,0,0,0|1,0,1]=4 3931 B14R0.2516 CCCCC(C)(C)COCC(=O)OCC 7a_200011995781_100000188475 [0,2,0,0,0,0|1,0,1]=4 3932 B14R0.227 CCCCCC(C)NCC(=O)OC(C)C 2230a_100000211957_100011215430 [0,2,0,0,0,0|1,0,1]=4 3933 B14R0.227 CCCCCC(C)OCC(=O)OC(C)C 34a_100011215632_100011215430 [0,2,0,0,0,0|1,0,1]=4 3934 B14R0.227 CCCCCC(C)OCC(=O)OC(C)C 7a_100011215632_100011215430 [0,2,0,0,0,0|1,0,1]=4 3935 B14R0.227 CCCCCC(C)SCC(=O)OC(C)C 62a_100011215430_200011218191 [0,2,0,0,0,0|1,0,1]=4 3936 B14R0.227 CCCCCC(C)SCC(=O)OC(C)C 62a_200011218191_100011215430 [0,2,0,0,0,0|1,0,1]=4 3937 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 11a_100000211957_100014798877 [0,2,0,0,0,0|1,0,1]=4 3938 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 1626a_100000211957_100014798877 [0,2,0,0,0,0|1,0,1]=4 3939 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 240690a_100000211957_100014798877 [0,2,0,0,0,0|1,0,1]=4 3940 B14R0.232 CCCCCC(C)NC(C)C(=O)OCC 2230a_100000211957_100011215307 [0,2,0,0,0,0|1,0,1]=4 3941 B14R0.232 CCCCCC(C)NC(F)C(=O)OCC 2230a_100000211957_100000760018 [0,2,0,0,0,0|1,0,1]=4 3942 B14R0.232 CCCCCC(C)OC(C)C(=O)OCC 34a_100011215632_100011216346 [0,2,0,0,0,0|1,0,1]=4 3943 B14R0.232 CCCCCC(C)OC(C)C(=O)OCC 7a_100011215632_100011216346 [0,2,0,0,0,0|1,0,1]=4 3944 B14R0.232 CCCCCC(C)OC(F)C(=O)OCC 34a_100011215632_100000760018 [0,2,0,0,0,0|1,0,1]=4 3945 B14R0.232 CCCCCC(C)OC(F)C(=O)OCC 7a_100011215632_100000040065 [0,2,0,0,0,0|1,0,1]=4 3946 B14R0.232 CCCCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_200011218191 [0,2,0,0,0,0|1,0,1]=4 3947 B14R0.232 CCCCCC(C)SC(C)C(=O)OCC 62a_100011216346_200011218191 [0,2,0,0,0,0|1,0,1]=4 3948 B14R0.232 CCCCCC(C)SC(C)C(=O)OCC 62a_200011218191_100011216346 [0,2,0,0,0,0|1,0,1]=4 3949 B14R0.232 CCCCCC(C)SC(F)C(=O)OCC 62a_100000760018_200011218191 [0,2,0,0,0,0|1,0,1]=4 3950 B14R0.232 CCCCCC(C)SC(F)C(=O)OCC 62a_200011218191_100000760018 [0,2,0,0,0,0|1,0,1]=4 3951 B14R0.615 C#CC(CCCCC)OCC(=O)OCC 34a_100011216489_100000188475 [0,2,0,0,0,0|1,0,1]=4 3952 B14R0.615 C#CC(CCCCC)OCC(=O)OCC 7a_100011216489_100000188475 [0,2,0,0,0,0|1,0,1]=4 3953 B14R0.615 C=CC(CCCCC)OCC(=O)OCC 34a_100011216863_100000188475 [0,2,0,0,0,0|1,0,1]=4 3954 B14R0.615 C=CC(CCCCC)OCC(=O)OCC 7a_100011216863_100000188475 [0,2,0,0,0,0|1,0,1]=4 3955 B14R0.615 CCCCCC(CC)OCC(=O)OCC 34a_100011215405_100000188475 [0,2,0,0,0,0|1,0,1]=4 3956 B14R0.615 CCCCCC(CC)OCC(=O)OCC 7a_100011215405_100000188475 [0,2,0,0,0,0|1,0,1]=4 3957 B14R0.2424 CCCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_200011218191 [0,2,0,0,0,0|0,0,2]=4 3958 B14R0.2424 CCCCCC(C)C(=O)CC(=O)OCC 1458a_100011215998_100000188475 [0,2,0,0,0,0|0,0,2]=4 3959 B14R0.2424 CCCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_200011218191 [0,2,0,0,0,0|1,0,1]=4 3960 B14R0.2424 CCCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211708 [0,2,0,0,0,0|1,0,1]=4 3961 B14R0.138 CCCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210314 [0,2,0,0,0,0|1,0,1]=4 3962 B14R0.138 CCCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210314 [0,2,0,0,0,0|1,0,1]=4 3963 B14R0.486 CCCCCCNC(CC)C(=O)OCC 2230a_100000210581_100000212269 [0,2,0,0,0,0|1,0,1]=4 3964 B14R0.486 CCCCCCOC(CC)C(=O)OCC 34a_100000210259_100000212269 [0,2,0,0,0,0|1,0,1]=4 3965 B14R0.486 CCCCCCOC(CC)C(=O)OCC 34a_100011216719_100000210314 [0,2,0,0,0,0|1,0,1]=4 3966 B14R0.486 CCCCCCOC(CC)C(=O)OCC 7a_100000210259_100000212269 [0,2,0,0,0,0|1,0,1]=4 3967 B14R0.486 CCCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210314 [0,2,0,0,0,0|1,0,1]=4 3968 B14R0.486 CCCCCCOC(SC)C(=O)OCC 34a_100000210259_100009893047 [0,2,0,0,0,0|1,0,1]=4 3969 B14R0.486 CCCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210757 [0,2,0,0,0,0|1,0,1]=4 3970 B14R0.486 CCCCCCSC(C=O)C(=O)OCC 62a_100000210314_100000053139 [0,2,0,0,0,0|1,0,1]=4 3971 B14R0.486 CCCCCCSC(CC)C(=O)OCC 62a_100000210314_100000212269 [0,2,0,0,0,0|1,0,1]=4 3972 B14R0.486 CCCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210757 [0,2,0,0,0,0|1,0,1]=4 3973 B14R0.486 CCCCCCSC(SC)C(=O)OCC 62a_100000210314_100009893047 [0,2,0,0,0,0|1,0,1]=4 3974 B14R0.486 CCCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210757 [0,2,0,0,0,0|1,0,1]=4 3975 B14R0.1821 CCCCCCNC(C)(C)C(=O)OCC 2230a_100000210581_100011216345 [0,2,0,0,0,0|1,0,1]=4 3976 B14R0.1821 CCCCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210314 [0,2,0,0,0,0|1,0,1]=4 3977 B14R0.1821 CCCCCCOC(C)(C)C(=O)OCC 7a_100000210259_100011216345 [0,2,0,0,0,0|1,0,1]=4 3978 B14R0.1821 CCCCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210314 [0,2,0,0,0,0|1,0,1]=4 3979 B14R0.1821 CCCCCCOC(F)(F)C(=O)OCC 34a_100000210259_100000210910 [0,2,0,0,0,0|1,0,1]=4 3980 B14R0.1821 CCCCCCOC(F)(F)C(=O)OCC 7a_100000210259_100000210910 [0,2,0,0,0,0|1,0,1]=4 3981 B14R0.1821 CCCCCCSC(C)(C)C(=O)OCC 62a_100000210314_100011216345 [0,2,0,0,0,0|1,0,1]=4 3982 B14R0.1821 CCCCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210757 [0,2,0,0,0,0|1,0,1]=4 3983 B14R0.1821 CCCCCCSC(F)(F)C(=O)OCC 62a_100000210314_100000210910 [0,2,0,0,0,0|1,0,1]=4 3984 B14R0.1821 CCCCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210757 [0,2,0,0,0,0|1,0,1]=4 3985 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100102632555_100011216346 [0,2,0,0,0,0|0,0,2]=4 3986 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210757 [0,2,0,0,0,0|0,0,2]=4 3987 B14R0.2225 CCCCCCC(=O)C(F)C(=O)OCC 1458a_100102632555_100000760018 [0,2,0,0,0,0|0,0,2]=4 3988 B14R0.2225 CCCCCCN(C)C(=O)C(=O)OCC 11a_106256046315_100014798877 [0,2,0,0,0,0|1,0,1]=4 3989 B14R0.2225 CCCCCCN(C)C(=O)C(=O)OCC 1626a_106256046315_100014798877 [0,2,0,0,0,0|1,0,1]=4 3990 B14R0.2225 CCCCCCN(C)C(=O)C(=O)OCC 240690a_106256046315_100014798877 [0,2,0,0,0,0|1,0,1]=4 3991 B14R0.2225 CCCCCCN(C)C(C)C(=O)OCC 2230a_106256046315_100011215307 [0,2,0,0,0,0|1,0,1]=4 3992 B14R0.2225 CCCCCCN(C)C(C)C(=O)OCC 269982a_106256046315_100011216346 [0,2,0,0,0,0|1,0,1]=4 3993 B14R0.2225 CCCCCCN(C)C(F)C(=O)OCC 2230a_106256046315_100000760018 [0,2,0,0,0,0|1,0,1]=4 3994 B14R0.2225 CCCCCCN(C)C(F)C(=O)OCC 269982a_106256046315_100000760018 [0,2,0,0,0,0|1,0,1]=4 3995 B14R0.415 CCCC(CCOCC(=O)OCC)SC 34a_100000032865_100000188475 [0,2,0,0,0,0|1,0,1]=4 3996 B14R0.415 CCCC(CCOCC(=O)OCC)SC 7a_100000032865_100000188475 [0,2,0,0,0,0|1,0,1]=4 3997 B14R0.389 CCCCCCC(=O)CC(=O)OC(C)C 1458a_100102632555_100011215430 [0,2,0,0,0,0|0,0,2]=4 3998 B14R0.389 CCCCCCN(C)CC(=O)OC(C)C 2230a_106256046315_100011215430 [0,2,0,0,0,0|1,0,1]=4 3999 B14R0.389 CCCCCCN(C)CC(=O)OC(C)C 269982a_106256046315_100011215430 [0,2,0,0,0,0|1,0,1]=4 4000 B14R0.955 CCCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210314 [0,2,0,0,0,0|1,0,1]=4 4001 B14R0.955 CCCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210757 [0,2,0,0,0,0|1,0,1]=4 4002 B14R0.94 CCCCCCNCC(=O)OC(C)(C)C 2230a_100000210581_100000183872 [0,2,0,0,0,0|1,0,1]=4 4003 B14R0.94 CCCCCCOCC(=O)OC(C)(C)C 34a_100000210259_100000183872 [0,2,0,0,0,0|1,0,1]=4 4004 B14R0.94 CCCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210314 [0,2,0,0,0,0|1,0,1]=4 4005 B14R0.94 CCCCCCOCC(=O)OC(C)(C)C 7a_100000210259_100000183872 [0,2,0,0,0,0|1,0,1]=4 4006 B14R0.94 CCCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210757 [0,2,0,0,0,0|1,0,1]=4 4007 B14R0.94 CCCCCCSCC(=O)OC(C)(C)C 62a_100000210314_100000183872 [0,2,0,0,0,0|1,0,1]=4 4008 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [1,0,0,1,0,0|1,0,1]=4 4009 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [1,0,0,1,0,0|1,0,1]=4 4010 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [1,0,0,1,0,0|1,0,1]=4 4011 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 4012 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 4013 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 4014 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 4015 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [1,0,0,1,0,0|1,0,1]=4 4016 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [1,0,0,1,0,0|1,0,1]=4 4017 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [1,0,0,1,0,0|1,0,1]=4 4018 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [1,0,0,1,0,0|2,0,0]=4 4019 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [1,0,0,1,0,0|2,0,0]=4 4020 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [1,0,0,1,0,0|2,0,0]=4 4021 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [1,0,0,1,0,0|2,0,0]=4 4022 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [1,0,0,1,0,0|1,0,1]=4 4023 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [1,0,0,1,0,0|1,0,1]=4 4024 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 4025 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 4026 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 4027 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 4028 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [1,0,0,1,0,0|1,0,1]=4 4029 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [1,0,0,1,0,0|1,0,1]=4 4030 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [1,0,0,1,0,0|1,0,1]=4 4031 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 4032 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 4033 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 4034 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 4035 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 4036 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 4037 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [1,0,0,1,0,0|1,0,1]=4 4038 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [1,0,0,1,0,0|1,0,1]=4 4039 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [1,0,0,1,0,0|1,0,1]=4 4040 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [1,0,0,1,0,0|1,0,1]=4 4041 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [1,0,0,1,0,0|1,0,1]=4 4042 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [1,0,0,1,0,0|1,0,1]=4 4043 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [1,0,0,1,0,0|1,0,1]=4 4044 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [1,0,0,1,0,0|1,0,1]=4 4045 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [1,0,0,1,0,0|1,0,1]=4 4046 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 4047 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 4048 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 4049 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 4050 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [1,0,0,1,0,0|1,0,1]=4 4051 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [1,0,0,1,0,0|1,0,1]=4 4052 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [1,0,0,1,0,0|1,0,1]=4 4053 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [1,0,0,1,0,0|2,0,0]=4 4054 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [1,0,0,1,0,0|2,0,0]=4 4055 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [1,0,0,1,0,0|1,0,1]=4 4056 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [1,0,0,1,0,0|1,0,1]=4 4057 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [1,0,0,1,0,0|1,0,1]=4 4058 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [1,0,0,1,0,0|1,0,1]=4 4059 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [1,0,0,1,0,0|1,0,1]=4 4060 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [1,0,0,1,0,0|1,0,1]=4 4061 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [1,0,0,1,0,0|1,0,1]=4 4062 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [1,0,0,1,0,0|1,0,1]=4 4063 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [1,0,0,1,0,0|1,0,1]=4 4064 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [1,0,0,1,0,0|1,0,1]=4 4065 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [1,0,0,1,0,0|1,0,1]=4 4066 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [1,0,0,1,0,0|1,0,1]=4 4067 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [1,0,0,1,0,0|1,0,1]=4 4068 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [1,0,0,1,0,0|1,0,1]=4 4069 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [1,0,0,1,0,0|1,0,1]=4 4070 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [1,0,0,1,0,0|1,0,1]=4 4071 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [1,0,0,1,0,0|2,0,0]=4 4072 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [1,0,0,1,0,0|2,0,0]=4 4073 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [1,0,0,1,0,0|1,0,1]=4 4074 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [1,0,0,1,0,0|1,0,1]=4 4075 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [1,0,0,1,0,0|1,0,1]=4 4076 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [1,0,0,1,0,0|1,0,1]=4 4077 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [1,0,0,1,0,0|1,0,1]=4 4078 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [1,0,0,1,0,0|1,0,1]=4 4079 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [1,0,0,1,0,0|1,0,1]=4 4080 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [1,0,0,1,0,0|1,0,1]=4 4081 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [1,0,0,1,0,0|1,0,1]=4 4082 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [1,0,0,1,0,0|1,0,1]=4 4083 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [1,0,0,1,0,0|1,0,1]=4 4084 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [1,0,0,1,0,0|1,0,1]=4 4085 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [1,0,0,1,0,0|2,0,0]=4 4086 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 4087 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 4088 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 4089 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 4090 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [1,0,0,1,0,0|2,0,0]=4 4091 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [1,0,0,1,0,0|2,0,0]=4 4092 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [1,0,0,1,0,0|1,0,1]=4 4093 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [1,0,0,1,0,0|1,0,1]=4 4094 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [1,0,0,1,0,0|1,0,1]=4 4095 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [1,0,0,1,0,0|1,0,1]=4 4096 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [1,0,0,1,0,0|1,0,1]=4 4097 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [1,0,0,1,0,0|1,0,1]=4 4098 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [1,0,0,1,0,0|1,0,1]=4 4099 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [1,0,0,1,0,0|1,0,1]=4 4100 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [1,0,0,1,0,0|1,0,1]=4 4101 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [1,0,0,1,0,0|1,0,1]=4 4102 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 4103 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 4104 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 4105 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 4106 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [1,0,0,1,0,0|1,0,1]=4 4107 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [1,0,0,1,0,0|1,0,1]=4 4108 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [1,0,0,1,0,0|1,0,1]=4 4109 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [1,0,0,1,0,0|1,0,1]=4 4110 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 4111 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 4112 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 4113 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 4114 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [1,0,0,1,0,0|1,0,1]=4 4115 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [1,0,0,1,0,0|1,0,1]=4 4116 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [1,0,0,1,0,0|1,0,1]=4 4117 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [1,0,0,1,0,0|2,0,0]=4 4118 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [1,0,0,1,0,0|2,0,0]=4 4119 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [1,0,0,1,0,0|0,0,2]=4 4120 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [1,0,0,1,0,0|0,0,2]=4 4121 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [1,0,0,1,0,0|0,0,2]=4 4122 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [1,0,0,1,0,0|1,0,1]=4 4123 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [1,0,0,1,0,0|1,0,1]=4 4124 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [1,0,0,1,0,0|1,0,1]=4 4125 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [1,0,0,1,0,0|1,0,1]=4 4126 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [1,0,0,1,0,0|1,0,1]=4 4127 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [1,0,0,1,0,0|1,0,1]=4 4128 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [1,0,0,1,0,0|1,0,1]=4 4129 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [1,0,0,1,0,0|1,0,1]=4 4130 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [1,0,0,1,0,0|1,0,1]=4 4131 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [1,0,0,1,0,0|1,0,1]=4 4132 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [1,0,0,1,0,0|2,0,0]=4 4133 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [1,0,0,1,0,0|1,0,1]=4 4134 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [1,0,0,1,0,0|1,0,1]=4 4135 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [1,0,0,1,0,0|1,0,1]=4 4136 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [1,0,0,1,0,0|1,0,1]=4 4137 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [1,0,0,1,0,0|1,0,1]=4 4138 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [1,0,0,1,0,0|1,0,1]=4 4139 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [1,0,0,1,0,0|1,0,1]=4 4140 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [1,0,0,1,0,0|1,0,1]=4 4141 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [1,0,0,1,0,0|1,0,1]=4 4142 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [1,0,0,1,0,0|1,0,1]=4 4143 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [1,0,0,1,0,0|1,0,1]=4 4144 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [1,0,0,1,0,0|1,0,1]=4 4145 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [1,0,0,1,0,0|1,0,1]=4 4146 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [1,0,0,1,0,0|1,0,1]=4 4147 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [1,0,0,1,0,0|1,0,1]=4 4148 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [1,0,0,1,0,0|1,0,1]=4 4149 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [1,0,0,1,0,0|1,0,1]=4 4150 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [1,0,0,1,0,0|1,0,1]=4 4151 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [1,0,0,1,0,0|1,0,1]=4 4152 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [1,0,0,1,0,0|1,0,1]=4 4153 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [1,0,0,1,0,0|1,0,1]=4 4154 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [1,0,0,1,0,0|1,0,1]=4 4155 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [1,0,0,1,0,0|1,0,1]=4 4156 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [1,0,0,1,0,0|1,0,1]=4 4157 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [1,0,0,1,0,0|1,0,1]=4 4158 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [1,0,0,1,0,0|0,0,2]=4 4159 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [1,0,0,1,0,0|1,0,1]=4 4160 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [1,0,0,1,0,0|1,0,1]=4 4161 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [1,0,0,1,0,0|1,0,1]=4 4162 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [1,0,0,1,0,0|1,0,1]=4 4163 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [1,0,0,1,0,0|1,0,1]=4 4164 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [1,0,0,1,0,0|1,0,1]=4 4165 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [1,0,0,1,0,0|1,0,1]=4 4166 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [1,0,0,1,0,0|1,0,1]=4 4167 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [1,0,0,1,0,0|1,0,1]=4 4168 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [1,0,0,1,0,0|1,0,1]=4 4169 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [1,0,0,1,0,0|1,0,1]=4 4170 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [1,0,0,1,0,0|1,0,1]=4 4171 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [1,0,0,1,0,0|1,0,1]=4 4172 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [1,0,0,1,0,0|1,0,1]=4 4173 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [1,0,0,1,0,0|1,0,1]=4 4174 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [1,0,0,1,0,0|1,0,1]=4 4175 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [1,0,0,1,0,0|1,0,1]=4 4176 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [1,0,0,1,0,0|1,0,1]=4 4177 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [1,0,0,1,0,0|0,0,2]=4 4178 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [1,0,0,1,0,0|0,0,2]=4 4179 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [1,0,0,1,0,0|0,0,2]=4 4180 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [1,0,0,1,0,0|1,0,1]=4 4181 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [1,0,0,1,0,0|1,0,1]=4 4182 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [1,0,0,1,0,0|1,0,1]=4 4183 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [1,0,0,1,0,0|1,0,1]=4 4184 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [1,0,0,1,0,0|1,0,1]=4 4185 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [1,0,0,1,0,0|1,0,1]=4 4186 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [1,0,0,1,0,0|1,0,1]=4 4187 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [1,0,0,1,0,0|1,0,1]=4 4188 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [1,0,0,1,0,0|1,0,1]=4 4189 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,1,0,1,0,0|0,0,2]=4 4190 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,1,0,1,0,0|1,0,1]=4 4191 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,1,0,1,0,0|1,0,1]=4 4192 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,1,0,1,0,0|1,0,1]=4 4193 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,1,0,1,0,0|0,0,2]=4 4194 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,1,0,1,0,0|0,0,2]=4 4195 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,1,0,1,0,0|0,0,2]=4 4196 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,1,0,1,0,0|0,0,2]=4 4197 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,1,0,1,0,0|0,0,2]=4 4198 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,1,0,1,0,0|1,0,1]=4 4199 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,1,0,1,0,0|1,0,1]=4 4200 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,1,0,1,0,0|1,0,1]=4 4201 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,1,0,1,0,0|1,0,1]=4 4202 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,1,0,1,0,0|1,0,1]=4 4203 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,1,0,1,0,0|1,0,1]=4 4204 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,1,0,1,0,0|1,0,1]=4 4205 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,1,0,1,0,0|1,0,1]=4 4206 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,1,0,1,0,0|1,0,1]=4 4207 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,1,0,1,0,0|1,0,1]=4 4208 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,1,0,1,0,0|1,0,1]=4 4209 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,1,0,1,0,0|1,0,1]=4 4210 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,1,0,1,0,0|1,0,1]=4 4211 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,1,0,1,0,0|1,0,1]=4 4212 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,1,0,1,0,0|1,0,1]=4 4213 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,1,0,1,0,0|1,0,1]=4 4214 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,1,0,1,0,0|1,0,1]=4 4215 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,1,0,1,0,0|1,0,1]=4 4216 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,1,0,1,0,0|1,0,1]=4 4217 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,1,0,1,0,0|1,0,1]=4 4218 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,1,0,1,0,0|1,0,1]=4 4219 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,1,0,1,0,0|1,0,1]=4 4220 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,1,0,1,0,0|1,0,1]=4 4221 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,1,0,1,0,0|1,0,1]=4 4222 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,1,0,1,0,0|1,0,1]=4 4223 B14R1.263 CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210303 [0,1,0,1,0,0|0,0,2]=4 4224 B14R1.263 CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210303 [0,1,0,1,0,0|0,0,2]=4 4225 B14R1.263 CCOC(=O)C1CCCCC1OCC 7a_100000038711_100000210202 [0,1,0,1,0,0|0,0,2]=4 4226 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000188475 [0,1,0,1,0,0|1,0,1]=4 4227 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000188475 [0,1,0,1,0,0|1,0,1]=4 4228 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000188475 [0,1,0,1,0,0|1,0,1]=4 4229 B14R1.520 CCOC(=O)C=NNC1CCCCC1 4a_100000709804_100000742314 [0,1,0,1,0,0|1,0,1]=4 4230 B14R1.520 CCOC(=O)CCNC1CCCCC1 2230a_100000182618_100011206558 [0,1,0,1,0,0|0,0,2]=4 4231 B14R1.520 CCOC(=O)CCNC1CCCCC1 34a_100000182618_100000765890 [0,1,0,1,0,0|0,0,2]=4 4232 B14R1.520 CCOC(=O)CCOC1CCCCC1 34a_100000210231_100000765890 [0,1,0,1,0,0|0,0,2]=4 4233 B14R1.520 CCOC(=O)CCOC1CCCCC1 7a_100000210231_100011206558 [0,1,0,1,0,0|0,0,2]=4 4234 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000210327_100000765890 [0,1,0,1,0,0|0,0,2]=4 4235 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000765890_100000210327 [0,1,0,1,0,0|0,0,2]=4 4236 B14R1.520 CCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000188475 [0,1,0,1,0,0|0,0,2]=4 4237 B14R1.520 CCOC(=O)CNCC1CCCCC1 34a_100000210473_100000188475 [0,1,0,1,0,0|0,0,2]=4 4238 B14R1.520 CCOC(=O)CNCC1CCCCO1 2230a_100000174945_100000188475 [0,1,0,1,0,0|1,0,1]=4 4239 B14R1.520 CCOC(=O)CNCC1CCCCO1 34a_100000174945_100000188475 [0,1,0,1,0,0|1,0,1]=4 4240 B14R1.520 CCOC(=O)CNCC1CCCOC1 2230a_100000720124_100000188475 [0,1,0,1,0,0|1,0,1]=4 4241 B14R1.520 CCOC(=O)CNCC1CCCOC1 34a_100000720124_100000188475 [0,1,0,1,0,0|1,0,1]=4 4242 B14R1.520 CCOC(=O)CNCC1CCOCC1 2230a_100000746373_100000188475 [0,1,0,1,0,0|1,0,1]=4 4243 B14R1.520 CCOC(=O)CNCC1CCOCC1 34a_100000746373_100000188475 [0,1,0,1,0,0|1,0,1]=4 4244 B14R1.520 CCOC(=O)CNCC1CCSCC1 2230a_100015188806_100000188475 [0,1,0,1,0,0|1,0,1]=4 4245 B14R1.520 CCOC(=O)CNCC1CCSCC1 34a_100015188806_100000188475 [0,1,0,1,0,0|1,0,1]=4 4246 B14R1.520 CCOC(=O)COCC1CCCCC1 34a_100000212181_100000188475 [0,1,0,1,0,0|0,0,2]=4 4247 B14R1.520 CCOC(=O)COCC1CCCCC1 7a_100000212181_100000188475 [0,1,0,1,0,0|0,0,2]=4 4248 B14R1.520 CCOC(=O)COCC1CCCCN1 34a_100000210821_100000188475 [0,1,0,1,0,0|1,0,1]=4 4249 B14R1.520 CCOC(=O)COCC1CCCCO1 34a_100000211370_100000188475 [0,1,0,1,0,0|1,0,1]=4 4250 B14R1.520 CCOC(=O)COCC1CCCCO1 7a_100000211370_100000188475 [0,1,0,1,0,0|1,0,1]=4 4251 B14R1.520 CCOC(=O)COCC1CCCNC1 34a_100000211344_100000188475 [0,1,0,1,0,0|1,0,1]=4 4252 B14R1.520 CCOC(=O)COCC1CCCOC1 34a_100000741520_100000188475 [0,1,0,1,0,0|1,0,1]=4 4253 B14R1.520 CCOC(=O)COCC1CCNCC1 34a_100000738675_100000188475 [0,1,0,1,0,0|1,0,1]=4 4254 B14R1.520 CCOC(=O)COCC1CCOCC1 34a_100000749013_100000188475 [0,1,0,1,0,0|1,0,1]=4 4255 B14R1.520 CCOC(=O)COCC1CCSCC1 34a_100000070558_100000188475 [0,1,0,1,0,0|1,0,1]=4 4256 B14R1.520 CCOC(=O)COCC1CCSCC1 7a_100000070558_100000188475 [0,1,0,1,0,0|1,0,1]=4 4257 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000188475_100000211423 [0,1,0,1,0,0|0,0,2]=4 4258 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000211423_100000188475 [0,1,0,1,0,0|0,0,2]=4 4259 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000188475_100000211543 [0,1,0,1,0,0|1,0,1]=4 4260 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000211543_100000188475 [0,1,0,1,0,0|1,0,1]=4 4261 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000188475_100000741521 [0,1,0,1,0,0|1,0,1]=4 4262 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000741521_100000188475 [0,1,0,1,0,0|1,0,1]=4 4263 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000188475_100000749018 [0,1,0,1,0,0|1,0,1]=4 4264 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000754603_100000188475 [0,1,0,1,0,0|1,0,1]=4 4265 B14R1.520 CCOC(=O)OCSC1CCCCC1 62a_100000210327_100000075025 [0,1,0,1,0,0|1,0,1]=4 4266 B14R1.598 CCOC(=O)CCN1CCCCC1C 2230a_100000211376_100011206558 [0,1,0,1,0,0|0,0,2]=4 4267 B14R1.598 CCOC(=O)CCN1CCCCC1C 269982a_100000211376_100011206558 [0,1,0,1,0,0|0,0,2]=4 4268 B14R1.598 CCOC(=O)CCN1CCCCC1C 34a_100000211376_100000765890 [0,1,0,1,0,0|0,0,2]=4 4269 B14R1.598 CCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000188475 [0,1,0,1,0,0|0,0,2]=4 4270 B14R1.598 CCOC(=O)CNC1CCCCC1C 34a_100000211402_100000188475 [0,1,0,1,0,0|0,0,2]=4 4271 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000188475 [0,1,0,1,0,0|1,0,1]=4 4272 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000188475 [0,1,0,1,0,0|1,0,1]=4 4273 B14R1.598 CCOC(=O)COC1CCCCC1C 34a_100000211207_100000188475 [0,1,0,1,0,0|0,0,2]=4 4274 B14R1.598 CCOC(=O)COC1CCCCC1C 7a_100000211207_100000188475 [0,1,0,1,0,0|0,0,2]=4 4275 B14R1.598 CCOC(=O)COC1CCCCC1Cl 34a_100000038908_100000188475 [0,1,0,1,0,0|1,0,1]=4 4276 B14R1.598 CCOC(=O)COC1CCCCC1Cl 7a_100000038908_100000188475 [0,1,0,1,0,0|1,0,1]=4 4277 B14R1.598 CCOC(=O)COC1CCNCC1C 34a_100011998114_100000188475 [0,1,0,1,0,0|1,0,1]=4 4278 B14R1.598 CCOC(=O)COC1CNCCC1C 34a_100000696640_100000188475 [0,1,0,1,0,0|1,0,1]=4 4279 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000188475 [0,1,0,1,0,0|1,0,1]=4 4280 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000188475 [0,1,0,1,0,0|1,0,1]=4 4281 B14R1.598 CCOC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000188475 [0,1,0,1,0,0|1,0,1]=4 4282 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100000188475_100015423560 [0,1,0,1,0,0|1,0,1]=4 4283 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100015423560_100000188475 [0,1,0,1,0,0|1,0,1]=4 4284 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000038908_100000188475 [0,1,0,1,0,0|1,0,1]=4 4285 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000188475_100000038908 [0,1,0,1,0,0|1,0,1]=4 4286 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100016267167 [0,1,0,1,0,0|0,0,2]=4 4287 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 34a_100000211070_100016267167 [0,1,0,1,0,0|0,0,2]=4 4288 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 34a_100000210269_100016267167 [0,1,0,1,0,0|0,0,2]=4 4289 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 7a_100000210269_100016267167 [0,1,0,1,0,0|0,0,2]=4 4290 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100011217020_100016267167 [0,1,0,1,0,0|0,0,2]=4 4291 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100016267167_100000179811 [0,1,0,1,0,0|0,0,2]=4 4292 B14R1.609 CCOC(=O)CCCCN1CCCC1 2230a_100000188435_100000750268 [0,1,0,1,0,0|0,0,2]=4 4293 B14R1.609 CCOC(=O)CCCCN1CCCC1 269982a_100000188435_100000750268 [0,1,0,1,0,0|0,0,2]=4 4294 B14R1.609 CCOC(=O)CCCNC1CCCC1 2230a_100000211070_100009991533 [0,1,0,1,0,0|0,0,2]=4 4295 B14R1.609 CCOC(=O)CCCNC1CCCC1 34a_100000211070_100009991533 [0,1,0,1,0,0|0,0,2]=4 4296 B14R1.609 CCOC(=O)CCCOC1CCCC1 34a_100000210269_100009991533 [0,1,0,1,0,0|0,0,2]=4 4297 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100000210269_100011215271 [0,1,0,1,0,0|0,0,2]=4 4298 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100012001163_100000179811 [0,1,0,1,0,0|0,0,2]=4 4299 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100009991533_100000179811 [0,1,0,1,0,0|0,0,2]=4 4300 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100011217020_100009991533 [0,1,0,1,0,0|0,0,2]=4 4301 B14R1.609 CCOC(=O)CCNCC1CCCC1 2230a_100000737975_100011206558 [0,1,0,1,0,0|0,0,2]=4 4302 B14R1.609 CCOC(=O)CCNCC1CCCC1 34a_100000737975_100000765890 [0,1,0,1,0,0|0,0,2]=4 4303 B14R1.609 CCOC(=O)CCOCC1CCCC1 34a_100000742336_100000765890 [0,1,0,1,0,0|0,0,2]=4 4304 B14R1.609 CCOC(=O)CCOCC1CCCC1 7a_100000742336_100011206558 [0,1,0,1,0,0|0,0,2]=4 4305 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000740388_100000765890 [0,1,0,1,0,0|0,0,2]=4 4306 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000765890_100000740388 [0,1,0,1,0,0|0,0,2]=4 4307 B14R1.609 CCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000188475 [0,1,0,1,0,0|0,0,2]=4 4308 B14R1.609 CCOC(=O)CNCCC1CCCC1 34a_100000739158_100000188475 [0,1,0,1,0,0|0,0,2]=4 4309 B14R1.609 CCOC(=O)COCCC1CCCC1 34a_100000749090_100000188475 [0,1,0,1,0,0|0,0,2]=4 4310 B14R1.609 CCOC(=O)COCCC1CCCC1 7a_100000749090_100000188475 [0,1,0,1,0,0|0,0,2]=4 4311 B14R1.609 CCOC(=O)COCCC1CCNC1 34a_100016987287_100000188475 [0,1,0,1,0,0|1,0,1]=4 4312 B14R1.609 CCOC(=O)COCCC1CCOC1 34a_100011879284_100000188475 [0,1,0,1,0,0|1,0,1]=4 4313 B14R1.609 CCOC(=O)COCCN1CCCC1 2230a_100000188435_100000088970 [0,1,0,1,0,0|1,0,1]=4 4314 B14R1.609 CCOC(=O)COCCN1CCCC1 269982a_100000188435_100000088970 [0,1,0,1,0,0|1,0,1]=4 4315 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000188475_100000760354 [0,1,0,1,0,0|0,0,2]=4 4316 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000760354_100000188475 [0,1,0,1,0,0|0,0,2]=4 4317 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000188475_100000004467 [0,1,0,1,0,0|1,0,1]=4 4318 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000700749_100000188475 [0,1,0,1,0,0|1,0,1]=4 4319 B14R1.609 CCOC(=O)NCCOC1CCCC1 34a_100000158857_100000179811 [0,1,0,1,0,0|1,0,1]=4 4320 B14R1.609 CCOC(=O)NCCOC1CCCC1 7a_100000210269_200011445536 [0,1,0,1,0,0|1,0,1]=4 4321 B14R1.609 CCOC(=O)NCCSC1CCCC1 62a_100011217020_200011445536 [0,1,0,1,0,0|1,0,1]=4 4322 B14R1.609 CCOC(=O)OCSCC1CCCC1 62a_100000740388_100000075025 [0,1,0,1,0,0|1,0,1]=4 4323 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 34a_100000744939_100016267167 [0,1,0,1,0,0|0,0,2]=4 4324 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 7a_100000744939_100016267167 [0,1,0,1,0,0|0,0,2]=4 4325 B14R1.611 CCOC(=O)CCCOCC1CC1C 34a_100000744939_100009991533 [0,1,0,1,0,0|0,0,2]=4 4326 B14R1.611 CCOC(=O)CCCOCC1CC1C 7a_100000744939_100011215271 [0,1,0,1,0,0|0,0,2]=4 4327 B14R1.611 CCOC(=O)NCCOCC1CC1C 7a_100000744939_200011445536 [0,1,0,1,0,0|1,0,1]=4 4328 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100016267167 [0,1,0,1,0,0|0,0,2]=4 4329 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 34a_100000738700_100016267167 [0,1,0,1,0,0|0,0,2]=4 4330 B14R1.612 CCOC(=O)/C=C/COCC1CCC1 34a_100000760304_100016267167 [0,1,0,1,0,0|0,0,2]=4 4331 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100000763275_100016267167 [0,1,0,1,0,0|0,0,2]=4 4332 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100016267167_100000763275 [0,1,0,1,0,0|0,0,2]=4 4333 B14R1.612 CCOC(=O)CCCCCN1CCC1 269982a_100000754969_100000755133 [0,1,0,1,0,0|0,0,2]=4 4334 B14R1.612 CCOC(=O)CCCCNC1CCC1 2230a_100000749019_100000750268 [0,1,0,1,0,0|0,0,2]=4 4335 B14R1.612 CCOC(=O)CCCCNC1CCC1 34a_100000749019_100000750268 [0,1,0,1,0,0|0,0,2]=4 4336 B14R1.612 CCOC(=O)CCCCOC1CCC1 34a_100000748187_100000750268 [0,1,0,1,0,0|0,0,2]=4 4337 B14R1.612 CCOC(=O)CCCCSC1CCC1 62a_100000750268_100000749161 [0,1,0,1,0,0|0,0,2]=4 4338 B14R1.612 CCOC(=O)CCCNCC1CCC1 2230a_100000738700_100009991533 [0,1,0,1,0,0|0,0,2]=4 4339 B14R1.612 CCOC(=O)CCCNCC1CCC1 34a_100000738700_100009991533 [0,1,0,1,0,0|0,0,2]=4 4340 B14R1.612 CCOC(=O)CCCOCC1CCC1 34a_100000760304_100009991533 [0,1,0,1,0,0|0,0,2]=4 4341 B14R1.612 CCOC(=O)CCCOCC1CCC1 7a_100012001163_100000763275 [0,1,0,1,0,0|0,0,2]=4 4342 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100000763275_100009991533 [0,1,0,1,0,0|0,0,2]=4 4343 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100009991533_100000763275 [0,1,0,1,0,0|0,0,2]=4 4344 B14R1.612 CCOC(=O)COCCCN1CCC1 269982a_100000754969_100009893628 [0,1,0,1,0,0|1,0,1]=4 4345 B14R1.612 CCOC(=O)COCCNC1CCC1 2230a_100000749019_100000088970 [0,1,0,1,0,0|1,0,1]=4 4346 B14R1.612 CCOC(=O)COCCNC1CCC1 34a_100000749019_100000088970 [0,1,0,1,0,0|1,0,1]=4 4347 B14R1.612 CCOC(=O)COCCOC1CCC1 34a_100000748187_100000088970 [0,1,0,1,0,0|1,0,1]=4 4348 B14R1.612 CCOC(=O)COCCSC1CCC1 62a_100000088970_100000749161 [0,1,0,1,0,0|1,0,1]=4 4349 B14R1.612 CCOC(=O)NCCOCC1CCC1 34a_100000158857_100000763275 [0,1,0,1,0,0|1,0,1]=4 4350 B14R1.612 CCOC(=O)NCCSCC1CCC1 62a_100000763275_200011445536 [0,1,0,1,0,0|1,0,1]=4 4351 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210211 [0,1,0,1,0,0|0,0,2]=4 4352 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210211 [0,1,0,1,0,0|0,0,2]=4 4353 B14R1.635 CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210303 [0,1,0,1,0,0|0,0,2]=4 4354 B14R1.947 CCOC(=O)CCN1CCCC1CC 2230a_100000754278_100011206558 [0,1,0,1,0,0|0,0,2]=4 4355 B14R1.947 CCOC(=O)CCN1CCCC1CC 269982a_100000754278_100011206558 [0,1,0,1,0,0|0,0,2]=4 4356 B14R1.947 CCOC(=O)CCN1CCCC1CC 34a_100000754278_100000765890 [0,1,0,1,0,0|0,0,2]=4 4357 B14R1.948 CCCC(C)CCOC1CCOC1=O 34a_100011217855_100000211211 [0,1,0,1,0,0|1,0,1]=4 4358 B14R1.948 CCCC(C)CCOC1CCOC1=O 7a_100011217855_100000211211 [0,1,0,1,0,0|1,0,1]=4 4359 B14R1.948 CCC[C@H](N)CCOC1CCOC1=O 34a_100015193777_100000211211 [0,1,0,1,0,0|1,0,1]=4 4360 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100016267167 [0,1,0,1,0,0|0,0,2]=4 4361 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100016267167 [0,1,0,1,0,0|0,0,2]=4 4362 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100016267167 [0,1,0,1,0,0|0,0,2]=4 4363 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100016267167 [0,1,0,1,0,0|0,0,2]=4 4364 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100016267167 [0,1,0,1,0,0|0,0,2]=4 4365 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100009991533 [0,1,0,1,0,0|0,0,2]=4 4366 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100009991533 [0,1,0,1,0,0|0,0,2]=4 4367 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100009991533 [0,1,0,1,0,0|0,0,2]=4 4368 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100009991533 [0,1,0,1,0,0|0,0,2]=4 4369 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100009991533 [0,1,0,1,0,0|0,0,2]=4 4370 B14R1.948 CCOC(=O)CCOC1CCCC1C 34a_100011216460_100000765890 [0,1,0,1,0,0|0,0,2]=4 4371 B14R1.948 CCOC(=O)CCOC1CCCC1C 7a_100011216460_100011206558 [0,1,0,1,0,0|0,0,2]=4 4372 B14R1.948 CCOC(=O)COCC1CCCN1C 34a_100000743107_100000188475 [0,1,0,1,0,0|1,0,1]=4 4373 B14R1.948 CCOC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_200011445536 [0,1,0,1,0,0|1,0,1]=4 4374 B14R1.948 CCOC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_200011445536 [0,1,0,1,0,0|1,0,1]=4 4375 B14R1.955 CCOC(=O)/C=C/CNCCC1CC1 34a_100000764129_100016267167 [0,1,0,1,0,0|0,0,2]=4 4376 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 34a_100000754188_100016267167 [0,1,0,1,0,0|0,0,2]=4 4377 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 7a_100000754188_100016267167 [0,1,0,1,0,0|0,0,2]=4 4378 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100000764125_100016267167 [0,1,0,1,0,0|0,0,2]=4 4379 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100016267167_100000764125 [0,1,0,1,0,0|0,0,2]=4 4380 B14R1.955 CCOC(=O)CCCCCNC1CC1 34a_100000212008_100000755133 [0,1,0,1,0,0|0,0,2]=4 4381 B14R1.955 CCOC(=O)CCCCCSC1CC1 62a_100000755133_100000211595 [0,1,0,1,0,0|0,0,2]=4 4382 B14R1.955 CCOC(=O)CCCCNCC1CC1 2230a_100000735609_100000750268 [0,1,0,1,0,0|0,0,2]=4 4383 B14R1.955 CCOC(=O)CCCCNCC1CC1 34a_100000735609_100000750268 [0,1,0,1,0,0|0,0,2]=4 4384 B14R1.955 CCOC(=O)CCCCOCC1CC1 34a_100000211283_100000750268 [0,1,0,1,0,0|0,0,2]=4 4385 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000750268_100000742324 [0,1,0,1,0,0|0,0,2]=4 4386 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000756562_100000750268 [0,1,0,1,0,0|0,0,2]=4 4387 B14R1.955 CCOC(=O)CCCNCCC1CC1 34a_100000764129_100009991533 [0,1,0,1,0,0|0,0,2]=4 4388 B14R1.955 CCOC(=O)CCCOCCC1CC1 34a_100000754188_100009991533 [0,1,0,1,0,0|0,0,2]=4 4389 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100000754188_100011215271 [0,1,0,1,0,0|0,0,2]=4 4390 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100012001163_100000764125 [0,1,0,1,0,0|0,0,2]=4 4391 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100000764125_100009991533 [0,1,0,1,0,0|0,0,2]=4 4392 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100009991533_100000764125 [0,1,0,1,0,0|0,0,2]=4 4393 B14R1.955 CCOC(=O)COCCCNC1CC1 34a_100000212008_100009893628 [0,1,0,1,0,0|1,0,1]=4 4394 B14R1.955 CCOC(=O)COCCCSC1CC1 62a_100009893628_100000211595 [0,1,0,1,0,0|1,0,1]=4 4395 B14R1.955 CCOC(=O)COCCNCC1CC1 2230a_100000735609_100000088970 [0,1,0,1,0,0|1,0,1]=4 4396 B14R1.955 CCOC(=O)COCCNCC1CC1 34a_100000735609_100000088970 [0,1,0,1,0,0|1,0,1]=4 4397 B14R1.955 CCOC(=O)COCCOCC1CC1 34a_100000211283_100000088970 [0,1,0,1,0,0|1,0,1]=4 4398 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000088970_100000742324 [0,1,0,1,0,0|1,0,1]=4 4399 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000756562_100000088970 [0,1,0,1,0,0|1,0,1]=4 4400 B14R1.955 CCOC(=O)CSCCOCC1CC1 7a_200000230590_100000742324 [0,1,0,1,0,0|1,0,1]=4 4401 B14R1.955 CCOC(=O)NCCOCCC1CC1 34a_100000158857_100000694398 [0,1,0,1,0,0|1,0,1]=4 4402 B14R1.955 CCOC(=O)NCCOCCC1CC1 7a_100000754188_200011445536 [0,1,0,1,0,0|1,0,1]=4 4403 B14R1.955 CCOC(=O)NCCSCCC1CC1 62a_100000764125_200011445536 [0,1,0,1,0,0|1,0,1]=4 4404 B14R1.963 CCOC(=O)CCCCN1CCC1C 269982a_100000755817_100000750268 [0,1,0,1,0,0|0,0,2]=4 4405 B14R1.963 CCOC(=O)CCCCN1CCC1C 34a_100000755817_100000750268 [0,1,0,1,0,0|0,0,2]=4 4406 B14R1.963 CCOC(=O)COCCN1CCC1C 269982a_100000755817_100000088970 [0,1,0,1,0,0|1,0,1]=4 4407 B14R1.963 CCOC(=O)COCCN1CCC1C 34a_100000755817_100000088970 [0,1,0,1,0,0|1,0,1]=4 4408 B14R1.965 CCOC(=O)CC1CCCCN1CC 2230a_100116209990_100000210202 [0,1,0,1,0,0|0,0,2]=4 4409 B14R1.965 CCOC(=O)CC1CCCCN1CC 269982a_100116209990_100000204670 [0,1,0,1,0,0|0,0,2]=4 4410 B14R1.965 CCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000188475 [0,1,0,1,0,0|0,0,2]=4 4411 B14R1.965 CCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000188475 [0,1,0,1,0,0|0,0,2]=4 4412 B14R1.965 CCOC(=O)CN1CCCCC1CC 34a_100000210034_100000188475 [0,1,0,1,0,0|0,0,2]=4 4413 B14R1.965 CCOC(=O)CN1CCCCC1CO 2230a_100000210821_100000188475 [0,1,0,1,0,0|1,0,1]=4 4414 B14R1.965 CCOC(=O)CN1CCCCC1CO 269982a_100000210821_100000188475 [0,1,0,1,0,0|1,0,1]=4 4415 B14R1.965 CCOC(=O)CN1CCCCC1CO 34a_100000210821_100000188475 [0,1,0,1,0,0|1,0,1]=4 4416 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000188475 [0,1,0,1,0,0|1,0,1]=4 4417 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000188475 [0,1,0,1,0,0|1,0,1]=4 4418 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 34a_100016988097_100000188475 [0,1,0,1,0,0|1,0,1]=4 4419 B14R1.3126 CCCCCCNC1CC(OC1=O)C 2230a_100000210581_200000216747 [0,1,0,1,0,0|1,0,1]=4 4420 B14R1.3126 CCCCCCOC1CC(OC1=O)C 34a_100000210259_200000216747 [0,1,0,1,0,0|1,0,1]=4 4421 B14R1.3126 CCCCCCOC1CC(OC1=O)C 7a_100000210259_200000216747 [0,1,0,1,0,0|1,0,1]=4 4422 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_100000210314_200000216747 [0,1,0,1,0,0|1,0,1]=4 4423 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210757 [0,1,0,1,0,0|1,0,1]=4 4424 B14R1.7146 CCOC(=O)CCN1CCCCCC1 2230a_100000185865_100011206558 [0,1,0,1,0,0|0,0,2]=4 4425 B14R1.7146 CCOC(=O)CCN1CCCCCC1 269982a_100000185865_100011206558 [0,1,0,1,0,0|0,0,2]=4 4426 B14R1.7146 CCOC(=O)CCN1CCCCCC1 34a_100000185865_100000765890 [0,1,0,1,0,0|0,0,2]=4 4427 B14R1.7146 CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000188475 [0,1,0,1,0,0|0,0,2]=4 4428 B14R1.7146 CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000188475 [0,1,0,1,0,0|0,0,2]=4 4429 B14R1.7146 CCOC(=O)COC1CCCCCC1 34a_100000210887_100000188475 [0,1,0,1,0,0|0,0,2]=4 4430 B14R1.7146 CCOC(=O)COC1CCCCCC1 7a_100000210887_100000188475 [0,1,0,1,0,0|0,0,2]=4 4431 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100000188475_100011217769 [0,1,0,1,0,0|0,0,2]=4 4432 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000188475 [0,1,0,1,0,0|0,0,2]=4 4433 B14R1.7343 CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000188475 [0,1,0,1,0,0|0,0,2]=4 4434 B14R1.7343 CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000188475 [0,1,0,1,0,0|0,0,2]=4 4435 B14R1.7343 CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000188475 [0,1,0,1,0,0|0,0,2]=4 4436 B14R1.156 CCCOC(=O)CNC1CCCCC1 2230a_100000182618_200011215008 [0,1,0,1,0,0|1,0,1]=4 4437 B14R1.156 CCCOC(=O)CNC1CCCCC1 34a_100000182618_200011215008 [0,1,0,1,0,0|1,0,1]=4 4438 B14R1.156 CCCOC(=O)COC1CCCCC1 34a_100000210231_200011215008 [0,1,0,1,0,0|1,0,1]=4 4439 B14R1.156 CCCOC(=O)COC1CCCCC1 7a_100000210231_200011215008 [0,1,0,1,0,0|1,0,1]=4 4440 B14R1.156 CCCOC(=O)CSC1CCCCC1 62a_100000210327_200011215008 [0,1,0,1,0,0|1,0,1]=4 4441 B14R1.156 CCCOC(=O)CSC1CCCCC1 62a_200011215008_100000210327 [0,1,0,1,0,0|1,0,1]=4 4442 B14R1.156 CCOCC(=O)CCC1CCCCC1 1458a_100000211967_100011273959 [0,1,0,1,0,0|0,0,2]=4 4443 B14R1.156 CCOCC(=O)COC1CCCCC1 1458a_100000211967_100011935260 [0,1,0,1,0,0|1,0,1]=4 4444 B14R1.156 CCOCC(=O)NCC1CCCCC1 11a_100000210473_100000211967 [0,1,0,1,0,0|1,0,1]=4 4445 B14R1.156 CCOCC(=O)NCC1CCCCC1 1626a_100000210473_100000211967 [0,1,0,1,0,0|1,0,1]=4 4446 B14R1.156 CCOCC(=O)NCC1CCCCC1 240690a_100000210473_100000211967 [0,1,0,1,0,0|1,0,1]=4 4447 B14R1.156 CCOCC(=O)NCC1CCCCC1 34a_100121572206_100000183341 [0,1,0,1,0,0|1,0,1]=4 4448 B14R1.156 CCOCC(=O)NCC1CCCCC1 527a_100000210473_100000211967 [0,1,0,1,0,0|1,0,1]=4 4449 B14R1.156 CCOCC(=O)NNC1CCCCC1 22a_100000709804_100000211967 [0,1,0,1,0,0|2,0,0]=4 4450 B14R1.177 CCCOC(=O)CNCC1CCCC1 2230a_100000737975_200011215008 [0,1,0,1,0,0|1,0,1]=4 4451 B14R1.177 CCCOC(=O)CNCC1CCCC1 34a_100000737975_200011215008 [0,1,0,1,0,0|1,0,1]=4 4452 B14R1.177 CCCOC(=O)COCC1CCCC1 34a_100000742336_200011215008 [0,1,0,1,0,0|1,0,1]=4 4453 B14R1.177 CCCOC(=O)COCC1CCCC1 7a_100000742336_200011215008 [0,1,0,1,0,0|1,0,1]=4 4454 B14R1.177 CCCOC(=O)CSCC1CCCC1 62a_100000740388_200011215008 [0,1,0,1,0,0|1,0,1]=4 4455 B14R1.177 CCCOC(=O)CSCC1CCCC1 62a_200011215008_100000740388 [0,1,0,1,0,0|1,0,1]=4 4456 B14R1.177 CCOCC(=O)CCCC1CCCC1 1458a_100000211967_100011713738 [0,1,0,1,0,0|0,0,2]=4 4457 B14R1.177 CCOCC(=O)NCCC1CCCC1 11a_100000739158_100000211967 [0,1,0,1,0,0|1,0,1]=4 4458 B14R1.177 CCOCC(=O)NCCC1CCCC1 1626a_100000739158_100000211967 [0,1,0,1,0,0|1,0,1]=4 4459 B14R1.177 CCOCC(=O)NCCC1CCCC1 240690a_100000739158_100000211967 [0,1,0,1,0,0|1,0,1]=4 4460 B14R1.177 CCOCC(=O)NCCC1CCCC1 527a_100000739158_100000211967 [0,1,0,1,0,0|1,0,1]=4 4461 B14R1.915 CCCOC(=O)CN1CCCC1CC 2230a_100000754278_200011215008 [0,1,0,1,0,0|1,0,1]=4 4462 B14R1.915 CCCOC(=O)CN1CCCC1CC 269982a_100000754278_200011215008 [0,1,0,1,0,0|1,0,1]=4 4463 B14R1.915 CCCOC(=O)CN1CCCC1CC 34a_100000754278_200011215008 [0,1,0,1,0,0|1,0,1]=4 4464 B14R1.916 CCCCC(C)COC1CCOC1=O 34a_100011995851_100000211211 [0,1,0,1,0,0|1,0,1]=4 4465 B14R1.916 CCCCC(C)COC1CCOC1=O 7a_100011995851_100000211211 [0,1,0,1,0,0|1,0,1]=4 4466 B14R1.916 CCCC[C@H](N)COC1CCOC1=O 34a_100011934283_100000211211 [0,1,0,1,0,0|1,0,1]=4 4467 B14R1.916 CCCOC(=O)COC1CCCC1C 34a_100011216460_200011215008 [0,1,0,1,0,0|1,0,1]=4 4468 B14R1.916 CCCOC(=O)COC1CCCC1C 7a_100011216460_200011215008 [0,1,0,1,0,0|1,0,1]=4 4469 B14R1.939 CCOCC(=O)N1CCCCC1CC 11a_100000210034_100000211967 [0,1,0,1,0,0|1,0,1]=4 4470 B14R1.939 CCOCC(=O)N1CCCCC1CC 1626a_100000210034_100000211967 [0,1,0,1,0,0|1,0,1]=4 4471 B14R1.939 CCOCC(=O)N1CCCCC1CC 240690a_100000210034_100000211967 [0,1,0,1,0,0|1,0,1]=4 4472 B14R1.939 CCOCC(=O)N1CCCCC1CC 34a_100121572206_100000183412 [0,1,0,1,0,0|1,0,1]=4 4473 B14R1.939 CCOCC(=O)N1CCCCC1CC 527a_100000210034_100000211967 [0,1,0,1,0,0|1,0,1]=4 4474 B14R1.946 CCCOC(=O)CN1CCCCC1C 2230a_100000211376_200011215008 [0,1,0,1,0,0|1,0,1]=4 4475 B14R1.946 CCCOC(=O)CN1CCCCC1C 269982a_100000211376_200011215008 [0,1,0,1,0,0|1,0,1]=4 4476 B14R1.946 CCCOC(=O)CN1CCCCC1C 34a_100000211376_200011215008 [0,1,0,1,0,0|1,0,1]=4 4477 B14R1.946 CCOCC(=O)NC1CCCCC1C 11a_100000211402_100000211967 [0,1,0,1,0,0|1,0,1]=4 4478 B14R1.946 CCOCC(=O)NC1CCCCC1C 1626a_100000211402_100000211967 [0,1,0,1,0,0|1,0,1]=4 4479 B14R1.946 CCOCC(=O)NC1CCCCC1C 240690a_100000211402_100000211967 [0,1,0,1,0,0|1,0,1]=4 4480 B14R1.946 CCOCC(=O)NC1CCCCC1C 34a_100121572206_100000182742 [0,1,0,1,0,0|1,0,1]=4 4481 B14R1.946 CCOCC(=O)NC1CCCCC1C 527a_100000211402_100000211967 [0,1,0,1,0,0|1,0,1]=4 4482 B14R1.2470 CCOCC(=O)N1CCCCCCC1 11a_100000211400_100000211967 [0,1,0,1,0,0|1,0,1]=4 4483 B14R1.2470 CCOCC(=O)N1CCCCCCC1 1626a_100000211400_100000211967 [0,1,0,1,0,0|1,0,1]=4 4484 B14R1.2470 CCOCC(=O)N1CCCCCCC1 240690a_100000211400_100000211967 [0,1,0,1,0,0|1,0,1]=4 4485 B14R1.2470 CCOCC(=O)N1CCCCCCC1 34a_100121572206_100000230191 [0,1,0,1,0,0|1,0,1]=4 4486 B14R1.2470 CCOCC(=O)N1CCCCCCC1 527a_100000211400_100000211967 [0,1,0,1,0,0|1,0,1]=4 4487 B14R1.2596 CCCOC(=O)CN1CCCCCC1 2230a_100000185865_200011215008 [0,1,0,1,0,0|1,0,1]=4 4488 B14R1.2596 CCCOC(=O)CN1CCCCCC1 269982a_100000185865_200011215008 [0,1,0,1,0,0|1,0,1]=4 4489 B14R1.2596 CCCOC(=O)CN1CCCCCC1 34a_100000185865_200011215008 [0,1,0,1,0,0|1,0,1]=4 4490 B14R1.2596 CCOCC(=O)CC1CCCCCC1 1458a_100000211967_200000696569 [0,1,0,1,0,0|0,0,2]=4 4491 B14R1.2596 CCOCC(=O)NC1CCCCCC1 11a_100000210984_100000211967 [0,1,0,1,0,0|1,0,1]=4 4492 B14R1.2596 CCOCC(=O)NC1CCCCCC1 1626a_100000210984_100000211967 [0,1,0,1,0,0|1,0,1]=4 4493 B14R1.2596 CCOCC(=O)NC1CCCCCC1 240690a_100000210984_100000211967 [0,1,0,1,0,0|1,0,1]=4 4494 B14R1.2596 CCOCC(=O)NC1CCCCCC1 34a_100121572206_100000183474 [0,1,0,1,0,0|1,0,1]=4 4495 B14R1.2596 CCOCC(=O)NC1CCCCCC1 527a_100000210984_100000211967 [0,1,0,1,0,0|1,0,1]=4 4496 B14R1.3768 CCCCCC#CCC(=O)C1CCO1 1458a_100000089072_100009816472 [0,1,0,1,0,0|0,0,2]=4 4497 B14R1.3768 CCCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210759 [0,1,0,1,0,0|0,0,2]=4 4498 B14R1.3768 CCCCCCCNC(=O)C1CCO1 11a_100000229938_100000089072 [0,1,0,1,0,0|1,0,1]=4 4499 B14R1.3768 CCCCCCCNC(=O)C1CCO1 1626a_100000229938_100000089072 [0,1,0,1,0,0|1,0,1]=4 4500 B14R1.3768 CCCCCCCNC(=O)C1CCO1 240690a_100000229938_100000089072 [0,1,0,1,0,0|1,0,1]=4 4501 B14R1.3768 CCCCCCCNC(=O)C1CCO1 527a_100000229938_100000089072 [0,1,0,1,0,0|1,0,1]=4 4502 B14R1.502 CCOC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000188475 [0,1,0,1,0,0|1,0,1]=4 4503 B14R1.502 CCOC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000188475 [0,1,0,1,0,0|1,0,1]=4 4504 B14R1.502 CCOC(=O)COC1CCC(CC1)C 34a_100000210714_100000188475 [0,1,0,1,0,0|1,0,1]=4 4505 B14R1.502 CCOC(=O)COC1CCC(CC1)C 7a_100000210714_100000188475 [0,1,0,1,0,0|1,0,1]=4 4506 B14R1.502 CCOC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000188475 [0,1,0,1,0,0|1,0,1]=4 4507 B14R1.502 CCOC(=O)CSC1CCC(CC1)C 62a_100000188475_200011216234 [0,1,0,1,0,0|1,0,1]=4 4508 B14R1.819 CCC(C)CCCOC1CCOC1=O 7a_100011216074_100000211211 [0,1,0,1,0,0|1,0,1]=4 4509 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000188475 [0,1,0,1,0,0|1,0,1]=4 4510 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000188475 [0,1,0,1,0,0|1,0,1]=4 4511 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 34a_100025706717_100000188475 [0,1,0,1,0,0|1,0,1]=4 4512 B14R1.7342 CCOC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000188475 [0,1,0,1,0,0|1,0,1]=4 4513 B14R1.7342 CCOC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000188475 [0,1,0,1,0,0|1,0,1]=4 4514 B14R1.32 CCOC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000188475 [0,1,0,1,0,0|1,0,1]=4 4515 B14R1.32 CCOC(=O)CNC1CCCC(C1)C 34a_100011194320_100000188475 [0,1,0,1,0,0|1,0,1]=4 4516 B14R1.32 CCOC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000188475 [0,1,0,1,0,0|1,0,1]=4 4517 B14R1.32 CCOC(=O)COC1CCCC(C1)C 34a_100000211399_100000188475 [0,1,0,1,0,0|1,0,1]=4 4518 B14R1.148 CC(C)CCCCN1CCOC(=O)C1 2230a_100000131268_100011216152 [0,1,0,1,0,0|1,0,1]=4 4519 B14R1.168 CC(C)CCCCOC1CCOC1=O 34a_100011214890_100000211211 [0,1,0,1,0,0|1,0,1]=4 4520 B14R1.168 CC(C)CCCCOC1CCOC1=O 7a_100011214890_100000211211 [0,1,0,1,0,0|1,0,1]=4 4521 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100000211211_100011216152 [0,1,0,1,0,0|1,0,1]=4 4522 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100011216152_100000211211 [0,1,0,1,0,0|1,0,1]=4 4523 B14R1.968 CCOC(=O)CN1CCCC1C(C)C 2230a_100000762757_100000188475 [0,1,0,1,0,0|1,0,1]=4 4524 B14R1.968 CCOC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000188475 [0,1,0,1,0,0|1,0,1]=4 4525 B14R1.968 CCOC(=O)CN1CCCC1C(C)C 34a_100000762757_100000188475 [0,1,0,1,0,0|1,0,1]=4 4526 B14R1.3311 CCOC(=O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000188475 [0,1,0,1,0,0|1,0,1]=4 4527 B14R1.3311 CCOC(=O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000188475 [0,1,0,1,0,0|1,0,1]=4 4528 B14R1.3311 CCOC(=O)COC1CCCC1(C)C 34a_100000726220_100000188475 [0,1,0,1,0,0|1,0,1]=4 4529 B14R1.3311 CCOC(=O)COC1CCCC1(C)C 7a_100000726220_100000188475 [0,1,0,1,0,0|1,0,1]=4 4530 B14R1.7341 CCOC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000188475 [0,1,0,1,0,0|1,0,1]=4 4531 B14R1.7341 CCOC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000188475 [0,1,0,1,0,0|1,0,1]=4 4532 B14R1.2617 CCOC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000188475 [0,1,0,1,0,0|1,0,1]=4 4533 B14R1.2617 CCOC(=O)COCC1(CCCC1)N 34a_100000749328_100000188475 [0,1,0,1,0,0|1,0,1]=4 4534 B14R1.20 CCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011218191 [0,1,0,1,0,0|1,0,1]=4 4535 B14R1.20 CCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211708 [0,1,0,1,0,0|1,0,1]=4 4536 B14R1.100 CCOC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000188475 [0,1,0,1,0,0|1,0,1]=4 4537 B14R1.100 CCOC(=O)CNC(C)C1CCCC1 34a_100015185923_100000188475 [0,1,0,1,0,0|1,0,1]=4 4538 B14R1.100 CCOC(=O)COC(C)C1CCCC1 34a_100011216366_100000188475 [0,1,0,1,0,0|1,0,1]=4 4539 B14R1.100 CCOC(=O)COC(C)C1CCCC1 7a_100011216366_100000188475 [0,1,0,1,0,0|1,0,1]=4 4540 B14R1.1047 CCCCCC(C)NC1CCOC1=O 2230a_100000211957_100000211211 [0,1,0,1,0,0|1,0,1]=4 4541 B14R1.1047 CCCCCC(C)OC1CCOC1=O 34a_100011215632_100000211211 [0,1,0,1,0,0|1,0,1]=4 4542 B14R1.1047 CCCCCC(C)OC1CCOC1=O 7a_100011215632_100000211211 [0,1,0,1,0,0|1,0,1]=4 4543 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_100000211211_200011218191 [0,1,0,1,0,0|1,0,1]=4 4544 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_200011218191_100000211211 [0,1,0,1,0,0|1,0,1]=4 4545 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000188475 [0,1,0,1,0,0|1,0,1]=4 4546 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 34a_100000741114_100000188475 [0,1,0,1,0,0|1,0,1]=4 4547 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 34a_100011215885_100000188475 [0,1,0,1,0,0|1,0,1]=4 4548 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 7a_100011215885_100000188475 [0,1,0,1,0,0|1,0,1]=4 4549 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000188475 [0,1,0,1,0,0|1,0,1]=4 4550 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000188475 [0,1,0,1,0,0|1,0,1]=4 4551 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 34a_100000210447_100000188475 [0,1,0,1,0,0|1,0,1]=4 4552 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 11a_100000182618_100014798877 [0,1,0,1,0,0|1,0,1]=4 4553 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100014798877 [0,1,0,1,0,0|1,0,1]=4 4554 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100014798877 [0,1,0,1,0,0|1,0,1]=4 4555 B14R1.60 CCOC(=O)C(C)NC1CCCCC1 2230a_100000182618_100011215307 [0,1,0,1,0,0|1,0,1]=4 4556 B14R1.60 CCOC(=O)C(C)NC1CCCCC1 34a_100000182618_100011216346 [0,1,0,1,0,0|1,0,1]=4 4557 B14R1.60 CCOC(=O)C(C)OC1CCCCC1 34a_100000210231_100011216346 [0,1,0,1,0,0|1,0,1]=4 4558 B14R1.60 CCOC(=O)C(C)OC1CCCCC1 7a_100000210231_100011216346 [0,1,0,1,0,0|1,0,1]=4 4559 B14R1.60 CCOC(=O)C(C)SC1CCCCC1 62a_100000210327_100011216346 [0,1,0,1,0,0|1,0,1]=4 4560 B14R1.60 CCOC(=O)C(C)SC1CCCCC1 62a_100011216346_100000210327 [0,1,0,1,0,0|1,0,1]=4 4561 B14R1.60 CCOC(=O)C(F)NC1CCCCC1 2230a_100000182618_100000760018 [0,1,0,1,0,0|1,0,1]=4 4562 B14R1.60 CCOC(=O)C(F)NC1CCCCC1 34a_100000182618_100000760018 [0,1,0,1,0,0|1,0,1]=4 4563 B14R1.60 CCOC(=O)C(F)OC1CCCCC1 34a_100000210231_100000760018 [0,1,0,1,0,0|1,0,1]=4 4564 B14R1.60 CCOC(=O)C(F)OC1CCCCC1 7a_100000210231_100000040065 [0,1,0,1,0,0|1,0,1]=4 4565 B14R1.60 CCOC(=O)C(F)SC1CCCCC1 62a_100000210327_100000760018 [0,1,0,1,0,0|1,0,1]=4 4566 B14R1.60 CCOC(=O)C(F)SC1CCCCC1 62a_100000760018_100000210327 [0,1,0,1,0,0|1,0,1]=4 4567 B14R1.60 CCOC(=O)[C@H](C)OC1CCCCC1 7a_100000751109_100000210327 [0,1,0,1,0,0|1,0,1]=4 4568 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 11a_100000737975_100014798877 [0,1,0,1,0,0|1,0,1]=4 4569 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 1626a_100000737975_100014798877 [0,1,0,1,0,0|1,0,1]=4 4570 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 240690a_100000737975_100014798877 [0,1,0,1,0,0|1,0,1]=4 4571 B14R1.633 CCOC(=O)C(C)NCC1CCCC1 2230a_100000737975_100011215307 [0,1,0,1,0,0|1,0,1]=4 4572 B14R1.633 CCOC(=O)C(C)NCC1CCCC1 34a_100000737975_100011216346 [0,1,0,1,0,0|1,0,1]=4 4573 B14R1.633 CCOC(=O)C(C)OCC1CCCC1 34a_100000742336_100011216346 [0,1,0,1,0,0|1,0,1]=4 4574 B14R1.633 CCOC(=O)C(C)OCC1CCCC1 7a_100000742336_100011216346 [0,1,0,1,0,0|1,0,1]=4 4575 B14R1.633 CCOC(=O)C(C)SCC1CCCC1 62a_100000740388_100011216346 [0,1,0,1,0,0|1,0,1]=4 4576 B14R1.633 CCOC(=O)C(C)SCC1CCCC1 62a_100011216346_100000740388 [0,1,0,1,0,0|1,0,1]=4 4577 B14R1.633 CCOC(=O)C(F)NCC1CCCC1 2230a_100000737975_100000760018 [0,1,0,1,0,0|1,0,1]=4 4578 B14R1.633 CCOC(=O)C(F)NCC1CCCC1 34a_100000737975_100000760018 [0,1,0,1,0,0|1,0,1]=4 4579 B14R1.633 CCOC(=O)C(F)OCC1CCCC1 34a_100000742336_100000760018 [0,1,0,1,0,0|1,0,1]=4 4580 B14R1.633 CCOC(=O)C(F)OCC1CCCC1 7a_100000742336_100000040065 [0,1,0,1,0,0|1,0,1]=4 4581 B14R1.633 CCOC(=O)C(F)SCC1CCCC1 62a_100000740388_100000760018 [0,1,0,1,0,0|1,0,1]=4 4582 B14R1.633 CCOC(=O)C(F)SCC1CCCC1 62a_100000760018_100000740388 [0,1,0,1,0,0|1,0,1]=4 4583 B14R1.633 CCOC(=O)[C@H](C)OCC1CCCC1 7a_100000751109_100000740388 [0,1,0,1,0,0|1,0,1]=4 4584 B14R1.3348 CCOC(=O)C(=O)N1CCCCC1C 11a_100000211376_100014798877 [0,1,0,1,0,0|1,0,1]=4 4585 B14R1.3348 CCOC(=O)C(=O)N1CCCCC1C 1626a_100000211376_100014798877 [0,1,0,1,0,0|1,0,1]=4 4586 B14R1.3348 CCOC(=O)C(=O)N1CCCCC1C 240690a_100000211376_100014798877 [0,1,0,1,0,0|1,0,1]=4 4587 B14R1.3348 CCOC(=O)C(C)N1CCCCC1C 2230a_100000211376_100011215307 [0,1,0,1,0,0|1,0,1]=4 4588 B14R1.3348 CCOC(=O)C(C)N1CCCCC1C 269982a_100000211376_100011216346 [0,1,0,1,0,0|1,0,1]=4 4589 B14R1.3348 CCOC(=O)C(C)N1CCCCC1C 34a_100000211376_100011216346 [0,1,0,1,0,0|1,0,1]=4 4590 B14R1.3348 CCOC(=O)C(F)N1CCCCC1C 2230a_100000211376_100000760018 [0,1,0,1,0,0|1,0,1]=4 4591 B14R1.3348 CCOC(=O)C(F)N1CCCCC1C 269982a_100000211376_100000760018 [0,1,0,1,0,0|1,0,1]=4 4592 B14R1.3348 CCOC(=O)C(F)N1CCCCC1C 34a_100000211376_100000760018 [0,1,0,1,0,0|1,0,1]=4 4593 B14R1.3354 CCOC(=O)C(=O)N1CCCC1CC 11a_100000754278_100014798877 [0,1,0,1,0,0|1,0,1]=4 4594 B14R1.3354 CCOC(=O)C(=O)N1CCCC1CC 1626a_100000754278_100014798877 [0,1,0,1,0,0|1,0,1]=4 4595 B14R1.3354 CCOC(=O)C(=O)N1CCCC1CC 240690a_100000754278_100014798877 [0,1,0,1,0,0|1,0,1]=4 4596 B14R1.3354 CCOC(=O)C(C)N1CCCC1CC 2230a_100000754278_100011215307 [0,1,0,1,0,0|1,0,1]=4 4597 B14R1.3354 CCOC(=O)C(C)N1CCCC1CC 269982a_100000754278_100011216346 [0,1,0,1,0,0|1,0,1]=4 4598 B14R1.3354 CCOC(=O)C(C)N1CCCC1CC 34a_100000754278_100011216346 [0,1,0,1,0,0|1,0,1]=4 4599 B14R1.3354 CCOC(=O)C(F)N1CCCC1CC 2230a_100000754278_100000760018 [0,1,0,1,0,0|1,0,1]=4 4600 B14R1.3354 CCOC(=O)C(F)N1CCCC1CC 269982a_100000754278_100000760018 [0,1,0,1,0,0|1,0,1]=4 4601 B14R1.3354 CCOC(=O)C(F)N1CCCC1CC 34a_100000754278_100000760018 [0,1,0,1,0,0|1,0,1]=4 4602 B14R1.3356 CCOC(=O)C(C)OC1CCCC1C 34a_100011216460_100011216346 [0,1,0,1,0,0|1,0,1]=4 4603 B14R1.3356 CCOC(=O)C(C)OC1CCCC1C 7a_100011216460_100011216346 [0,1,0,1,0,0|1,0,1]=4 4604 B14R1.3356 CCOC(=O)C(F)OC1CCCC1C 34a_100011216460_100000760018 [0,1,0,1,0,0|1,0,1]=4 4605 B14R1.3356 CCOC(=O)C(F)OC1CCCC1C 7a_100011216460_100000040065 [0,1,0,1,0,0|1,0,1]=4 4606 B14R1.10397 CCOC(=O)C(=O)N1CCCCCC1 11a_100000185865_100014798877 [0,1,0,1,0,0|1,0,1]=4 4607 B14R1.10397 CCOC(=O)C(=O)N1CCCCCC1 1626a_100000185865_100014798877 [0,1,0,1,0,0|1,0,1]=4 4608 B14R1.10397 CCOC(=O)C(=O)N1CCCCCC1 240690a_100000185865_100014798877 [0,1,0,1,0,0|1,0,1]=4 4609 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 2230a_100000185865_100011215307 [0,1,0,1,0,0|1,0,1]=4 4610 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 269982a_100000185865_100011216346 [0,1,0,1,0,0|1,0,1]=4 4611 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 34a_100000185865_100011216346 [0,1,0,1,0,0|1,0,1]=4 4612 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 2230a_100000185865_100000760018 [0,1,0,1,0,0|1,0,1]=4 4613 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 269982a_100000185865_100000760018 [0,1,0,1,0,0|1,0,1]=4 4614 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 34a_100000185865_100000760018 [0,1,0,1,0,0|1,0,1]=4 4615 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000188475 [0,1,0,1,0,0|0,0,2]=4 4616 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000243816_100000210327 [0,1,0,1,0,0|0,0,2]=4 4617 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000188475 [0,1,0,1,0,0|1,0,1]=4 4618 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000188475 [0,1,0,1,0,0|1,0,1]=4 4619 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 270004a_100000220588_100000210434 [0,1,0,1,0,0|1,0,1]=4 4620 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 34a_100000207522_100000188475 [0,1,0,1,0,0|1,0,1]=4 4621 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000188475 [0,1,0,1,0,0|0,0,2]=4 4622 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000243816_100000740388 [0,1,0,1,0,0|0,0,2]=4 4623 B14R1.621 CCOC(=O)CN(C)CC1CCCC1 2230a_100000220588_100000740388 [0,1,0,1,0,0|1,0,1]=4 4624 B14R1.3242 CCOC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000188475 [0,1,0,1,0,0|0,0,2]=4 4625 B14R1.3360 CCCCCCC(=O)C1CCOC1=O 1458a_100102632555_100000211211 [0,1,0,1,0,0|0,0,2]=4 4626 B14R1.3360 CCCCCCN(C)C1CCOC1=O 2230a_106256046315_100000211211 [0,1,0,1,0,0|1,0,1]=4 4627 B14R1.3360 CCCCCCN(C)C1CCOC1=O 269982a_106256046315_100000211211 [0,1,0,1,0,0|1,0,1]=4 4628 B14R1.167 CC(C)OC(=O)COC1CCCC1C 34a_100011216460_100011215430 [0,1,0,1,0,0|1,0,1]=4 4629 B14R1.167 CC(C)OC(=O)COC1CCCC1C 7a_100011216460_100011215430 [0,1,0,1,0,0|1,0,1]=4 4630 B14R1.337 CC(C)OC(=O)CN1CCCCC1C 2230a_100000211376_100011215430 [0,1,0,1,0,0|1,0,1]=4 4631 B14R1.337 CC(C)OC(=O)CN1CCCCC1C 269982a_100000211376_100011215430 [0,1,0,1,0,0|1,0,1]=4 4632 B14R1.337 CC(C)OC(=O)CN1CCCCC1C 34a_100000211376_100011215430 [0,1,0,1,0,0|1,0,1]=4 4633 B14R1.818 CC(C)OC(=O)CNC1CCCCC1 2230a_100000182618_100011215430 [0,1,0,1,0,0|1,0,1]=4 4634 B14R1.818 CC(C)OC(=O)CNC1CCCCC1 34a_100000182618_100011215430 [0,1,0,1,0,0|1,0,1]=4 4635 B14R1.818 CC(C)OC(=O)COC1CCCCC1 34a_100000210231_100011215430 [0,1,0,1,0,0|1,0,1]=4 4636 B14R1.818 CC(C)OC(=O)COC1CCCCC1 7a_100000210231_100011215430 [0,1,0,1,0,0|1,0,1]=4 4637 B14R1.818 CC(C)OC(=O)CSC1CCCCC1 62a_100000210327_100011215430 [0,1,0,1,0,0|1,0,1]=4 4638 B14R1.818 CC(C)OC(=O)CSC1CCCCC1 62a_100011215430_100000210327 [0,1,0,1,0,0|1,0,1]=4 4639 B14R1.849 CCC1CCCN1CC(=O)OC(C)C 2230a_100000754278_100011215430 [0,1,0,1,0,0|1,0,1]=4 4640 B14R1.849 CCC1CCCN1CC(=O)OC(C)C 269982a_100000754278_100011215430 [0,1,0,1,0,0|1,0,1]=4 4641 B14R1.849 CCC1CCCN1CC(=O)OC(C)C 34a_100000754278_100011215430 [0,1,0,1,0,0|1,0,1]=4 4642 B14R1.6454 CC(C)OC(=O)CNCC1CCCC1 2230a_100000737975_100011215430 [0,1,0,1,0,0|1,0,1]=4 4643 B14R1.6454 CC(C)OC(=O)CNCC1CCCC1 34a_100000737975_100011215430 [0,1,0,1,0,0|1,0,1]=4 4644 B14R1.6454 CC(C)OC(=O)COCC1CCCC1 34a_100000742336_100011215430 [0,1,0,1,0,0|1,0,1]=4 4645 B14R1.6454 CC(C)OC(=O)COCC1CCCC1 7a_100000742336_100011215430 [0,1,0,1,0,0|1,0,1]=4 4646 B14R1.6454 CC(C)OC(=O)CSCC1CCCC1 62a_100000740388_100011215430 [0,1,0,1,0,0|1,0,1]=4 4647 B14R1.6454 CC(C)OC(=O)CSCC1CCCC1 62a_100011215430_100000740388 [0,1,0,1,0,0|1,0,1]=4 4648 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 2230a_100000185865_100011215430 [0,1,0,1,0,0|1,0,1]=4 4649 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 269982a_100000185865_100011215430 [0,1,0,1,0,0|1,0,1]=4 4650 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 34a_100000185865_100011215430 [0,1,0,1,0,0|1,0,1]=4 4651 B14R2.21 O=C1CN(CCO1)C2CCCCC2 270004a_100000131268_100000210434 [0,0,0,2,0,0|1,0,1]=4 4652 B14R2.716 O=C1CN(CCO1)CC2CCCC2 2230a_100000131268_100000740388 [0,0,0,2,0,0|1,0,1]=4 4653 B14R2.30 O=C1OCCC1NC2CCCCC2 2230a_100000182618_100000211211 [0,0,0,2,0,0|1,0,1]=4 4654 B14R2.30 O=C1OCCC1NC2CCCCC2 34a_100000182618_100000211211 [0,0,0,2,0,0|1,0,1]=4 4655 B14R2.30 O=C1OCCC1OC2CCCCC2 34a_100000210231_100000211211 [0,0,0,2,0,0|1,0,1]=4 4656 B14R2.30 O=C1OCCC1OC2CCCCC2 7a_100000210231_100000211211 [0,0,0,2,0,0|1,0,1]=4 4657 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000210327_100000211211 [0,0,0,2,0,0|1,0,1]=4 4658 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000211211_100000210327 [0,0,0,2,0,0|1,0,1]=4 4659 B14R2.9917 CCOC(=O)CN1C2CCC1CC2 2230a_100000735658_100000188475 [0,0,0,2,0,0|1,0,1]=4 4660 B14R2.9917 CCOC(=O)CN1C2CCC1CC2 269982a_100000735658_100000188475 [0,0,0,2,0,0|1,0,1]=4 4661 B14R2.9917 CCOC(=O)CN1C2CCC1CC2 34a_100000735658_100000188475 [0,0,0,2,0,0|1,0,1]=4 4662 B14R2.15288 CCOC(=O)COC1CCC2C1C2 34a_200012295571_100000188475 [0,0,0,2,0,0|1,0,1]=4 4663 B14R2.384 O=C1OCCC1NCC2CCCC2 2230a_100000737975_100000211211 [0,0,0,2,0,0|1,0,1]=4 4664 B14R2.384 O=C1OCCC1NCC2CCCC2 34a_100000737975_100000211211 [0,0,0,2,0,0|1,0,1]=4 4665 B14R2.384 O=C1OCCC1OCC2CCCC2 34a_100000742336_100000211211 [0,0,0,2,0,0|1,0,1]=4 4666 B14R2.384 O=C1OCCC1OCC2CCCC2 7a_100000742336_100000211211 [0,0,0,2,0,0|1,0,1]=4 4667 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000211211_100000740388 [0,0,0,2,0,0|1,0,1]=4 4668 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000740388_100000211211 [0,0,0,2,0,0|1,0,1]=4 4669 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 2230a_100000743476_100000188475 [0,0,0,2,0,0|1,0,1]=4 4670 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 269982a_100000743476_100000188475 [0,0,0,2,0,0|1,0,1]=4 4671 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 34a_100000743476_100000188475 [0,0,0,2,0,0|1,0,1]=4 4672 B14R2.170 CCC1CCCN1C2CCOC2=O 2230a_100000754278_100000211211 [0,0,0,2,0,0|1,0,1]=4 4673 B14R2.170 CCC1CCCN1C2CCOC2=O 269982a_100000754278_100000211211 [0,0,0,2,0,0|1,0,1]=4 4674 B14R2.170 CCC1CCCN1C2CCOC2=O 34a_100000754278_100000211211 [0,0,0,2,0,0|1,0,1]=4 4675 B14R2.1247 CCOC(=O)CN1CCCC12CC2 2230a_100020620911_100000188475 [0,0,0,2,0,0|1,0,1]=4 4676 B14R2.1247 CCOC(=O)CN1CCCC12CC2 269982a_100020620911_100000188475 [0,0,0,2,0,0|1,0,1]=4 4677 B14R2.1247 CCOC(=O)CN1CCCC12CC2 34a_100020620911_100000188475 [0,0,0,2,0,0|1,0,1]=4 4678 B14R2.309 CC1CCCC1OC2CCOC2=O 34a_100011216460_100000211211 [0,0,0,2,0,0|1,0,1]=4 4679 B14R2.309 CC1CCCC1OC2CCOC2=O 7a_100011216460_100000211211 [0,0,0,2,0,0|1,0,1]=4 4680 B14R2.296 CC1CCCCN1C2CCOC2=O 2230a_100000211376_100000211211 [0,0,0,2,0,0|1,0,1]=4 4681 B14R2.296 CC1CCCCN1C2CCOC2=O 269982a_100000211376_100000211211 [0,0,0,2,0,0|1,0,1]=4 4682 B14R2.296 CC1CCCCN1C2CCOC2=O 34a_100000211376_100000211211 [0,0,0,2,0,0|1,0,1]=4 4683 B14R2.5202 O=C1OCCC1N2CCCCCC2 2230a_100000185865_100000211211 [0,0,0,2,0,0|1,0,1]=4 4684 B14R2.5202 O=C1OCCC1N2CCCCCC2 269982a_100000185865_100000211211 [0,0,0,2,0,0|1,0,1]=4 4685 B14R2.5202 O=C1OCCC1N2CCCCCC2 34a_100000185865_100000211211 [0,0,0,2,0,0|1,0,1]=4