0 B13R0.2 C#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B13R0.2 C#CCCCCCOCC(=O)OCC 34a_100000766912_100000188475 [0,0,0,0,0,0|1,0,3]=4 2 B13R0.2 C#CCCCCCOCC(=O)OCC 7a_100000766912_100000188475 [0,0,0,0,0,0|1,0,3]=4 3 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100000188475_100012094781 [0,0,0,0,0,0|1,0,3]=4 4 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100012094781_100000188475 [0,0,0,0,0,0|1,0,3]=4 5 B13R0.2 C#CCCCNC/C=C/C(=O)OCC 34a_100000718082_100016267167 [0,0,0,0,0,0|1,0,2]=3 6 B13R0.2 C#CCCCOC/C=C/C(=O)OCC 34a_100000215630_100016267167 [0,0,0,0,0,0|1,0,2]=3 7 B13R0.2 C#CCCCOC/C=C/C(=O)OCC 7a_100000215630_100016267167 [0,0,0,0,0,0|1,0,2]=3 8 B13R0.2 C#CCCCSC/C=C/C(=O)OCC 62a_100011215417_100016267167 [0,0,0,0,0,0|1,0,2]=3 9 B13R0.2 C#CCCCSC/C=C/C(=O)OCC 62a_100016267167_100011215417 [0,0,0,0,0,0|1,0,2]=3 10 B13R0.2 C/C=C/CCOC/C=C/C(=O)OCC 34a_100016278192_100016267167 [0,0,0,0,0,0|1,0,2]=3 11 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,0,0,0,0,0|1,0,2]=3 12 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,0,0,0,0,0|1,0,3]=4 13 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,0,0,0,0,0|1,0,3]=4 14 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,0,0,0,0,0|1,0,3]=4 15 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,0,0,0,0,0|1,0,3]=4 16 B13R0.2 C=CCCCNC/C=C/C(=O)OCC 2230a_100000700776_100016267167 [0,0,0,0,0,0|1,0,2]=3 17 B13R0.2 C=CCCCNC/C=C/C(=O)OCC 34a_100000700776_100016267167 [0,0,0,0,0,0|1,0,2]=3 18 B13R0.2 C=CCCCOC/C=C/C(=O)OCC 34a_100000758997_100016267167 [0,0,0,0,0,0|1,0,2]=3 19 B13R0.2 C=CCCCOC/C=C/C(=O)OCC 7a_100000758997_100016267167 [0,0,0,0,0,0|1,0,2]=3 20 B13R0.2 C=CCCCSC/C=C/C(=O)OCC 62a_100011713584_100016267167 [0,0,0,0,0,0|1,0,2]=3 21 B13R0.2 C=CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000757094 [0,0,0,0,0,0|1,0,2]=3 22 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,0,0,0,0,0|1,0,3]=4 23 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,0,0,0,0,0|1,0,3]=4 24 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,0,0,0,0,0|1,0,3]=4 25 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,0,0,0,0,0|1,0,3]=4 26 B13R0.2 C=COCCOC/C=C/C(=O)OCC 34a_100000033082_100016267167 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.2 C=COCCSC/C=C/C(=O)OCC 62a_100000039644_100016267167 [0,0,0,0,0,0|2,0,2]=4 28 B13R0.2 C=COCCSC/C=C/C(=O)OCC 62a_100016267167_100000039644 [0,0,0,0,0,0|2,0,2]=4 29 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,0,0,0,0,0|1,0,3]=4 30 B13R0.2 CC#CCCOC/C=C/C(=O)OCC 34a_100000750427_100016267167 [0,0,0,0,0,0|1,0,2]=3 31 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,0,0,0,0,0|1,0,3]=4 32 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,0,0,0,0,0|1,0,3]=4 33 B13R0.2 CC/C=C\COC/C=C/C(=O)OCC 34a_100016268518_100016267167 [0,0,0,0,0,0|1,0,2]=3 34 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100016267167_100103147603 [0,0,0,0,0,0|1,0,2]=3 35 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100103147603_100016267167 [0,0,0,0,0,0|1,0,2]=3 36 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,0,0,0,0,0|1,0,3]=4 37 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,0,0,0,0,0|2,0,2]=4 38 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,0,0,0,0,0|2,0,2]=4 39 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,0,0,0,0,0|2,0,2]=4 40 B13R0.2 CCC#CCOC/C=C/C(=O)OCC 34a_100000032950_100016267167 [0,0,0,0,0,0|1,0,2]=3 41 B13R0.2 CCC#CCSC/C=C/C(=O)OCC 62a_100009813939_100016267167 [0,0,0,0,0,0|1,0,2]=3 42 B13R0.2 CCC#CCSC/C=C/C(=O)OCC 62a_100016267167_100009813939 [0,0,0,0,0,0|1,0,2]=3 43 B13R0.2 CCCC#CCCOCC(=O)OCC 34a_100000042726_100000188475 [0,0,0,0,0,0|1,0,3]=4 44 B13R0.2 CCCC#CCCOCC(=O)OCC 7a_100000042726_100000188475 [0,0,0,0,0,0|1,0,3]=4 45 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,0,0,0,0,0|2,0,2]=4 46 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,0,0,0,0,0|3,0,1]=4 47 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,0,0,0,0,0|3,0,1]=4 48 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,0,0,0,0,0|3,0,1]=4 49 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,0,0,0,0,0|3,0,1]=4 50 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,0,0,0,0,0|3,0,1]=4 51 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,0,0,0,0,0|3,0,1]=4 52 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,0,0,0,0,0|3,0,1]=4 53 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,0,0,0,0,0|3,0,1]=4 54 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,0,0,0,0,0|3,0,1]=4 55 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,0,0,0,0,0|3,0,1]=4 56 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,0,0,0,0,0|1,0,3]=4 57 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,0,0,0,0,0|1,0,3]=4 58 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,0,0,0,0,0|1,0,3]=4 59 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,0,0,0,0,0|1,0,3]=4 60 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,0,0,0,0,0|1,0,2]=3 61 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,0,0,0,0,0|2,0,2]=4 62 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,0,0,0,0,0|2,0,2]=4 63 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,0,0,0,0,0|1,0,2]=3 64 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,0,0,0,0,0|1,0,2]=3 65 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,0,0,0,0,0|2,0,2]=4 66 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,0,0,0,0,0|3,0,1]=4 67 B13R0.2 CCCCCCCC=CC(=O)CC#N 1458a_200015332781_100011214920 [0,0,0,0,0,0|2,0,1]=3 68 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,0,0,0,0,0|1,0,0]=1 69 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,0,0,0,0,0|2,0,0]=2 70 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,0,0,0,0,0|2,0,0]=2 71 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,0,0,0,0,0|1,0,0]=1 72 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,0,0,0,0,0|1,0,0]=1 73 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,0,0,0,0,0|2,0,0]=2 74 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,0,0,0,0,0|1,0,2]=3 75 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,0,0,0,0,0|1,0,2]=3 76 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,0,0,0,0,0|2,0,2]=4 77 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,0,0,0,0,0|2,0,2]=4 78 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,0,0,0,0,0|2,0,2]=4 79 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,0,0,0,0,0|2,0,2]=4 80 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,0,0,0,0,0|2,0,2]=4 81 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,0,0,0,0,0|1,0,2]=3 82 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,0,0,0,0,0|1,0,2]=3 83 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,0,0,0,0,0|1,0,2]=3 84 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,0,0,0,0,0|2,0,2]=4 85 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,0,0,0,0,0|1,0,3]=4 86 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,0,0,0,0,0|1,0,3]=4 87 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,0,0,0,0,0|2,0,1]=3 88 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,0,0,0,0,0|2,0,1]=3 89 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,0,0,0,0,0|2,0,1]=3 90 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,0,0,0,0,0|2,0,1]=3 91 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,0,0,0,0,0|3,0,1]=4 92 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,0,0,0,0,0|3,0,1]=4 93 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,0,0,0,0,0|3,0,1]=4 94 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,0,0,0,0,0|3,0,1]=4 95 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,0,0,0,0,0|3,0,1]=4 96 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,0,0,0,0,0|3,0,1]=4 97 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,0,0,0,0,0|3,0,1]=4 98 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,0,0,0,0,0|3,0,1]=4 99 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,0,0,0,0,0|3,0,1]=4 100 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,0,0,0,0,0|2,0,1]=3 101 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,0,0,0,0,0|2,0,1]=3 102 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,0,0,0,0,0|2,0,1]=3 103 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,0,0,0,0,0|2,0,1]=3 104 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,0,0,0,0,0|2,0,1]=3 105 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,0,0,0,0,0|2,0,1]=3 106 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,0,0,0,0,0|3,0,1]=4 107 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,0,0,0,0,0|3,0,1]=4 108 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,0,0,0,0,0|3,0,1]=4 109 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,0,0,0,0,0|2,0,1]=3 110 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,0,0,0,0,0|2,0,1]=3 111 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,0,0,0,0,0|2,0,1]=3 112 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,0,0,0,0,0|3,0,1]=4 113 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,0,0,0,0,0|1,0,1]=2 114 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,0,0,0,0,0|2,0,1]=3 115 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,0,0,0,0,0|2,0,1]=3 116 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,0,0,0,0,0|2,0,1]=3 117 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,0,0,0,0,0|3,0,1]=4 118 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,0,0,0,0,0|3,0,1]=4 119 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,0,0,0,0,0|1,0,1]=2 120 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,0,0,0,0,0|1,0,1]=2 121 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,0,0,0,0,0|2,0,1]=3 122 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,0,0,0,0,0|2,0,1]=3 123 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,0,0,0,0,0|2,0,1]=3 124 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,0,0,0,0,0|2,0,1]=3 125 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,0,0,0,0,0|3,0,1]=4 126 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,0,0,0,0,0|3,0,1]=4 127 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,0,0,0,0,0|1,0,1]=2 128 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,0,0,0,0,0|1,0,1]=2 129 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,0,0,0,0,0|2,0,2]=4 130 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,0,0,0,0,0|2,0,2]=4 131 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,0,0,0,0,0|1,0,2]=3 132 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,0,0,0,0,0|3,0,1]=4 133 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,0,0,0,0,0|2,0,2]=4 134 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,0,0,0,0,0|1,0,2]=3 135 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,0,0,0,0,0|1,0,2]=3 136 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,0,0,0,0,0|3,0,1]=4 137 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,0,0,0,0,0|2,0,2]=4 138 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,0,0,0,0,0|2,0,2]=4 139 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,0,0,0,0,0|1,0,2]=3 140 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,0,0,0,0,0|1,0,2]=3 141 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,0,0,0,0,0|3,0,1]=4 142 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,0,0,0,0,0|2,0,1]=3 143 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,0,0,0,0,0|1,0,0]=1 144 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,0,0,0,0,0|1,0,2]=3 145 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,0,0,0,0,0|2,0,1]=3 146 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,0,0,0,0,0|1,0,0]=1 147 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,0,0,0,0,0|1,0,0]=1 148 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,0,0,0,0,0|1,0,2]=3 149 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,0,0,0,0,0|1,0,2]=3 150 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,0,0,0,0,0|1,0,2]=3 151 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,0,0,0,0,0|2,0,1]=3 152 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,0,0,0,0,0|2,0,1]=3 153 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,0,0,0,0,0|1,0,0]=1 154 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,0,0,0,0,0|1,0,0]=1 155 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,0,0,0,0,0|1,0,2]=3 156 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,0,0,0,0,0|1,0,2]=3 157 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,0,0,0,0,0|2,0,1]=3 158 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,0,0,0,0,0|1,0,2]=3 159 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,0,0,0,0,0|1,0,2]=3 160 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,0,0,0,0,0|2,0,1]=3 161 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,0,0,0,0,0|2,0,1]=3 162 B13R0.2 CCCCNN=CC=CC(=O)OCC 4a_100025702795_100016289910 [0,0,0,0,0,0|2,0,1]=3 163 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,0,0,0,0,0|1,0,2]=3 164 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,0,0,0,0,0|1,0,2]=3 165 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,0,0,0,0,0|3,0,1]=4 166 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,0,0,0,0,0|3,0,1]=4 167 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,0,0,0,0,0|3,0,1]=4 168 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,0,0,0,0,0|3,0,1]=4 169 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,0,0,0,0,0|3,0,1]=4 170 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,0,0,0,0,0|3,0,1]=4 171 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,0,0,0,0,0|3,0,1]=4 172 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,0,0,0,0,0|3,0,1]=4 173 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,0,0,0,0,0|3,0,1]=4 174 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,0,0,0,0,0|3,0,1]=4 175 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,0,0,0,0,0|3,0,1]=4 176 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,0,0,0,0,0|3,0,1]=4 177 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,0,0,0,0,0|3,0,1]=4 178 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,0,0,0,0,0|3,0,1]=4 179 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,0,0,0,0,0|3,0,1]=4 180 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,0,0,0,0,0|3,0,1]=4 181 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,0,0,0,0,0|3,0,1]=4 182 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,0,0,0,0,0|2,0,1]=3 183 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,0,0,0,0,0|2,0,1]=3 184 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,0,0,0,0,0|2,0,1]=3 185 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,0,0,0,0,0|2,0,1]=3 186 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,0,0,0,0,0|3,0,1]=4 187 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,0,0,0,0,0|3,0,1]=4 188 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,0,0,0,0,0|3,0,1]=4 189 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,0,0,0,0,0|3,0,1]=4 190 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,0,0,0,0,0|2,0,1]=3 191 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,0,0,0,0,0|2,0,1]=3 192 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,0,0,0,0,0|2,0,1]=3 193 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,0,0,0,0,0|2,0,2]=4 194 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,0,0,0,0,0|2,0,2]=4 195 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,0,0,0,0,0|3,0,1]=4 196 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,0,0,0,0,0|3,0,1]=4 197 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,0,0,0,0,0|1,0,2]=3 198 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,0,0,0,0,0|1,0,2]=3 199 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,0,0,0,0,0|3,0,1]=4 200 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,0,0,0,0,0|3,0,1]=4 201 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,0,0,0,0,0|2,0,1]=3 202 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,0,0,0,0,0|3,0,1]=4 203 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,0,0,0,0,0|3,0,1]=4 204 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,0,0,0,0,0|3,0,1]=4 205 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,0,0,0,0,0|2,0,1]=3 206 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,0,0,0,0,0|2,0,1]=3 207 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,0,0,0,0,0|2,0,1]=3 208 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,0,0,0,0,0|2,0,1]=3 209 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,0,0,0,0,0|1,0,2]=3 210 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,0,0,0,0,0|1,0,2]=3 211 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,0,0,0,0,0|3,0,1]=4 212 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,0,0,0,0,0|3,0,1]=4 213 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,0,0,0,0,0|3,0,1]=4 214 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,0,0,0,0,0|2,0,1]=3 215 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,0,0,0,0,0|2,0,1]=3 216 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,0,0,0,0,0|2,0,1]=3 217 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,0,0,0,0,0|2,0,2]=4 218 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,0,0,0,0,0|2,0,2]=4 219 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,0,0,0,0,0|2,0,2]=4 220 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,0,0,0,0,0|2,0,2]=4 221 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,0,0,0,0,0|2,0,2]=4 222 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,0,0,0,0,0|2,0,2]=4 223 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,0,0,0,0,0|3,0,1]=4 224 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,0,0,0,0,0|1,0,2]=3 225 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,0,0,0,0,0|1,0,2]=3 226 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,0,0,0,0,0|2,0,1]=3 227 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,0,0,0,0,0|2,0,1]=3 228 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,0,0,0,0,0|2,0,2]=4 229 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,0,0,0,0,0|2,0,2]=4 230 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,0,0,0,0,0|2,0,2]=4 231 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,0,0,0,0,0|2,0,2]=4 232 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,0,0,0,0,0|3,0,1]=4 233 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,0,0,0,0,0|3,0,1]=4 234 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,0,0,0,0,0|3,0,1]=4 235 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,0,0,0,0,0|3,0,1]=4 236 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,0,0,0,0,0|3,0,1]=4 237 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,0,0,0,0,0|3,0,1]=4 238 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,0,0,0,0,0|3,0,1]=4 239 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,0,0,0,0,0|3,0,1]=4 240 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,0,0,0,0,0|3,0,1]=4 241 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,0,0,0,0,0|3,0,1]=4 242 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,0,0,0,0,0|3,0,1]=4 243 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,0,0,0,0,0|3,0,1]=4 244 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,0,0,0,0,0|3,0,1]=4 245 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,0,0,0,0,0|3,0,1]=4 246 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,0,0,0,0,0|3,0,1]=4 247 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,0,0,0,0,0|3,0,1]=4 248 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,0,0,0,0,0|3,0,1]=4 249 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,0,0,0,0,0|3,0,1]=4 250 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,0,0,0,0,0|3,0,1]=4 251 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,0,0,0,0,0|3,0,1]=4 252 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,0,0,0,0,0|3,0,1]=4 253 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,0,0,0,0,0|3,0,1]=4 254 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,0,0,0,0,0|3,0,1]=4 255 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,0,0,0,0,0|3,0,1]=4 256 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,0,0,0,0,0|1,0,2]=3 257 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,0,0,0,0,0|2,0,0]=2 258 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,0,0,0,0,0|2,0,0]=2 259 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,0,0,0,0,0|2,0,0]=2 260 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,0,0,0,0,0|2,0,0]=2 261 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,0,0,0,0,0|2,0,0]=2 262 B13R0.2 CCOC(=O)/C=C/COCC#CCCl 34a_200000047223_100016267167 [0,0,0,0,0,0|2,0,2]=4 263 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,0,0,0,0,0|2,0,0]=2 264 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,0,0,0,0,0|2,0,0]=2 265 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,0,0,0,0,0|2,0,0]=2 266 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,0,0,0,0,0|2,0,0]=2 267 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,0,0,0,0,0|2,0,0]=2 268 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,0,0,0,0,0|2,0,0]=2 269 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,0,0,0,0,0|2,0,0]=2 270 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,0,0,0,0,0|2,0,0]=2 271 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,0,0,0,0,0|2,0,0]=2 272 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,0,0,0,0,0|2,0,0]=2 273 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,0,0,0,0,0|2,0,0]=2 274 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,0,0,0,0,0|2,0,0]=2 275 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,0,0,0,0,0|2,0,0]=2 276 B13R0.2 CCOC(=O)/C=C/CSCC#CCO 62a_100016267167_200000047223 [0,0,0,0,0,0|2,0,2]=4 277 B13R0.2 CCOC(=O)/C=C/CSCC#CCO 62a_200000047223_100016267167 [0,0,0,0,0,0|2,0,2]=4 278 B13R0.2 CCOC(=O)/C=C/CSCCCC#N 62a_100000687738_100016267167 [0,0,0,0,0,0|2,0,1]=3 279 B13R0.2 CCOC(=O)/C=C/CSCCCC#N 62a_100016267167_100000687738 [0,0,0,0,0,0|2,0,1]=3 280 B13R0.2 CCOC(=O)/C=C/CSCCCC=O 62a_100016267167_200011292268 [0,0,0,0,0,0|2,0,1]=3 281 B13R0.2 CCOC(=O)/C=C/CSCCCC=O 62a_200011292268_100016267167 [0,0,0,0,0,0|2,0,1]=3 282 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,0,0,0,0,0|2,0,0]=2 283 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,0,0,0,0,0|2,0,0]=2 284 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,0,0,0,0,0|2,0,0]=2 285 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,0,0,0,0,0|2,0,0]=2 286 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,0,0,0,0,0|2,0,0]=2 287 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,0,0,0,0,0|2,0,0]=2 288 B13R0.2 CCOC(=O)/C=C/CSCCSC#N 62a_100000034367_100016267167 [0,0,0,0,0,0|3,0,1]=4 289 B13R0.2 CCOC(=O)/C=C/CSCCSC#N 62a_100016267167_100000034367 [0,0,0,0,0,0|3,0,1]=4 290 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,0,0,0,0,0|2,0,0]=2 291 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,0,0,0,0,0|2,0,0]=2 292 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,0,0,0,0,0|1,0,2]=3 293 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,0,0,0,0,0|1,0,2]=3 294 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,0,0,0,0,0|1,0,2]=3 295 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,0,0,0,0,0|1,0,2]=3 296 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,0,0,0,0,0|1,0,2]=3 297 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,0,0,0,0,0|1,0,2]=3 298 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,0,0,0,0,0|1,0,2]=3 299 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,0,0,0,0,0|2,0,2]=4 300 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,0,0,0,0,0|2,0,2]=4 301 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,0,0,0,0,0|2,0,2]=4 302 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,0,0,0,0,0|2,0,2]=4 303 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,0,0,0,0,0|2,0,2]=4 304 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,0,0,0,0,0|2,0,2]=4 305 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,0,0,0,0,0|2,0,2]=4 306 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,0,0,0,0,0|2,0,2]=4 307 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,0,0,0,0,0|2,0,2]=4 308 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,0,0,0,0,0|2,0,2]=4 309 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,0,0,0,0,0|2,0,2]=4 310 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,0,0,0,0,0|2,0,2]=4 311 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,0,0,0,0,0|2,0,2]=4 312 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,0,0,0,0,0|2,0,2]=4 313 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,0,0,0,0,0|2,0,2]=4 314 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,0,0,0,0,0|2,0,2]=4 315 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,0,0,0,0,0|2,0,2]=4 316 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,0,0,0,0,0|2,0,2]=4 317 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,0,0,0,0,0|2,0,2]=4 318 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,0,0,0,0,0|2,0,2]=4 319 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,0,0,0,0,0|2,0,2]=4 320 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,0,0,0,0,0|2,0,2]=4 321 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,0,0,0,0,0|2,0,2]=4 322 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,0,0,0,0,0|2,0,2]=4 323 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,0,0,0,0,0|2,0,2]=4 324 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,0,0,0,0,0|2,0,2]=4 325 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,0,0,0,0,0|2,0,2]=4 326 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,0,0,0,0,0|2,0,2]=4 327 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,0,0,0,0,0|2,0,2]=4 328 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,0,0,0,0,0|2,0,2]=4 329 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,0,0,0,0,0|2,0,2]=4 330 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,0,0,0,0,0|2,0,2]=4 331 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,0,0,0,0,0|2,0,2]=4 332 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,0,0,0,0,0|2,0,2]=4 333 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,0,0,0,0,0|2,0,2]=4 334 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,0,0,0,0,0|2,0,2]=4 335 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,0,0,0,0,0|2,0,2]=4 336 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,0,0,0,0,0|2,0,2]=4 337 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,0,0,0,0,0|2,0,2]=4 338 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,0,0,0,0,0|2,0,2]=4 339 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,0,0,0,0,0|2,0,2]=4 340 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,0,0,0,0,0|2,0,2]=4 341 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,0,0,0,0,0|2,0,2]=4 342 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,0,0,0,0,0|2,0,2]=4 343 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,0,0,0,0,0|2,0,2]=4 344 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,0,0,0,0,0|2,0,2]=4 345 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,0,0,0,0,0|2,0,2]=4 346 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,0,0,0,0,0|2,0,2]=4 347 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,0,0,0,0,0|2,0,2]=4 348 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,0,0,0,0,0|2,0,2]=4 349 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,0,0,0,0,0|2,0,2]=4 350 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,0,0,0,0,0|2,0,2]=4 351 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,0,0,0,0,0|2,0,2]=4 352 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,0,0,0,0,0|2,0,2]=4 353 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,0,0,0,0,0|2,0,2]=4 354 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,0,0,0,0,0|2,0,2]=4 355 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,0,0,0,0,0|2,0,2]=4 356 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,0,0,0,0,0|2,0,2]=4 357 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,0,0,0,0,0|2,0,2]=4 358 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,0,0,0,0,0|2,0,2]=4 359 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,0,0,0,0,0|2,0,2]=4 360 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,0,0,0,0,0|2,0,2]=4 361 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,0,0,0,0,0|2,0,2]=4 362 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,0,0,0,0,0|2,0,2]=4 363 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,0,0,0,0,0|2,0,2]=4 364 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,0,0,0,0,0|2,0,2]=4 365 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,0,0,0,0,0|2,0,2]=4 366 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,0,0,0,0,0|2,0,2]=4 367 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,0,0,0,0,0|2,0,2]=4 368 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,0,0,0,0,0|2,0,2]=4 369 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,0,0,0,0,0|2,0,2]=4 370 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,0,0,0,0,0|2,0,2]=4 371 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,0,0,0,0,0|2,0,2]=4 372 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,0,0,0,0,0|2,0,2]=4 373 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,0,0,0,0,0|2,0,2]=4 374 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,0,0,0,0,0|2,0,2]=4 375 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,0,0,0,0,0|2,0,2]=4 376 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,0,0,0,0,0|2,0,2]=4 377 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,0,0,0,0,0|2,0,2]=4 378 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,0,0,0,0,0|2,0,2]=4 379 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,0,0,0,0,0|2,0,2]=4 380 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,0,0,0,0,0|2,0,2]=4 381 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,0,0,0,0,0|2,0,2]=4 382 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,0,0,0,0,0|2,0,2]=4 383 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,0,0,0,0,0|2,0,2]=4 384 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,0,0,0,0,0|2,0,1]=3 385 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,0,0,0,0,0|2,0,1]=3 386 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,0,0,0,0,0|2,0,1]=3 387 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,0,0,0,0,0|2,0,1]=3 388 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,0,0,0,0,0|3,0,1]=4 389 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,0,0,0,0,0|3,0,1]=4 390 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,0,0,0,0,0|2,0,1]=3 391 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,0,0,0,0,0|2,0,1]=3 392 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,0,0,0,0,0|2,0,1]=3 393 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,0,0,0,0,0|2,0,1]=3 394 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,0,0,0,0,0|2,0,1]=3 395 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,0,0,0,0,0|2,0,1]=3 396 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,0,0,0,0,0|2,0,1]=3 397 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,0,0,0,0,0|2,0,1]=3 398 B13R0.2 CCOC(=O)COCCCNCCF 34a_100000724931_100009893628 [0,0,0,0,0,0|3,0,1]=4 399 B13R0.2 CCOC(=O)COCCCNCCO 2230a_100016997473_100009893628 [0,0,0,0,0,0|3,0,1]=4 400 B13R0.2 CCOC(=O)COCCCNCCO 34a_100016990907_100009893628 [0,0,0,0,0,0|3,0,1]=4 401 B13R0.2 CCOC(=O)COCCCOCCBr 34a_100000211926_100009893628 [0,0,0,0,0,0|3,0,1]=4 402 B13R0.2 CCOC(=O)COCCCOCCN 34a_100000210304_100009893628 [0,0,0,0,0,0|3,0,1]=4 403 B13R0.2 CCOC(=O)COCCCSCCF 62a_100009893628_100011217306 [0,0,0,0,0,0|3,0,1]=4 404 B13R0.2 CCOC(=O)COCCCSCCF 62a_100011217306_100009893628 [0,0,0,0,0,0|3,0,1]=4 405 B13R0.2 CCOC(=O)COCCCSCCO 62a_100000211926_100009893628 [0,0,0,0,0,0|3,0,1]=4 406 B13R0.2 CCOC(=O)COCCCSCCO 62a_100009893628_100000211926 [0,0,0,0,0,0|3,0,1]=4 407 B13R0.2 CCOC(=O)COCCCSCOC 62a_100000766300_100009893628 [0,0,0,0,0,0|3,0,1]=4 408 B13R0.2 CCOC(=O)COCCCSCOC 62a_100009893628_100000766300 [0,0,0,0,0,0|3,0,1]=4 409 B13R0.2 CCOC(=O)COCCCSCSC 62a_100009893628_100011218213 [0,0,0,0,0,0|3,0,1]=4 410 B13R0.2 CCOC(=O)COCCCSCSC 62a_100011218213_100009893628 [0,0,0,0,0,0|3,0,1]=4 411 B13R0.2 CCOC(=O)COCCNCCCF 2230a_100015189416_100000088970 [0,0,0,0,0,0|3,0,1]=4 412 B13R0.2 CCOC(=O)COCCNCCCF 34a_100015189416_100000088970 [0,0,0,0,0,0|3,0,1]=4 413 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,0,0,0,0,0|3,0,1]=4 414 B13R0.2 CCOC(=O)COCCNCCSC 2230a_100020590264_100000088970 [0,0,0,0,0,0|3,0,1]=4 415 B13R0.2 CCOC(=O)COCCOCCCBr 34a_100011217188_100000088970 [0,0,0,0,0,0|3,0,1]=4 416 B13R0.2 CCOC(=O)COCCOCCCCl 34a_100000230001_100000088970 [0,0,0,0,0,0|3,0,1]=4 417 B13R0.2 CCOC(=O)COCCOCCCF 34a_100000759539_100000088970 [0,0,0,0,0,0|3,0,1]=4 418 B13R0.2 CCOC(=O)COCCOCCCN 34a_100000182051_100000088970 [0,0,0,0,0,0|3,0,1]=4 419 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,0,0,0,0,0|3,0,1]=4 420 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,0,0,0,0,0|3,0,1]=4 421 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,0,0,0,0,0|3,0,1]=4 422 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,0,0,0,0,0|3,0,1]=4 423 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,0,0,0,0,0|3,0,1]=4 424 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,0,0,0,0,0|3,0,1]=4 425 B13R0.2 CCOC(=O)COCCSCCCF 62a_100000088970_100011934791 [0,0,0,0,0,0|3,0,1]=4 426 B13R0.2 CCOC(=O)COCCSCCCF 62a_100011934791_100000088970 [0,0,0,0,0,0|3,0,1]=4 427 B13R0.2 CCOC(=O)COCCSCCCO 62a_100000088970_100011215043 [0,0,0,0,0,0|3,0,1]=4 428 B13R0.2 CCOC(=O)COCCSCCCO 62a_100011215043_100000088970 [0,0,0,0,0,0|3,0,1]=4 429 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,0,0,0,0,0|3,0,1]=4 430 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,0,0,0,0,0|3,0,1]=4 431 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000088970_100000751147 [0,0,0,0,0,0|3,0,1]=4 432 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000212216_100000088970 [0,0,0,0,0,0|3,0,1]=4 433 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100000188475_100009813376 [0,0,0,0,0,0|2,0,2]=4 434 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100009813376_100000188475 [0,0,0,0,0,0|2,0,2]=4 435 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,0,0,0,0,0|2,0,2]=4 436 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,0,0,0,0,0|2,0,2]=4 437 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,0,0,0,0,0|2,0,1]=3 438 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,0,0,0,0,0|2,0,1]=3 439 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,0,0,0,0,0|2,0,1]=3 440 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,0,0,0,0,0|2,0,1]=3 441 B13R0.2 CCOC(=O)CSCCOCCCF 7a_200000230590_100011934791 [0,0,0,0,0,0|3,0,1]=4 442 B13R0.2 CCOC(=O)CSCCOCCCO 7a_200000230590_100011215043 [0,0,0,0,0,0|3,0,1]=4 443 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,0,0,0,0,0|3,0,1]=4 444 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,0,0,0,0,0|3,0,1]=4 445 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,0,0,0,0,0|3,0,1]=4 446 B13R0.2 CCOC(=O)CSCCOCCSC 7a_200000230590_100000212216 [0,0,0,0,0,0|3,0,1]=4 447 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,0,0,0,0,0|3,0,1]=4 448 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,0,0,0,0,0|3,0,1]=4 449 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,0,0,0,0,0|3,0,1]=4 450 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,0,0,0,0,0|3,0,1]=4 451 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,0,0,0,0,0|3,0,1]=4 452 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,0,0,0,0,0|3,0,1]=4 453 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,0,0,0,0,0|3,0,1]=4 454 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,0,0,0,0,0|3,0,1]=4 455 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,0,0,0,0,0|3,0,1]=4 456 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,0,0,0,0,0|3,0,1]=4 457 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,0,0,0,0,0|3,0,1]=4 458 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,0,0,0,0,0|3,0,1]=4 459 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,0,0,0,0,0|3,0,1]=4 460 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,0,0,0,0,0|3,0,1]=4 461 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,0,0,0,0,0|3,0,1]=4 462 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,0,0,0,0,0|1,0,2]=3 463 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,0,0,0,0,0|2,0,2]=4 464 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,0,0,0,0,0|2,0,2]=4 465 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,0,0,0,0,0|2,0,2]=4 466 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,0,0,0,0,0|2,0,2]=4 467 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,0,0,0,0,0|2,0,2]=4 468 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,0,0,0,0,0|2,0,2]=4 469 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,0,0,0,0,0|3,0,1]=4 470 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,0,0,0,0,0|2,0,0]=2 471 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,0,0,0,0,0|2,0,0]=2 472 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,0,0,0,0,0|2,0,2]=4 473 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,0,0,0,0,0|2,0,2]=4 474 B13R0.2 CCOCCNN=C[CH-]C(=O)OCC 4a_100000732670_100010622808 [0,0,0,0,0,0|3,0,1]=4 475 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,0,0,0,0,0|2,0,0]=2 476 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,0,0,0,0,0|2,0,0]=2 477 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,0,0,0,0,0|2,0,2]=4 478 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,0,0,0,0,0|2,0,2]=4 479 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,0,0,0,0,0|2,0,2]=4 480 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,0,0,0,0,0|3,0,1]=4 481 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,0,0,0,0,0|3,0,1]=4 482 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,0,0,0,0,0|2,0,0]=2 483 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,0,0,0,0,0|2,0,0]=2 484 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,0,0,0,0,0|2,0,2]=4 485 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,0,0,0,0,0|2,0,2]=4 486 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,0,0,0,0,0|3,0,1]=4 487 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,0,0,0,0,0|2,0,2]=4 488 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,0,0,0,0,0|2,0,2]=4 489 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000088970_100000739092 [0,0,0,0,0,0|3,0,1]=4 490 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000739092_100000088970 [0,0,0,0,0,0|3,0,1]=4 491 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [1,0,0,0,0,0|1,0,2]=4 492 B12R0.1 C#CCCNC/C=C/C(=O)OCC 34a_100000755551_100016267167 [1,0,0,0,0,0|1,0,2]=4 493 B12R0.1 C#CCCOC/C=C/C(=O)OCC 34a_100011215631_100016267167 [1,0,0,0,0,0|1,0,2]=4 494 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100000688953_100016267167 [1,0,0,0,0,0|1,0,2]=4 495 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100016267167_100000688953 [1,0,0,0,0,0|1,0,2]=4 496 B12R0.1 C/C=C/COC/C=C/C(=O)OCC 34a_100016270725_100016267167 [1,0,0,0,0,0|1,0,2]=4 497 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100016267167_100102629194 [1,0,0,0,0,0|1,0,2]=4 498 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100102629194_100016267167 [1,0,0,0,0,0|1,0,2]=4 499 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [1,0,0,0,0,0|1,0,2]=4 500 B12R0.1 C=CCCNC/C=C/C(=O)OCC 2230a_100015191253_100016267167 [1,0,0,0,0,0|1,0,2]=4 501 B12R0.1 C=CCCOC/C=C/C(=O)OCC 34a_100011205117_100016267167 [1,0,0,0,0,0|1,0,2]=4 502 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100000754431_100016267167 [1,0,0,0,0,0|1,0,2]=4 503 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100016267167_100000754431 [1,0,0,0,0,0|1,0,2]=4 504 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [1,0,0,0,0,0|1,0,2]=4 505 B12R0.1 CC#CCNC/C=C/C(=O)OCC 2230a_100000685387_100016267167 [1,0,0,0,0,0|1,0,2]=4 506 B12R0.1 CC#CCNC/C=C/C(=O)OCC 34a_100000685387_100016267167 [1,0,0,0,0,0|1,0,2]=4 507 B12R0.1 CC#CCOC/C=C/C(=O)OCC 34a_100000761923_100016267167 [1,0,0,0,0,0|1,0,2]=4 508 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100000748600_100016267167 [1,0,0,0,0,0|1,0,2]=4 509 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100016267167_100000748600 [1,0,0,0,0,0|1,0,2]=4 510 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [1,0,0,0,0,0|1,0,2]=4 511 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [1,0,0,0,0,0|2,0,1]=4 512 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [1,0,0,0,0,0|2,0,1]=4 513 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [1,0,0,0,0,0|2,0,1]=4 514 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100000070051_100016267167 [1,0,0,0,0,0|1,0,2]=4 515 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100016267167_100000070051 [1,0,0,0,0,0|1,0,2]=4 516 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,0,0,0,0,0|2,0,1]=4 517 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,0,0,0,0,0|2,0,1]=4 518 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [1,0,0,0,0,0|2,0,1]=4 519 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [1,0,0,0,0,0|3,0,0]=4 520 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [1,0,0,0,0,0|3,0,0]=4 521 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 522 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 523 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 524 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 525 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,0,0,0,0,0|1,0,2]=4 526 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [1,0,0,0,0,0|1,0,2]=4 527 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [1,0,0,0,0,0|1,0,2]=4 528 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [1,0,0,0,0,0|2,0,1]=4 529 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [1,0,0,0,0,0|1,0,0]=2 530 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [1,0,0,0,0,0|2,0,0]=3 531 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [1,0,0,0,0,0|2,0,0]=3 532 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [1,0,0,0,0,0|1,0,0]=2 533 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [1,0,0,0,0,0|1,0,0]=2 534 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [1,0,0,0,0,0|2,0,0]=3 535 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [1,0,0,0,0,0|1,0,1]=3 536 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [1,0,0,0,0,0|1,0,1]=3 537 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [1,0,0,0,0,0|2,0,1]=4 538 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,0,0,0,0,0|2,0,1]=4 539 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,0,0,0,0,0|2,0,1]=4 540 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,0,0,0,0,0|2,0,1]=4 541 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [1,0,0,0,0,0|2,0,1]=4 542 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [1,0,0,0,0,0|1,0,1]=3 543 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [1,0,0,0,0,0|1,0,1]=3 544 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [1,0,0,0,0,0|1,0,1]=3 545 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [1,0,0,0,0,0|2,0,1]=4 546 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [1,0,0,0,0,0|1,0,2]=4 547 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [1,0,0,0,0,0|1,0,2]=4 548 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 549 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 550 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 551 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 552 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [1,0,0,0,0,0|3,0,0]=4 553 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 554 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 555 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 556 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 557 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 558 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 559 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 560 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 561 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 562 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 563 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 564 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 565 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 566 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 567 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [1,0,0,0,0,0|3,0,0]=4 568 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [1,0,0,0,0,0|3,0,0]=4 569 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [1,0,0,0,0,0|3,0,0]=4 570 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [1,0,0,0,0,0|2,0,1]=4 571 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [1,0,0,0,0,0|2,0,1]=4 572 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [1,0,0,0,0,0|2,0,1]=4 573 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [1,0,0,0,0,0|1,0,1]=3 574 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [1,0,0,0,0,0|2,0,1]=4 575 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [1,0,0,0,0,0|2,0,1]=4 576 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [1,0,0,0,0,0|2,0,1]=4 577 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [1,0,0,0,0,0|1,0,1]=3 578 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [1,0,0,0,0,0|1,0,1]=3 579 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [1,0,0,0,0,0|2,0,1]=4 580 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [1,0,0,0,0,0|2,0,1]=4 581 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [1,0,0,0,0,0|2,0,1]=4 582 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [1,0,0,0,0,0|2,0,1]=4 583 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [1,0,0,0,0,0|1,0,1]=3 584 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [1,0,0,0,0,0|1,0,1]=3 585 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [1,0,0,0,0,0|2,0,1]=4 586 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [1,0,0,0,0,0|2,0,1]=4 587 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,0,0,0,0,0|1,0,1]=3 588 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [1,0,0,0,0,0|3,0,0]=4 589 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [1,0,0,0,0,0|2,0,0]=3 590 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,0,0,0,0,0|2,0,1]=4 591 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,0,0,0,0,0|1,0,1]=3 592 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,0,0,0,0,0|1,0,1]=3 593 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [1,0,0,0,0,0|3,0,0]=4 594 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [1,0,0,0,0,0|2,0,1]=4 595 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [1,0,0,0,0,0|2,0,1]=4 596 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,0,0,0,0,0|1,0,1]=3 597 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,0,0,0,0,0|1,0,1]=3 598 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [1,0,0,0,0,0|3,0,0]=4 599 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [1,0,0,0,0,0|2,0,0]=3 600 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [1,0,0,0,0,0|1,0,0]=2 601 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [1,0,0,0,0,0|1,0,0]=2 602 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [1,0,0,0,0,0|1,0,1]=3 603 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [1,0,0,0,0,0|1,0,1]=3 604 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [1,0,0,0,0,0|2,0,0]=3 605 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [1,0,0,0,0,0|2,0,1]=4 606 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [1,0,0,0,0,0|1,0,0]=2 607 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [1,0,0,0,0,0|1,0,0]=2 608 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [1,0,0,0,0,0|1,0,1]=3 609 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [1,0,0,0,0,0|1,0,1]=3 610 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [1,0,0,0,0,0|1,0,1]=3 611 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [1,0,0,0,0,0|2,0,0]=3 612 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [1,0,0,0,0,0|2,0,0]=3 613 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [1,0,0,0,0,0|2,0,1]=4 614 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [1,0,0,0,0,0|2,0,1]=4 615 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [1,0,0,0,0,0|1,0,0]=2 616 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [1,0,0,0,0,0|1,0,0]=2 617 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [1,0,0,0,0,0|1,0,1]=3 618 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [1,0,0,0,0,0|1,0,1]=3 619 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 620 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 621 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 622 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 623 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 624 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 625 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 626 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 627 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 628 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 629 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [1,0,0,0,0,0|2,0,0]=3 630 B12R0.1 CCCNN=CC=CC(=O)OCC 4a_100000740057_100016289910 [1,0,0,0,0,0|2,0,1]=4 631 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [1,0,0,0,0,0|1,0,1]=3 632 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [1,0,0,0,0,0|3,0,0]=4 633 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [1,0,0,0,0,0|3,0,0]=4 634 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [1,0,0,0,0,0|3,0,0]=4 635 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 636 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 637 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 638 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 639 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 640 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 641 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [1,0,0,0,0,0|2,0,1]=4 642 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [1,0,0,0,0,0|2,0,1]=4 643 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [1,0,0,0,0,0|2,0,1]=4 644 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [1,0,0,0,0,0|2,0,1]=4 645 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [1,0,0,0,0,0|2,0,1]=4 646 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [1,0,0,0,0,0|2,0,1]=4 647 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [1,0,0,0,0,0|2,0,1]=4 648 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [1,0,0,0,0,0|2,0,1]=4 649 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [1,0,0,0,0,0|1,0,1]=3 650 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [1,0,0,0,0,0|1,0,1]=3 651 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [1,0,0,0,0,0|2,0,1]=4 652 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [1,0,0,0,0,0|2,0,1]=4 653 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [1,0,0,0,0,0|2,0,1]=4 654 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [1,0,0,0,0,0|2,0,1]=4 655 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [1,0,0,0,0,0|2,0,1]=4 656 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [1,0,0,0,0,0|2,0,1]=4 657 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 658 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [1,0,0,0,0,0|3,0,0]=4 659 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 660 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [1,0,0,0,0,0|3,0,0]=4 661 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 662 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 663 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 664 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 665 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 666 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 667 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 668 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [1,0,0,0,0,0|1,0,1]=3 669 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [1,0,0,0,0,0|2,0,1]=4 670 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [1,0,0,0,0,0|2,0,0]=3 671 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [1,0,0,0,0,0|2,0,0]=3 672 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [1,0,0,0,0,0|2,0,0]=3 673 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [1,0,0,0,0,0|2,0,0]=3 674 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [1,0,0,0,0,0|2,0,0]=3 675 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [1,0,0,0,0,0|2,0,0]=3 676 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [1,0,0,0,0,0|2,0,0]=3 677 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [1,0,0,0,0,0|2,0,0]=3 678 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [1,0,0,0,0,0|2,0,0]=3 679 B12R0.1 CCOC(=O)/C=C/COCCON 34a_100000700252_100016267167 [1,0,0,0,0,0|3,0,0]=4 680 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [1,0,0,0,0,0|2,0,0]=3 681 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [1,0,0,0,0,0|2,0,0]=3 682 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100011215226_100016267167 [1,0,0,0,0,0|2,0,1]=4 683 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100016267167_100011215226 [1,0,0,0,0,0|2,0,1]=4 684 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [1,0,0,0,0,0|2,0,0]=3 685 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [1,0,0,0,0,0|2,0,0]=3 686 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [1,0,0,0,0,0|2,0,0]=3 687 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [1,0,0,0,0,0|2,0,0]=3 688 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [1,0,0,0,0,0|2,0,0]=3 689 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [1,0,0,0,0,0|2,0,0]=3 690 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [1,0,0,0,0,0|2,0,0]=3 691 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [1,0,0,0,0,0|2,0,0]=3 692 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [1,0,0,0,0,0|1,0,1]=3 693 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [1,0,0,0,0,0|1,0,1]=3 694 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [1,0,0,0,0,0|1,0,1]=3 695 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [1,0,0,0,0,0|1,0,1]=3 696 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [1,0,0,0,0,0|1,0,1]=3 697 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [1,0,0,0,0,0|1,0,1]=3 698 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [1,0,0,0,0,0|2,0,1]=4 699 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [1,0,0,0,0,0|1,0,1]=3 700 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [1,0,0,0,0,0|1,0,1]=3 701 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [1,0,0,0,0,0|2,0,1]=4 702 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [1,0,0,0,0,0|2,0,1]=4 703 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [1,0,0,0,0,0|2,0,1]=4 704 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [1,0,0,0,0,0|2,0,1]=4 705 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [1,0,0,0,0,0|2,0,1]=4 706 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [1,0,0,0,0,0|2,0,1]=4 707 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [1,0,0,0,0,0|2,0,1]=4 708 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [1,0,0,0,0,0|2,0,1]=4 709 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [1,0,0,0,0,0|2,0,1]=4 710 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [1,0,0,0,0,0|2,0,1]=4 711 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [1,0,0,0,0,0|2,0,1]=4 712 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [1,0,0,0,0,0|2,0,1]=4 713 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [1,0,0,0,0,0|2,0,1]=4 714 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [1,0,0,0,0,0|2,0,1]=4 715 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [1,0,0,0,0,0|2,0,1]=4 716 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [1,0,0,0,0,0|2,0,1]=4 717 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [1,0,0,0,0,0|2,0,1]=4 718 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [1,0,0,0,0,0|2,0,1]=4 719 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [1,0,0,0,0,0|2,0,1]=4 720 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [1,0,0,0,0,0|2,0,1]=4 721 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [1,0,0,0,0,0|2,0,1]=4 722 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [1,0,0,0,0,0|2,0,1]=4 723 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [1,0,0,0,0,0|2,0,1]=4 724 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [1,0,0,0,0,0|2,0,1]=4 725 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [1,0,0,0,0,0|2,0,1]=4 726 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [1,0,0,0,0,0|2,0,1]=4 727 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [1,0,0,0,0,0|2,0,1]=4 728 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [1,0,0,0,0,0|2,0,1]=4 729 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [1,0,0,0,0,0|2,0,1]=4 730 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [1,0,0,0,0,0|2,0,1]=4 731 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [1,0,0,0,0,0|2,0,1]=4 732 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [1,0,0,0,0,0|2,0,1]=4 733 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [1,0,0,0,0,0|2,0,1]=4 734 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [1,0,0,0,0,0|2,0,1]=4 735 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [1,0,0,0,0,0|2,0,1]=4 736 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [1,0,0,0,0,0|2,0,1]=4 737 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [1,0,0,0,0,0|2,0,1]=4 738 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [1,0,0,0,0,0|2,0,1]=4 739 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [1,0,0,0,0,0|2,0,1]=4 740 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [1,0,0,0,0,0|2,0,1]=4 741 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [1,0,0,0,0,0|2,0,1]=4 742 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [1,0,0,0,0,0|2,0,1]=4 743 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [1,0,0,0,0,0|2,0,1]=4 744 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [1,0,0,0,0,0|2,0,1]=4 745 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [1,0,0,0,0,0|2,0,1]=4 746 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [1,0,0,0,0,0|2,0,1]=4 747 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [1,0,0,0,0,0|2,0,1]=4 748 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [1,0,0,0,0,0|2,0,1]=4 749 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [1,0,0,0,0,0|2,0,1]=4 750 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [1,0,0,0,0,0|2,0,1]=4 751 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [1,0,0,0,0,0|2,0,1]=4 752 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [1,0,0,0,0,0|2,0,1]=4 753 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [1,0,0,0,0,0|2,0,1]=4 754 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [1,0,0,0,0,0|2,0,1]=4 755 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [1,0,0,0,0,0|2,0,1]=4 756 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [1,0,0,0,0,0|2,0,1]=4 757 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [1,0,0,0,0,0|2,0,1]=4 758 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [1,0,0,0,0,0|2,0,1]=4 759 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [1,0,0,0,0,0|2,0,1]=4 760 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [1,0,0,0,0,0|2,0,1]=4 761 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [1,0,0,0,0,0|2,0,1]=4 762 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [1,0,0,0,0,0|2,0,1]=4 763 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [1,0,0,0,0,0|2,0,1]=4 764 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [1,0,0,0,0,0|2,0,1]=4 765 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [1,0,0,0,0,0|2,0,1]=4 766 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [1,0,0,0,0,0|2,0,1]=4 767 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [1,0,0,0,0,0|2,0,1]=4 768 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [1,0,0,0,0,0|2,0,1]=4 769 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [1,0,0,0,0,0|2,0,1]=4 770 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [1,0,0,0,0,0|2,0,1]=4 771 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [1,0,0,0,0,0|2,0,1]=4 772 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [1,0,0,0,0,0|2,0,1]=4 773 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [1,0,0,0,0,0|2,0,1]=4 774 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [1,0,0,0,0,0|2,0,1]=4 775 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [1,0,0,0,0,0|2,0,1]=4 776 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [1,0,0,0,0,0|2,0,1]=4 777 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [1,0,0,0,0,0|2,0,1]=4 778 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [1,0,0,0,0,0|2,0,1]=4 779 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [1,0,0,0,0,0|2,0,1]=4 780 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [1,0,0,0,0,0|2,0,1]=4 781 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [1,0,0,0,0,0|2,0,1]=4 782 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [1,0,0,0,0,0|2,0,1]=4 783 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [1,0,0,0,0,0|2,0,1]=4 784 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [1,0,0,0,0,0|2,0,1]=4 785 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [1,0,0,0,0,0|2,0,1]=4 786 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [1,0,0,0,0,0|2,0,1]=4 787 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [1,0,0,0,0,0|3,0,0]=4 788 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [1,0,0,0,0,0|3,0,0]=4 789 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [1,0,0,0,0,0|3,0,0]=4 790 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [1,0,0,0,0,0|3,0,0]=4 791 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [1,0,0,0,0,0|3,0,0]=4 792 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [1,0,0,0,0,0|3,0,0]=4 793 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [1,0,0,0,0,0|3,0,0]=4 794 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [1,0,0,0,0,0|3,0,0]=4 795 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [1,0,0,0,0,0|3,0,0]=4 796 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [1,0,0,0,0,0|3,0,0]=4 797 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [1,0,0,0,0,0|3,0,0]=4 798 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [1,0,0,0,0,0|3,0,0]=4 799 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [1,0,0,0,0,0|3,0,0]=4 800 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [1,0,0,0,0,0|1,0,1]=3 801 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [1,0,0,0,0,0|1,0,1]=3 802 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [1,0,0,0,0,0|2,0,1]=4 803 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [1,0,0,0,0,0|2,0,1]=4 804 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [1,0,0,0,0,0|2,0,1]=4 805 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [1,0,0,0,0,0|2,0,1]=4 806 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [1,0,0,0,0,0|2,0,1]=4 807 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [1,0,0,0,0,0|2,0,1]=4 808 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [1,0,0,0,0,0|2,0,1]=4 809 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [1,0,0,0,0,0|2,0,1]=4 810 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [1,0,0,0,0,0|2,0,1]=4 811 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [1,0,0,0,0,0|3,0,0]=4 812 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [1,0,0,0,0,0|2,0,1]=4 813 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [1,0,0,0,0,0|2,0,1]=4 814 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [1,0,0,0,0,0|2,0,1]=4 815 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [1,0,0,0,0,0|2,0,1]=4 816 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [1,0,0,0,0,0|3,0,0]=4 817 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [1,0,0,0,0,0|2,0,0]=3 818 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [1,0,0,0,0,0|2,0,0]=3 819 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [1,0,0,0,0,0|2,0,1]=4 820 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [1,0,0,0,0,0|2,0,1]=4 821 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [1,0,0,0,0,0|3,0,0]=4 822 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [1,0,0,0,0,0|2,0,1]=4 823 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [1,0,0,0,0,0|2,0,1]=4 824 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [1,0,0,0,0,0|2,0,1]=4 825 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [1,0,0,0,0,0|2,0,1]=4 826 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [1,0,0,0,0,0|2,0,1]=4 827 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [1,0,0,0,0,0|2,0,1]=4 828 B12R0.5 CCC/C=C/C=C/COCCCC 34a_100016294078_100000210210 [1,0,0,0,0,0|2,0,1]=4 829 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [1,0,0,0,0,0|2,0,1]=4 830 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [1,0,0,0,0,0|2,0,1]=4 831 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [1,0,0,0,0,0|2,0,1]=4 832 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [1,0,0,0,0,0|2,0,1]=4 833 B12R0.5 CCCC/C=C/COCCCCC 34a_200016272032_100000718602 [1,0,0,0,0,0|2,0,1]=4 834 B12R0.5 CCCC/C=C/COCCCCC 7a_200016272032_100000210326 [1,0,0,0,0,0|2,0,1]=4 835 B12R0.5 CCCC/C=C\CCOCCCC 34a_200016286491_100000210210 [1,0,0,0,0,0|2,0,1]=4 836 B12R0.5 CCCC/C=C\CCOCCCC 7a_200016286491_100000210211 [1,0,0,0,0,0|2,0,1]=4 837 B12R0.5 CCCC=CC=NNCCCCC 4a_100000694160_100016266791 [1,0,0,0,0,0|3,0,0]=4 838 B12R0.5 CCCCC/C=C/C=C/COCC 34a_200014065772_100000210202 [1,0,0,0,0,0|0,0,3]=4 839 B12R0.5 CCCCC/C=C/C=C/COCC 7a_200014065772_100000210202 [1,0,0,0,0,0|0,0,3]=4 840 B12R0.5 CCCCCC/C=C/C=C/COC 34a_200028454808_200000210301 [1,0,0,0,0,0|2,0,1]=4 841 B12R0.5 CCCCCC/C=C/C=C/COC 7a_200028454808_200000210301 [1,0,0,0,0,0|2,0,1]=4 842 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 34a_200028454808_200025704644 [1,0,0,0,0,0|2,0,1]=4 843 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 7a_200028454808_200025704644 [1,0,0,0,0,0|2,0,1]=4 844 B12R0.5 CCCCCCC=CC=NNCC 4a_100000756455_100016264548 [1,0,0,0,0,0|2,0,1]=4 845 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [1,0,0,0,0,0|0,0,3]=4 846 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [1,0,0,0,0,0|0,0,3]=4 847 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [1,0,0,0,0,0|2,0,1]=4 848 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [1,0,0,0,0,0|2,0,1]=4 849 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [1,0,0,0,0,0|2,0,1]=4 850 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [1,0,0,0,0,0|2,0,1]=4 851 B12R0.5 CCCCCCCC=NNCCC 4a_100000740057_100000210592 [1,0,0,0,0,0|3,0,0]=4 852 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [1,0,0,0,0,0|2,0,1]=4 853 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|0,0,3]=4 854 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|0,0,3]=4 855 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|0,0,3]=4 856 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [1,0,0,0,0,0|1,0,2]=4 857 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [1,0,0,0,0,0|1,0,2]=4 858 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [1,0,0,0,0,0|1,0,2]=4 859 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [1,0,0,0,0,0|1,0,2]=4 860 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [1,0,0,0,0,0|1,0,2]=4 861 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [1,0,0,0,0,0|1,0,2]=4 862 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [1,0,0,0,0,0|1,0,2]=4 863 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [1,0,0,0,0,0|1,0,2]=4 864 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [1,0,0,0,0,0|1,0,2]=4 865 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [1,0,0,0,0,0|1,0,2]=4 866 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [1,0,0,0,0,0|1,0,2]=4 867 B12R0.248 C#CCCCNC/C=C/C(=O)OC 34a_100000718082_100000742655 [1,0,0,0,0,0|1,0,2]=4 868 B12R0.248 C#CCCCOC/C=C/C(=O)OC 34a_100000215630_100000742655 [1,0,0,0,0,0|1,0,2]=4 869 B12R0.248 C#CCCCOC/C=C/C(=O)OC 7a_100000215630_100000742655 [1,0,0,0,0,0|1,0,2]=4 870 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100000742655_100011215417 [1,0,0,0,0,0|1,0,2]=4 871 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100011215417_100000742655 [1,0,0,0,0,0|1,0,2]=4 872 B12R0.248 C/C=C/CCOC/C=C/C(=O)OC 34a_100016278192_100000742655 [1,0,0,0,0,0|1,0,2]=4 873 B12R0.248 C=CCCCNC/C=C/C(=O)OC 2230a_100000700776_100000742655 [1,0,0,0,0,0|1,0,2]=4 874 B12R0.248 C=CCCCNC/C=C/C(=O)OC 34a_100000700776_100000742655 [1,0,0,0,0,0|1,0,2]=4 875 B12R0.248 C=CCCCOC/C=C/C(=O)OC 34a_100000758997_100000742655 [1,0,0,0,0,0|1,0,2]=4 876 B12R0.248 C=CCCCOC/C=C/C(=O)OC 7a_100000758997_100000742655 [1,0,0,0,0,0|1,0,2]=4 877 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100000742655_100000757094 [1,0,0,0,0,0|1,0,2]=4 878 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100011713584_100000742655 [1,0,0,0,0,0|1,0,2]=4 879 B12R0.248 CC#CCCOC/C=C/C(=O)OC 34a_100000750427_100000742655 [1,0,0,0,0,0|1,0,2]=4 880 B12R0.248 CC/C=C\COC/C=C/C(=O)OC 34a_100016268518_100000742655 [1,0,0,0,0,0|1,0,2]=4 881 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100000742655_100103147603 [1,0,0,0,0,0|1,0,2]=4 882 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100103147603_100000742655 [1,0,0,0,0,0|1,0,2]=4 883 B12R0.248 CCC#CCOC/C=C/C(=O)OC 34a_100000032950_100000742655 [1,0,0,0,0,0|1,0,2]=4 884 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100000742655_100009813939 [1,0,0,0,0,0|1,0,2]=4 885 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100009813939_100000742655 [1,0,0,0,0,0|1,0,2]=4 886 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,0,0,0,0,0|1,0,2]=4 887 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [1,0,0,0,0,0|2,0,1]=4 888 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [1,0,0,0,0,0|2,0,1]=4 889 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [1,0,0,0,0,0|2,0,1]=4 890 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [1,0,0,0,0,0|2,0,1]=4 891 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [1,0,0,0,0,0|2,0,1]=4 892 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [1,0,0,0,0,0|2,0,1]=4 893 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [1,0,0,0,0,0|2,0,1]=4 894 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [1,0,0,0,0,0|2,0,1]=4 895 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [1,0,0,0,0,0|2,0,1]=4 896 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [1,0,0,0,0,0|2,0,1]=4 897 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [1,0,0,0,0,0|0,0,2]=3 898 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [1,0,0,0,0,0|1,0,2]=4 899 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [1,0,0,0,0,0|1,0,2]=4 900 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [1,0,0,0,0,0|1,0,2]=4 901 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [1,0,0,0,0,0|1,0,2]=4 902 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [1,0,0,0,0,0|2,0,1]=4 903 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [1,0,0,0,0,0|0,0,0]=1 904 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [1,0,0,0,0,0|1,0,0]=2 905 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [1,0,0,0,0,0|1,0,0]=2 906 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [1,0,0,0,0,0|1,0,0]=2 907 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [1,0,0,0,0,0|1,0,0]=2 908 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,0,0,0,0,0|0,0,2]=3 909 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,0,0,0,0,0|0,0,2]=3 910 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,0,0,0,0,0|1,0,2]=4 911 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,0,0,0,0,0|1,0,2]=4 912 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [1,0,0,0,0,0|1,0,2]=4 913 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [1,0,0,0,0,0|1,0,2]=4 914 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [1,0,0,0,0,0|1,0,2]=4 915 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [1,0,0,0,0,0|1,0,2]=4 916 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [1,0,0,0,0,0|1,0,1]=3 917 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [1,0,0,0,0,0|1,0,1]=3 918 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [1,0,0,0,0,0|1,0,1]=3 919 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [1,0,0,0,0,0|1,0,1]=3 920 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [1,0,0,0,0,0|2,0,1]=4 921 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [1,0,0,0,0,0|2,0,1]=4 922 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [1,0,0,0,0,0|2,0,1]=4 923 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [1,0,0,0,0,0|2,0,1]=4 924 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [1,0,0,0,0,0|2,0,1]=4 925 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [1,0,0,0,0,0|2,0,1]=4 926 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [1,0,0,0,0,0|2,0,1]=4 927 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [1,0,0,0,0,0|2,0,1]=4 928 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [1,0,0,0,0,0|2,0,1]=4 929 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [1,0,0,0,0,0|2,0,1]=4 930 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [1,0,0,0,0,0|1,0,1]=3 931 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [1,0,0,0,0,0|1,0,1]=3 932 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [1,0,0,0,0,0|1,0,1]=3 933 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [1,0,0,0,0,0|2,0,1]=4 934 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [1,0,0,0,0,0|2,0,1]=4 935 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [1,0,0,0,0,0|2,0,1]=4 936 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [1,0,0,0,0,0|1,0,1]=3 937 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [1,0,0,0,0,0|1,0,1]=3 938 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [1,0,0,0,0,0|1,0,1]=3 939 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [1,0,0,0,0,0|1,0,1]=3 940 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [1,0,0,0,0,0|2,0,1]=4 941 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [1,0,0,0,0,0|2,0,1]=4 942 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [1,0,0,0,0,0|1,0,1]=3 943 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [1,0,0,0,0,0|1,0,1]=3 944 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [1,0,0,0,0,0|1,0,2]=4 945 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [1,0,0,0,0,0|1,0,2]=4 946 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [1,0,0,0,0,0|1,0,2]=4 947 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [1,0,0,0,0,0|1,0,2]=4 948 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [1,0,0,0,0,0|1,0,2]=4 949 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [1,0,0,0,0,0|2,0,1]=4 950 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [1,0,0,0,0,0|1,0,0]=2 951 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [1,0,0,0,0,0|1,0,2]=4 952 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [1,0,0,0,0,0|2,0,1]=4 953 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [1,0,0,0,0,0|2,0,1]=4 954 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [1,0,0,0,0,0|1,0,0]=2 955 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [1,0,0,0,0,0|1,0,0]=2 956 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [1,0,0,0,0,0|1,0,2]=4 957 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [1,0,0,0,0,0|1,0,2]=4 958 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [1,0,0,0,0,0|2,0,1]=4 959 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [1,0,0,0,0,0|2,0,1]=4 960 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [1,0,0,0,0,0|2,0,1]=4 961 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [1,0,0,0,0,0|2,0,1]=4 962 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [1,0,0,0,0,0|2,0,1]=4 963 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [1,0,0,0,0,0|1,0,0]=2 964 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [1,0,0,0,0,0|1,0,0]=2 965 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [1,0,0,0,0,0|1,0,2]=4 966 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [1,0,0,0,0,0|1,0,2]=4 967 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [1,0,0,0,0,0|1,0,2]=4 968 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [1,0,0,0,0,0|1,0,2]=4 969 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [1,0,0,0,0,0|2,0,1]=4 970 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [1,0,0,0,0,0|2,0,1]=4 971 B12R0.248 CCCCNN=CC=CC(=O)OC 4a_100025702795_100016254430 [1,0,0,0,0,0|2,0,1]=4 972 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [1,0,0,0,0,0|1,0,2]=4 973 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [1,0,0,0,0,0|1,0,2]=4 974 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [1,0,0,0,0,0|1,0,2]=4 975 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [1,0,0,0,0,0|1,0,2]=4 976 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [1,0,0,0,0,0|2,0,1]=4 977 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [1,0,0,0,0,0|2,0,1]=4 978 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [1,0,0,0,0,0|2,0,1]=4 979 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [1,0,0,0,0,0|2,0,1]=4 980 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [1,0,0,0,0,0|2,0,1]=4 981 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [1,0,0,0,0,0|2,0,1]=4 982 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [1,0,0,0,0,0|2,0,1]=4 983 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [1,0,0,0,0,0|2,0,1]=4 984 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [1,0,0,0,0,0|2,0,1]=4 985 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [1,0,0,0,0,0|2,0,1]=4 986 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [1,0,0,0,0,0|2,0,1]=4 987 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [1,0,0,0,0,0|2,0,1]=4 988 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [1,0,0,0,0,0|2,0,1]=4 989 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [1,0,0,0,0,0|2,0,1]=4 990 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [1,0,0,0,0,0|1,0,2]=4 991 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [1,0,0,0,0,0|1,0,2]=4 992 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [1,0,0,0,0,0|2,0,1]=4 993 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [1,0,0,0,0,0|2,0,1]=4 994 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [1,0,0,0,0,0|2,0,1]=4 995 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [1,0,0,0,0,0|2,0,1]=4 996 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [1,0,0,0,0,0|2,0,1]=4 997 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [1,0,0,0,0,0|2,0,1]=4 998 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [1,0,0,0,0,0|1,0,2]=4 999 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [1,0,0,0,0,0|1,0,2]=4 1000 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [1,0,0,0,0,0|1,0,2]=4 1001 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [1,0,0,0,0,0|2,0,1]=4 1002 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [1,0,0,0,0,0|2,0,1]=4 1003 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [1,0,0,0,0,0|1,0,2]=4 1004 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [1,0,0,0,0,0|1,0,2]=4 1005 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [1,0,0,0,0,0|1,0,2]=4 1006 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [1,0,0,0,0,0|1,0,2]=4 1007 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [1,0,0,0,0,0|1,0,2]=4 1008 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [1,0,0,0,0,0|1,0,2]=4 1009 B12R0.248 CCOCCNC/C=C/C(=O)OC 2230a_102516460346_100000742655 [1,0,0,0,0,0|2,0,0]=3 1010 B12R0.248 CCOCCNC/C=C/C(=O)OC 34a_102516460346_100000742655 [1,0,0,0,0,0|2,0,0]=3 1011 B12R0.248 CCOCCOC/C=C/C(=O)OC 34a_100000210136_100000742655 [1,0,0,0,0,0|2,0,0]=3 1012 B12R0.248 CCOCCOC/C=C/C(=O)OC 7a_100000210136_100000742655 [1,0,0,0,0,0|2,0,0]=3 1013 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000210147_100000742655 [1,0,0,0,0,0|2,0,0]=3 1014 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215890 [1,0,0,0,0,0|2,0,0]=3 1015 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [1,0,0,0,0,0|1,0,2]=4 1016 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [1,0,0,0,0,0|1,0,2]=4 1017 B12R0.248 CCSCCNC/C=C/C(=O)OC 2230a_100000106463_100000742655 [1,0,0,0,0,0|2,0,0]=3 1018 B12R0.248 CCSCCOC/C=C/C(=O)OC 34a_100000212035_100000742655 [1,0,0,0,0,0|2,0,0]=3 1019 B12R0.248 CCSCCOC/C=C/C(=O)OC 7a_100000212035_100000742655 [1,0,0,0,0,0|2,0,0]=3 1020 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000742655_100000757381 [1,0,0,0,0,0|2,0,0]=3 1021 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000757381_100000742655 [1,0,0,0,0,0|2,0,0]=3 1022 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [1,0,0,0,0,0|1,0,2]=4 1023 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [1,0,0,0,0,0|1,0,2]=4 1024 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [1,0,0,0,0,0|1,0,2]=4 1025 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [1,0,0,0,0,0|2,0,1]=4 1026 B12R0.248 CNCCCOC/C=C/C(=O)OC 34a_100000213112_100000742655 [1,0,0,0,0,0|2,0,0]=3 1027 B12R0.248 COC(=O)/C=C/CNCCCCO 2230a_100000750430_100000742655 [1,0,0,0,0,0|2,0,0]=3 1028 B12R0.248 COC(=O)/C=C/CNCCCCO 34a_100000750430_100000742655 [1,0,0,0,0,0|2,0,0]=3 1029 B12R0.248 COC(=O)/C=C/CNCCCSC 2230a_100000749238_100000742655 [1,0,0,0,0,0|2,0,0]=3 1030 B12R0.248 COC(=O)/C=C/COCCCCBr 34a_100011216708_100000742655 [1,0,0,0,0,0|2,0,0]=3 1031 B12R0.248 COC(=O)/C=C/COCCCCCl 34a_100000210776_100000742655 [1,0,0,0,0,0|2,0,0]=3 1032 B12R0.248 COC(=O)/C=C/COCCCCCl 7a_100000210776_100000742655 [1,0,0,0,0,0|2,0,0]=3 1033 B12R0.248 COC(=O)/C=C/COCCCCF 34a_100011995726_100000742655 [1,0,0,0,0,0|2,0,0]=3 1034 B12R0.248 COC(=O)/C=C/COCCCCF 7a_100011995726_100000742655 [1,0,0,0,0,0|2,0,0]=3 1035 B12R0.248 COC(=O)/C=C/COCCCCI 34a_200012148704_100000742655 [1,0,0,0,0,0|2,0,0]=3 1036 B12R0.248 COC(=O)/C=C/COCCCCN 34a_100000750430_100000742655 [1,0,0,0,0,0|2,0,0]=3 1037 B12R0.248 COC(=O)/C=C/COCCCSC 34a_100000690336_100000742655 [1,0,0,0,0,0|2,0,0]=3 1038 B12R0.248 COC(=O)/C=C/COCCCSC 7a_100000690336_100000742655 [1,0,0,0,0,0|2,0,0]=3 1039 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000687738_100000742655 [1,0,0,0,0,0|2,0,1]=4 1040 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000742655_100000687738 [1,0,0,0,0,0|2,0,1]=4 1041 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_100000742655_200011292268 [1,0,0,0,0,0|2,0,1]=4 1042 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_200011292268_100000742655 [1,0,0,0,0,0|2,0,1]=4 1043 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000729493_100000742655 [1,0,0,0,0,0|2,0,0]=3 1044 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000742655_100000729493 [1,0,0,0,0,0|2,0,0]=3 1045 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000210776_100000742655 [1,0,0,0,0,0|2,0,0]=3 1046 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000742655_100000210776 [1,0,0,0,0,0|2,0,0]=3 1047 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [1,0,0,0,0,0|1,0,2]=4 1048 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [1,0,0,0,0,0|1,0,2]=4 1049 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [1,0,0,0,0,0|1,0,2]=4 1050 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [1,0,0,0,0,0|1,0,2]=4 1051 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [1,0,0,0,0,0|1,0,2]=4 1052 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [1,0,0,0,0,0|1,0,2]=4 1053 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [1,0,0,0,0,0|2,0,1]=4 1054 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [1,0,0,0,0,0|2,0,1]=4 1055 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [1,0,0,0,0,0|2,0,1]=4 1056 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [1,0,0,0,0,0|2,0,1]=4 1057 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [1,0,0,0,0,0|2,0,1]=4 1058 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [1,0,0,0,0,0|2,0,1]=4 1059 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [1,0,0,0,0,0|2,0,1]=4 1060 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [1,0,0,0,0,0|2,0,1]=4 1061 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [1,0,0,0,0,0|2,0,1]=4 1062 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [1,0,0,0,0,0|2,0,1]=4 1063 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [1,0,0,0,0,0|2,0,1]=4 1064 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [1,0,0,0,0,0|2,0,1]=4 1065 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [1,0,0,0,0,0|2,0,1]=4 1066 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [1,0,0,0,0,0|1,0,2]=4 1067 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [1,0,0,0,0,0|1,0,2]=4 1068 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [1,0,0,0,0,0|1,0,2]=4 1069 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [1,0,0,0,0,0|2,0,1]=4 1070 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [1,0,0,0,0,0|2,0,1]=4 1071 B12R0.248 COCCCNC/C=C/C(=O)OC 34a_100150723488_100000742655 [1,0,0,0,0,0|2,0,0]=3 1072 B12R0.248 COCCCOC/C=C/C(=O)OC 34a_100000740835_100000742655 [1,0,0,0,0,0|2,0,0]=3 1073 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000709357_100000742655 [1,0,0,0,0,0|2,0,0]=3 1074 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000742655_100000709357 [1,0,0,0,0,0|2,0,0]=3 1075 B14R0.1 C=CCC(C)COC/C=C/C(=O)OCC 34a_100009832082_100016267167 [0,1,0,0,0,0|1,0,2]=4 1076 B14R0.1 C=CCC(C)COC/C=C/C(=O)OCC 7a_100009832082_100016267167 [0,1,0,0,0,0|1,0,2]=4 1077 B14R0.1 C=CC[C@@H](N)COC/C=C/C(=O)OCC 34a_100020615467_100016267167 [0,1,0,0,0,0|1,0,2]=4 1078 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210303 [0,1,0,0,0,0|0,0,3]=4 1079 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000211992_100000755133 [0,1,0,0,0,0|0,0,3]=4 1080 B14R0.1 CCCC(=O)CCCOCC(=O)OCC 1458a_100000211992_100009893628 [0,1,0,0,0,0|1,0,2]=4 1081 B14R0.1 CCCC(=O)COCCCC(C)CCC 7a_100011713154_100000747444 [0,1,0,0,0,0|2,0,1]=4 1082 B14R0.1 CCCC(=O)CSC/C=C/C(=O)OCC 62a_100000747444_100016267167 [0,1,0,0,0,0|1,0,1]=3 1083 B14R0.1 CCCC(=O)CSC/C=C/C(=O)OCC 62a_100016267167_100000747444 [0,1,0,0,0,0|1,0,1]=3 1084 B14R0.1 CCCC(C)CCCOCC(=O)NCC 34a_100011713154_100000183381 [0,1,0,0,0,0|2,0,1]=4 1085 B14R0.1 CCCC(C)CCCOCC(=O)NCC 7a_100011713154_100000183381 [0,1,0,0,0,0|2,0,1]=4 1086 B14R0.1 CCCC(C)CCCOCC(=O)OCC 34a_100011713154_100000188475 [0,1,0,0,0,0|1,0,1]=3 1087 B14R0.1 CCCC(C)CCCOCC(=O)OCC 7a_100011713154_100000188475 [0,1,0,0,0,0|1,0,1]=3 1088 B14R0.1 CCCC(C)CCOCCC(=O)OCC 34a_100011217855_100000765890 [0,1,0,0,0,0|1,0,2]=4 1089 B14R0.1 CCCC(C)CCOCCC(=O)OCC 7a_100011217855_100011206558 [0,1,0,0,0,0|1,0,2]=4 1090 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 34a_100000688023_100016267167 [0,1,0,0,0,0|1,0,0]=2 1091 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 7a_100000688023_100016267167 [0,1,0,0,0,0|1,0,0]=2 1092 B14R0.1 CCCC(C)COCCCC(=O)OCC 34a_100000688023_100009991533 [0,1,0,0,0,0|1,0,2]=4 1093 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100000688023_100011215271 [0,1,0,0,0,0|1,0,2]=4 1094 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100012001163_100011216630 [0,1,0,0,0,0|1,0,2]=4 1095 B14R0.1 CCCC(C)COCCNC(=O)OCC 34a_100000158857_100011216630 [0,1,0,0,0,0|2,0,1]=4 1096 B14R0.1 CCCC(C)COCCNC(=O)OCC 7a_100000688023_200011445536 [0,1,0,0,0,0|2,0,1]=4 1097 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100011216630_100016267167 [0,1,0,0,0,0|1,0,0]=2 1098 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100016267167_100011216630 [0,1,0,0,0,0|1,0,0]=2 1099 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100009991533_100011216630 [0,1,0,0,0,0|1,0,2]=4 1100 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100011216630_100009991533 [0,1,0,0,0,0|1,0,2]=4 1101 B14R0.1 CCCC(C)CSCCNC(=O)OCC 62a_100011216630_200011445536 [0,1,0,0,0,0|2,0,1]=4 1102 B14R0.1 CCCC(C)NCCCCC(=O)OCC 2230a_100000741246_100000750268 [0,1,0,0,0,0|1,0,2]=4 1103 B14R0.1 CCCC(C)NCCOCC(=O)OCC 2230a_100000741246_100000088970 [0,1,0,0,0,0|2,0,1]=4 1104 B14R0.1 CCCC(C)OCCCCC(=O)OCC 34a_100000764384_100000750268 [0,1,0,0,0,0|1,0,2]=4 1105 B14R0.1 CCCC(C)OCCCCC(=O)OCC 7a_100000764384_100000750268 [0,1,0,0,0,0|1,0,2]=4 1106 B14R0.1 CCCC(C)OCCOCC(=O)OCC 34a_100000764384_100000088970 [0,1,0,0,0,0|2,0,1]=4 1107 B14R0.1 CCCC(C)OCCOCC(=O)OCC 7a_100000764384_100000088970 [0,1,0,0,0,0|2,0,1]=4 1108 B14R0.1 CCCC(C)OCCSCC(=O)OCC 7a_200000230590_100000766640 [0,1,0,0,0,0|2,0,1]=4 1109 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000750268_100000766640 [0,1,0,0,0,0|1,0,2]=4 1110 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000766640_100000750268 [0,1,0,0,0,0|1,0,2]=4 1111 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000088970_100000766640 [0,1,0,0,0,0|2,0,1]=4 1112 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000766640_100000088970 [0,1,0,0,0,0|2,0,1]=4 1113 B14R0.1 CCCN(C)CCCCCC(=O)OCC 2230a_100000747261_100000755133 [0,1,0,0,0,0|1,0,2]=4 1114 B14R0.1 CCCN(C)CCCCCC(=O)OCC 269982a_100000747261_100000755133 [0,1,0,0,0,0|1,0,2]=4 1115 B14R0.1 CCCN(C)CCCOCC(=O)OCC 2230a_100000747261_100009893628 [0,1,0,0,0,0|2,0,1]=4 1116 B14R0.1 CCCN(C)CCCOCC(=O)OCC 269982a_100000747261_100009893628 [0,1,0,0,0,0|2,0,1]=4 1117 B14R0.1 CCC[C@H](N)CCOCCC(=O)OCC 34a_100015193777_100000765890 [0,1,0,0,0,0|1,0,2]=4 1118 B14R0.1 CCC[C@H](N)COC/C=C/C(=O)OCC 34a_100000732646_100016267167 [0,1,0,0,0,0|1,0,0]=2 1119 B14R0.1 CCC[C@H](N)COCCCC(=O)OCC 34a_100000732646_100009991533 [0,1,0,0,0,0|1,0,2]=4 1120 B14R0.1 CCNC(=O)CNC/C=C/C(=O)OCC 2230a_100016988866_100016267167 [0,1,0,0,0,0|2,0,1]=4 1121 B14R0.1 CCNC(=O)CSC/C=C/C(=O)OCC 62a_100000183381_100016267167 [0,1,0,0,0,0|2,0,1]=4 1122 B14R0.1 CCNC(=O)CSC/C=C/C(=O)OCC 62a_100016267167_100000183381 [0,1,0,0,0,0|2,0,1]=4 1123 B14R0.1 CCOC(=O)/C=C/CNCC(O)COC 2230a_100000756049_100016267167 [0,1,0,0,0,0|2,0,0]=3 1124 B14R0.1 CCOC(=O)/C=C/CNCC(O)COC 34a_100000756049_100016267167 [0,1,0,0,0,0|2,0,0]=3 1125 B14R0.1 CCOC(=O)/C=C/COCC(C)CCN 34a_106354213184_100016267167 [0,1,0,0,0,0|2,0,0]=3 1126 B14R0.1 CCOC(=O)/C=C/COCC(N)COC 34a_100000724102_100016267167 [0,1,0,0,0,0|2,0,0]=3 1127 B14R0.1 CCOC(=O)/C=C/CSCC(=O)OCC 62a_100000188475_100016267167 [0,1,0,0,0,0|2,0,1]=4 1128 B14R0.1 CCOC(=O)/C=C/CSCC(=O)OCC 62a_100016267167_100000188475 [0,1,0,0,0,0|2,0,1]=4 1129 B14R0.1 CCOC(=O)/C=C/CSCC(O)COC 62a_100011215053_100016267167 [0,1,0,0,0,0|2,0,0]=3 1130 B14R0.1 CCOC(=O)/C=C/CSCC(O)COC 62a_100016267167_100011215053 [0,1,0,0,0,0|2,0,0]=3 1131 B14R0.1 CCOC(=O)/C=C/CSC[C@@H](O)CC#N 62a_100000001066_100016267167 [0,1,0,0,0,0|2,0,1]=4 1132 B14R0.1 CCOC(=O)/C=C/CSC[C@@H](O)CC#N 62a_100016267167_100000001066 [0,1,0,0,0,0|2,0,1]=4 1133 B14R0.32 CCOC(=O)/C=C/CNCCC(=O)NC 2230a_100000738227_100016267167 [0,1,0,0,0,0|2,0,1]=4 1134 B14R0.32 CCOC(=O)/C=C/CNCCC(=O)NC 34a_100000738227_100016267167 [0,1,0,0,0,0|2,0,1]=4 1135 B14R0.32 CCOC(=O)/C=C/CNCCC(C)CC 2230a_100020591266_100016267167 [0,1,0,0,0,0|1,0,0]=2 1136 B14R0.32 CCOC(=O)/C=C/CNCCC(C)CO 2230a_106354213184_100016267167 [0,1,0,0,0,0|2,0,0]=3 1137 B14R0.32 CCOC(=O)/C=C/CNCCC(C)CO 34a_106354213184_100016267167 [0,1,0,0,0,0|2,0,0]=3 1138 B14R0.32 CCOC(=O)/C=C/COCCC(=O)NC 34a_100000754576_100016267167 [0,1,0,0,0,0|2,0,1]=4 1139 B14R0.32 CCOC(=O)/C=C/COCCC(C)CC 7a_100011215188_100016267167 [0,1,0,0,0,0|1,0,0]=2 1140 B14R0.32 CCOC(=O)/C=C/COCCC(C)OC 7a_100000764861_100016267167 [0,1,0,0,0,0|2,0,0]=3 1141 B14R0.32 CCOC(=O)/C=C/CSCCC(=O)NC 62a_100000737683_100016267167 [0,1,0,0,0,0|2,0,1]=4 1142 B14R0.32 CCOC(=O)/C=C/CSCCC(=O)NC 62a_100016267167_100000737683 [0,1,0,0,0,0|2,0,1]=4 1143 B14R0.32 CCOC(=O)/C=C/CSCCC(=O)OC 62a_100000204255_100016267167 [0,1,0,0,0,0|2,0,1]=4 1144 B14R0.32 CCOC(=O)/C=C/CSCCC(=O)OC 62a_100016267167_100000204255 [0,1,0,0,0,0|2,0,1]=4 1145 B14R0.32 CCOC(=O)C=CC=NNCC(O)CC 4a_100015206393_100016289910 [0,1,0,0,0,0|2,0,1]=4 1146 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000031895_100000210202 [0,1,0,0,0,0|0,0,3]=4 1147 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000210414_100009814379 [0,1,0,0,0,0|0,0,3]=4 1148 B14R0.32 CCOC(=O)CCCCCCN(C)CC 2230a_100000225621_100009814379 [0,1,0,0,0,0|1,0,2]=4 1149 B14R0.32 CCOC(=O)CCCCCCN(C)CC 269982a_100000225621_100009814379 [0,1,0,0,0,0|1,0,2]=4 1150 B14R0.32 CCOC(=O)CCCCCNC(C)CC 2230a_100000209981_100000755133 [0,1,0,0,0,0|1,0,2]=4 1151 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100000210228_100000755133 [0,1,0,0,0,0|1,0,2]=4 1152 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100011214988_100000758301 [0,1,0,0,0,0|1,0,2]=4 1153 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000755133_100000758301 [0,1,0,0,0,0|1,0,2]=4 1154 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000758301_100000755133 [0,1,0,0,0,0|1,0,2]=4 1155 B14R0.32 CCOC(=O)CCCCNCC(C)CC 2230a_100020588543_100000750268 [0,1,0,0,0,0|1,0,2]=4 1156 B14R0.32 CCOC(=O)CCCCNCC(O)CC 2230a_100011218483_100000750268 [0,1,0,0,0,0|1,0,2]=4 1157 B14R0.32 CCOC(=O)CCCCOC[C@@H](C)CC 7a_100009816381_100000750268 [0,1,0,0,0,0|1,0,2]=4 1158 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000748023_100000750268 [0,1,0,0,0,0|1,0,2]=4 1159 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000750268_100000748023 [0,1,0,0,0,0|1,0,2]=4 1160 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100000750268_100011218378 [0,1,0,0,0,0|1,0,2]=4 1161 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100011218378_100000750268 [0,1,0,0,0,0|1,0,2]=4 1162 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100000750268_100009816398 [0,1,0,0,0,0|1,0,2]=4 1163 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100009816398_100000750268 [0,1,0,0,0,0|1,0,2]=4 1164 B14R0.32 CCOC(=O)CCCNCCC(C)CC 2230a_100020591266_100009991533 [0,1,0,0,0,0|1,0,2]=4 1165 B14R0.32 CCOC(=O)CCCOCCC(C)CC 7a_100011215188_100011215271 [0,1,0,0,0,0|1,0,2]=4 1166 B14R0.32 CCOC(=O)CCOCCCC(C)CC 7a_100011216074_100011206558 [0,1,0,0,0,0|1,0,2]=4 1167 B14R0.32 CCOC(=O)COCCCNC(C)CC 2230a_100000209981_100009893628 [0,1,0,0,0,0|2,0,1]=4 1168 B14R0.32 CCOC(=O)COCCCOC(C)CC 7a_100000210228_100009893628 [0,1,0,0,0,0|2,0,1]=4 1169 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100000758301_100009893628 [0,1,0,0,0,0|2,0,1]=4 1170 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100009893628_100000758301 [0,1,0,0,0,0|2,0,1]=4 1171 B14R0.32 CCOC(=O)COCCNCC(C)CC 2230a_100020588543_100000088970 [0,1,0,0,0,0|2,0,1]=4 1172 B14R0.32 CCOC(=O)COCCNCC(O)CC 2230a_100011218483_100000088970 [0,1,0,0,0,0|2,0,1]=4 1173 B14R0.32 CCOC(=O)COCCOC[C@@H](C)CC 7a_100009816381_100000088970 [0,1,0,0,0,0|2,0,1]=4 1174 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000088970_100000748023 [0,1,0,0,0,0|2,0,1]=4 1175 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000748023_100000088970 [0,1,0,0,0,0|2,0,1]=4 1176 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100000088970_100011218378 [0,1,0,0,0,0|2,0,1]=4 1177 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100011218378_100000088970 [0,1,0,0,0,0|2,0,1]=4 1178 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100000088970_100009816398 [0,1,0,0,0,0|2,0,1]=4 1179 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100009816398_100000088970 [0,1,0,0,0,0|2,0,1]=4 1180 B14R0.32 CCOC(=O)CSCCOCC(C)CC 7a_200000230590_100000748023 [0,1,0,0,0,0|2,0,1]=4 1181 B14R0.32 CCOC(=O)CSCCOCC(O)CC 7a_200000230590_100011218378 [0,1,0,0,0,0|2,0,1]=4 1182 B14R0.32 CCOC(=O)CSCCOC[C@@H](C)CC 7a_200000230590_100009816398 [0,1,0,0,0,0|2,0,1]=4 1183 B14R0.32 CCOC(=O)NCCOCCC(C)CC 7a_100011215188_200011445536 [0,1,0,0,0,0|2,0,1]=4 1184 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100012094781 [0,1,0,0,0,0|0,0,3]=4 1185 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000694772_100000188475 [0,1,0,0,0,0|0,0,3]=4 1186 B14R0.73 C#CCCCNCC(=CC(=O)OCC)C 34a_100000718082_100135422193 [0,1,0,0,0,0|1,0,2]=4 1187 B14R0.73 C#CCCCOCC(=CC(=O)OCC)C 34a_100000215630_100135422193 [0,1,0,0,0,0|1,0,2]=4 1188 B14R0.73 C#CCCCOCC(=CC(=O)OCC)C 7a_100000215630_100135422193 [0,1,0,0,0,0|1,0,2]=4 1189 B14R0.73 C#CCCCSCC(=CC(=O)OCC)C 62a_100011215417_100135422193 [0,1,0,0,0,0|1,0,2]=4 1190 B14R0.73 C#CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100011215417 [0,1,0,0,0,0|1,0,2]=4 1191 B14R0.73 C/C=C/CCOCC(=CC(=O)OCC)C 34a_100016278192_100135422193 [0,1,0,0,0,0|1,0,2]=4 1192 B14R0.73 C=C(CCC)CC(=O)CCCCCCC 1458a_100000138376_100000210614 [0,1,0,0,0,0|2,0,1]=4 1193 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000700193 [0,1,0,0,0,0|0,0,3]=4 1194 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100011934241_100000188475 [0,1,0,0,0,0|0,0,3]=4 1195 B14R0.73 C=CCCCNCC(=CC(=O)OCC)C 2230a_100000700776_100135422193 [0,1,0,0,0,0|1,0,2]=4 1196 B14R0.73 C=CCCCNCC(=CC(=O)OCC)C 34a_100000700776_100135422193 [0,1,0,0,0,0|1,0,2]=4 1197 B14R0.73 C=CCCCOCC(=CC(=O)OCC)C 34a_100000758997_100135422193 [0,1,0,0,0,0|1,0,2]=4 1198 B14R0.73 C=CCCCOCC(=CC(=O)OCC)C 7a_100000758997_100135422193 [0,1,0,0,0,0|1,0,2]=4 1199 B14R0.73 C=CCCCSCC(=CC(=O)OCC)C 62a_100011713584_100135422193 [0,1,0,0,0,0|1,0,2]=4 1200 B14R0.73 C=CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000757094 [0,1,0,0,0,0|1,0,2]=4 1201 B14R0.73 C=COC(=O)CC(=O)CCCCCCC 1458a_100000211969_100000036128 [0,1,0,0,0,0|0,0,3]=4 1202 B14R0.73 CC#CCCOCC(=CC(=O)OCC)C 34a_100000750427_100135422193 [0,1,0,0,0,0|1,0,2]=4 1203 B14R0.73 CC/C=C\COCC(=CC(=O)OCC)C 34a_100016268518_100135422193 [0,1,0,0,0,0|1,0,2]=4 1204 B14R0.73 CC/C=C\CSCC(=CC(=O)OCC)C 62a_100103147603_100135422193 [0,1,0,0,0,0|1,0,2]=4 1205 B14R0.73 CC/C=C\CSCC(=CC(=O)OCC)C 62a_100135422193_100103147603 [0,1,0,0,0,0|1,0,2]=4 1206 B14R0.73 CCC#CCOCC(=CC(=O)OCC)C 34a_100000032950_100135422193 [0,1,0,0,0,0|1,0,2]=4 1207 B14R0.73 CCC#CCSCC(=CC(=O)OCC)C 62a_100009813939_100135422193 [0,1,0,0,0,0|1,0,2]=4 1208 B14R0.73 CCC#CCSCC(=CC(=O)OCC)C 62a_100135422193_100009813939 [0,1,0,0,0,0|1,0,2]=4 1209 B14R0.73 CCCC(=CC(=O)CCCCCCF)C 1458a_100020676950_100015922095 [0,1,0,0,0,0|3,0,0]=4 1210 B14R0.73 CCCC(=CC(=O)CCCCCCO)C 1458a_100020676950_100000766143 [0,1,0,0,0,0|3,0,0]=4 1211 B14R0.73 CCCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747444 [0,1,0,0,0,0|2,0,1]=4 1212 B14R0.73 CCCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747444 [0,1,0,0,0,0|2,0,1]=4 1213 B14R0.73 CCCC/C=C/CC(=O)CC(=O)OCC 1458a_200016282684_100000188475 [0,1,0,0,0,0|0,0,3]=4 1214 B14R0.73 CCCCCC#CC(=O)CC(=O)OCC 1458a_100011215388_100000188475 [0,1,0,0,0,0|0,0,3]=4 1215 B14R0.73 CCCCCC=CC(=O)CC(=O)OCC 1458a_100016263427_100000188475 [0,1,0,0,0,0|0,0,3]=4 1216 B14R0.73 CCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210614 [0,1,0,0,0,0|2,0,0]=3 1217 B14R0.73 CCCCCCCC(=O)CC(=O)CCC 1458a_100000211969_100000747444 [0,1,0,0,0,0|1,0,1]=3 1218 B14R0.73 CCCCCCCC(=O)CC(=O)NCC 1458a_100000211969_100000183381 [0,1,0,0,0,0|1,0,1]=3 1219 B14R0.73 CCCCCCCC(=O)CC(=O)NCO 1458a_100000211969_100000185155 [0,1,0,0,0,0|2,0,1]=4 1220 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,1,0,0,0,0|0,0,1]=2 1221 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,1,0,0,0,0|0,0,1]=2 1222 B14R0.73 CCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210614 [0,1,0,0,0,0|2,0,1]=4 1223 B14R0.73 CCCCCCCC(O)CC(=O)CCC 1458a_200011667753_100000210303 [0,1,0,0,0,0|1,0,2]=4 1224 B14R0.73 CCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200011667753 [0,1,0,0,0,0|1,0,2]=4 1225 B14R0.73 CCCCCCCN(C)CC(=O)CCC 2230a_100000228206_100000747444 [0,1,0,0,0,0|2,0,1]=4 1226 B14R0.73 CCCCCCCN(C)CC(=O)CCC 269982a_100000228206_100000747444 [0,1,0,0,0,0|2,0,1]=4 1227 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000228206_100000183381 [0,1,0,0,0,0|2,0,1]=4 1228 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210681 [0,1,0,0,0,0|2,0,1]=4 1229 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000228206_100000183381 [0,1,0,0,0,0|2,0,1]=4 1230 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210681 [0,1,0,0,0,0|2,0,1]=4 1231 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210681 [0,1,0,0,0,0|1,0,1]=3 1232 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000228206_100000188475 [0,1,0,0,0,0|1,0,1]=3 1233 B14R0.73 CCCCCCCN(C)CC(=O)OCC 269982a_100000228206_100000188475 [0,1,0,0,0,0|1,0,1]=3 1234 B14R0.73 CCCCCCNC(=O)C=C(C)CCC 11a_100000210581_100020676950 [0,1,0,0,0,0|3,0,0]=4 1235 B14R0.73 CCCCCCNC(=O)C=C(C)CCC 1626a_100000210581_100020676950 [0,1,0,0,0,0|3,0,0]=4 1236 B14R0.73 CCCCCCNC(=O)C=C(C)CCC 240690a_100000210581_100020676950 [0,1,0,0,0,0|3,0,0]=4 1237 B14R0.73 CCCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230325 [0,1,0,0,0,0|2,0,1]=4 1238 B14R0.73 CCCCCCNC(=O)CC(=O)OCC 240690a_100000210581_100000243816 [0,1,0,0,0,0|1,0,1]=3 1239 B14R0.73 CCCCCCNC(C)CC(=O)OCC 2230a_100000210581_100009817359 [0,1,0,0,0,0|1,0,2]=4 1240 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,1,0,0,0,0|1,0,2]=4 1241 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,1,0,0,0,0|1,0,2]=4 1242 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100000210314_100009817359 [0,1,0,0,0,0|1,0,2]=4 1243 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210757 [0,1,0,0,0,0|1,0,2]=4 1244 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,1,0,0,0,0|2,0,1]=4 1245 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,1,0,0,0,0|2,0,1]=4 1246 B14R0.73 CCCCCNCC(=CC(=O)OCC)C 2230a_100000209983_100135422193 [0,1,0,0,0,0|1,0,0]=2 1247 B14R0.73 CCCCCNCC(=O)NC(=O)NCC 2230a_100000209983_100000183762 [0,1,0,0,0,0|3,0,0]=4 1248 B14R0.73 CCCCCNNC(=O)CC(=O)OCC 22a_100000694160_100000243816 [0,1,0,0,0,0|2,0,1]=4 1249 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 34a_100000210253_100135422193 [0,1,0,0,0,0|1,0,0]=2 1250 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 7a_100000210253_100135422193 [0,1,0,0,0,0|1,0,0]=2 1251 B14R0.73 CCCCCOCC(=O)NC(=O)NCC 7a_100000210253_100000183762 [0,1,0,0,0,0|3,0,0]=4 1252 B14R0.73 CCCCCOCC(=O)NC(=O)OCC 7a_100000210253_100000010344 [0,1,0,0,0,0|2,0,0]=3 1253 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,1,0,0,0,0|1,0,2]=4 1254 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,1,0,0,0,0|1,0,2]=4 1255 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100000210326_100135422193 [0,1,0,0,0,0|1,0,0]=2 1256 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210326 [0,1,0,0,0,0|1,0,0]=2 1257 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210326 [0,1,0,0,0,0|1,0,1]=3 1258 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210326_100000210311 [0,1,0,0,0,0|1,0,1]=3 1259 B14R0.73 CCCCCSCC(=O)NC(=O)NCC 62a_100000210326_100000183762 [0,1,0,0,0,0|3,0,0]=4 1260 B14R0.73 CCCCCSCC(=O)NC(=O)OCC 62a_100000210326_100000010344 [0,1,0,0,0,0|2,0,0]=3 1261 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210326_100000688340 [0,1,0,0,0,0|1,0,2]=4 1262 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210326 [0,1,0,0,0,0|1,0,2]=4 1263 B14R0.73 CCCCNN=C/C(=C/C(=O)OCC)/C 4a_100025702795_200016988100 [0,1,0,0,0,0|2,0,1]=4 1264 B14R0.73 CCCCOCCC(=O)C=C(C)CCC 1458a_100020676950_100000743108 [0,1,0,0,0,0|3,0,0]=4 1265 B14R0.73 CCCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100000743108 [0,1,0,0,0,0|1,0,1]=3 1266 B14R0.73 CCCCOCCN(C)CC(=O)OCC 2230a_100000220588_100000743108 [0,1,0,0,0,0|2,0,1]=4 1267 B14R0.73 CCCOCCNC(=O)CC(=O)OCC 240690a_100161115042_100000243816 [0,1,0,0,0,0|2,0,1]=4 1268 B14R0.73 CCCSCCNC(=O)CC(=O)OCC 240690a_100020603323_100000243816 [0,1,0,0,0,0|2,0,1]=4 1269 B14R0.73 CCNC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000183381 [0,1,0,0,0,0|2,0,1]=4 1270 B14R0.73 CCNC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000183381 [0,1,0,0,0,0|2,0,1]=4 1271 B14R0.73 CCOC(=O)C=C(C)CNCCCCO 2230a_100000750430_100135422193 [0,1,0,0,0,0|2,0,0]=3 1272 B14R0.73 CCOC(=O)C=C(C)CNCCCCO 34a_100000750430_100135422193 [0,1,0,0,0,0|2,0,0]=3 1273 B14R0.73 CCOC(=O)C=C(C)CNCCCOC 34a_100150723488_100135422193 [0,1,0,0,0,0|2,0,0]=3 1274 B14R0.73 CCOC(=O)C=C(C)CNCCCSC 2230a_100000749238_100135422193 [0,1,0,0,0,0|2,0,0]=3 1275 B14R0.73 CCOC(=O)C=C(C)CNCCSCC 2230a_100000106463_100135422193 [0,1,0,0,0,0|2,0,0]=3 1276 B14R0.73 CCOC(=O)C=C(C)COCCCCBr 34a_100011216708_100135422193 [0,1,0,0,0,0|2,0,0]=3 1277 B14R0.73 CCOC(=O)C=C(C)COCCCCCl 34a_100000210776_100135422193 [0,1,0,0,0,0|2,0,0]=3 1278 B14R0.73 CCOC(=O)C=C(C)COCCCCCl 7a_100000210776_100135422193 [0,1,0,0,0,0|2,0,0]=3 1279 B14R0.73 CCOC(=O)C=C(C)COCCCCF 34a_100011995726_100135422193 [0,1,0,0,0,0|2,0,0]=3 1280 B14R0.73 CCOC(=O)C=C(C)COCCCCF 7a_100011995726_100135422193 [0,1,0,0,0,0|2,0,0]=3 1281 B14R0.73 CCOC(=O)C=C(C)COCCCCI 34a_200012148704_100135422193 [0,1,0,0,0,0|2,0,0]=3 1282 B14R0.73 CCOC(=O)C=C(C)COCCCCN 34a_100000750430_100135422193 [0,1,0,0,0,0|2,0,0]=3 1283 B14R0.73 CCOC(=O)C=C(C)COCCCNC 34a_100000213112_100135422193 [0,1,0,0,0,0|2,0,0]=3 1284 B14R0.73 CCOC(=O)C=C(C)COCCCOC 34a_100000740835_100135422193 [0,1,0,0,0,0|2,0,0]=3 1285 B14R0.73 CCOC(=O)C=C(C)COCCCSC 34a_100000690336_100135422193 [0,1,0,0,0,0|2,0,0]=3 1286 B14R0.73 CCOC(=O)C=C(C)COCCCSC 7a_100000690336_100135422193 [0,1,0,0,0,0|2,0,0]=3 1287 B14R0.73 CCOC(=O)C=C(C)COCCSCC 34a_100000212035_100135422193 [0,1,0,0,0,0|2,0,0]=3 1288 B14R0.73 CCOC(=O)C=C(C)COCCSCC 7a_100000212035_100135422193 [0,1,0,0,0,0|2,0,0]=3 1289 B14R0.73 CCOC(=O)C=C(C)CSCCCC#N 62a_100000687738_100135422193 [0,1,0,0,0,0|2,0,1]=4 1290 B14R0.73 CCOC(=O)C=C(C)CSCCCC#N 62a_100135422193_100000687738 [0,1,0,0,0,0|2,0,1]=4 1291 B14R0.73 CCOC(=O)C=C(C)CSCCCC=O 62a_100135422193_200011292268 [0,1,0,0,0,0|2,0,1]=4 1292 B14R0.73 CCOC(=O)C=C(C)CSCCCC=O 62a_200011292268_100135422193 [0,1,0,0,0,0|2,0,1]=4 1293 B14R0.73 CCOC(=O)C=C(C)CSCCCCF 62a_100000729493_100135422193 [0,1,0,0,0,0|2,0,0]=3 1294 B14R0.73 CCOC(=O)C=C(C)CSCCCCF 62a_100135422193_100000729493 [0,1,0,0,0,0|2,0,0]=3 1295 B14R0.73 CCOC(=O)C=C(C)CSCCCCO 62a_100000210776_100135422193 [0,1,0,0,0,0|2,0,0]=3 1296 B14R0.73 CCOC(=O)C=C(C)CSCCCCO 62a_100135422193_100000210776 [0,1,0,0,0,0|2,0,0]=3 1297 B14R0.73 CCOC(=O)C=C(C)CSCCCOC 62a_100000709357_100135422193 [0,1,0,0,0,0|2,0,0]=3 1298 B14R0.73 CCOC(=O)C=C(C)CSCCCOC 62a_100135422193_100000709357 [0,1,0,0,0,0|2,0,0]=3 1299 B14R0.73 CCOC(=O)C=C(C)CSCCSCC 62a_100000757381_100135422193 [0,1,0,0,0,0|2,0,0]=3 1300 B14R0.73 CCOC(=O)C=C(C)CSCCSCC 62a_100135422193_100000757381 [0,1,0,0,0,0|2,0,0]=3 1301 B14R0.73 CCOC(=O)CC(=O)CCCCCC#N 1458a_100000243816_100009813376 [0,1,0,0,0,0|1,0,2]=4 1302 B14R0.73 CCOC(=O)CC(=O)CCCCCCF 1458a_100000243816_100015922095 [0,1,0,0,0,0|1,0,1]=3 1303 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100000243816_100000766143 [0,1,0,0,0,0|1,0,1]=3 1304 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000188475 [0,1,0,0,0,0|1,0,1]=3 1305 B14R0.73 CCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000188475 [0,1,0,0,0,0|1,0,1]=3 1306 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000243816_100000695917 [0,1,0,0,0,0|2,0,1]=4 1307 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000745395_100000188475 [0,1,0,0,0,0|2,0,1]=4 1308 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000210311_100000729493 [0,1,0,0,0,0|2,0,1]=4 1309 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000729493_100000210311 [0,1,0,0,0,0|2,0,1]=4 1310 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210311_100000210776 [0,1,0,0,0,0|2,0,1]=4 1311 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210776_100000210311 [0,1,0,0,0,0|2,0,1]=4 1312 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000210311_100000709357 [0,1,0,0,0,0|2,0,1]=4 1313 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000709357_100000210311 [0,1,0,0,0,0|2,0,1]=4 1314 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000210311_100000757381 [0,1,0,0,0,0|2,0,1]=4 1315 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000757381_100000210311 [0,1,0,0,0,0|2,0,1]=4 1316 B14R0.73 CCOC(=O)CC(=O)NCCCCCO 240690a_100000762737_100000243816 [0,1,0,0,0,0|2,0,1]=4 1317 B14R0.73 CCOC(=O)CN(C)CCCCCCF 2230a_100000220588_100015922095 [0,1,0,0,0,0|2,0,1]=4 1318 B14R0.73 CCOC(=O)CN(C)CCCCCCO 2230a_100000220588_100000766143 [0,1,0,0,0,0|2,0,1]=4 1319 B14R0.73 CCOC(=O)NC(=O)COCCCCCl 7a_100000210776_100000010344 [0,1,0,0,0,0|3,0,0]=4 1320 B14R0.73 CCOC(=O)NC(=O)COCCCCF 7a_100011995726_100000010344 [0,1,0,0,0,0|3,0,0]=4 1321 B14R0.73 CCOC(=O)NC(=O)COCCCSC 7a_100000690336_100000010344 [0,1,0,0,0,0|3,0,0]=4 1322 B14R0.73 CCOC(=O)NC(=O)COCCSCC 7a_100000212035_100000010344 [0,1,0,0,0,0|3,0,0]=4 1323 B14R0.73 CCOC(=O)NC(=O)CSCCCCF 62a_100000729493_100000010344 [0,1,0,0,0,0|3,0,0]=4 1324 B14R0.73 CCOC(=O)NC(=O)CSCCCCO 62a_100000210776_100000010344 [0,1,0,0,0,0|3,0,0]=4 1325 B14R0.73 CCOC(=O)NC(=O)CSCCCOC 62a_100000709357_100000010344 [0,1,0,0,0,0|3,0,0]=4 1326 B14R0.73 CCOC(=O)NC(=O)CSCCSCC 62a_100000757381_100000010344 [0,1,0,0,0,0|3,0,0]=4 1327 B14R0.73 CCOCCCNC(=O)CC(=O)OCC 240690a_100000210961_100000243816 [0,1,0,0,0,0|2,0,1]=4 1328 B14R0.73 CCOCCNCC(=CC(=O)OCC)C 2230a_102516460346_100135422193 [0,1,0,0,0,0|2,0,0]=3 1329 B14R0.73 CCOCCNCC(=CC(=O)OCC)C 34a_102516460346_100135422193 [0,1,0,0,0,0|2,0,0]=3 1330 B14R0.73 CCOCCOCC(=CC(=O)OCC)C 34a_100000210136_100135422193 [0,1,0,0,0,0|2,0,0]=3 1331 B14R0.73 CCOCCOCC(=CC(=O)OCC)C 7a_100000210136_100135422193 [0,1,0,0,0,0|2,0,0]=3 1332 B14R0.73 CCOCCOCC(=O)NC(=O)OCC 7a_100000210136_100000010344 [0,1,0,0,0,0|3,0,0]=4 1333 B14R0.73 CCOCCSCC(=CC(=O)OCC)C 62a_100000210147_100135422193 [0,1,0,0,0,0|2,0,0]=3 1334 B14R0.73 CCOCCSCC(=CC(=O)OCC)C 62a_100135422193_100011215890 [0,1,0,0,0,0|2,0,0]=3 1335 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210147_100000210311 [0,1,0,0,0,0|2,0,1]=4 1336 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215890 [0,1,0,0,0,0|2,0,1]=4 1337 B14R0.73 CCOCCSCC(=O)NC(=O)OCC 62a_100000210147_100000010344 [0,1,0,0,0,0|3,0,0]=4 1338 B14R0.83 C=C(CNCCCCCO)C(=O)OCC 34a_100000762737_100000755967 [0,1,0,0,0,0|2,0,1]=4 1339 B14R0.83 C=C(CNCCCOCC)C(=O)OCC 34a_100000210961_100000755967 [0,1,0,0,0,0|2,0,1]=4 1340 B14R0.83 C=C(CNCCOCCC)C(=O)OCC 34a_100161115042_100000755967 [0,1,0,0,0,0|2,0,1]=4 1341 B14R0.83 C=C(COCCCCCBr)C(=O)OCC 34a_100000746331_100000755967 [0,1,0,0,0,0|2,0,1]=4 1342 B14R0.83 C=C(COCCCCCBr)C(=O)OCC 7a_100000746331_100000755967 [0,1,0,0,0,0|2,0,1]=4 1343 B14R0.83 C=C(COCCCCCC)C(=O)OCC 34a_100000210259_100000755967 [0,1,0,0,0,0|1,0,1]=3 1344 B14R0.83 C=C(COCCCCCC)C(=O)OCC 7a_100000210259_100000755967 [0,1,0,0,0,0|1,0,1]=3 1345 B14R0.83 C=C(COCCCCCCl)C(=O)OCC 34a_100000746330_100000755967 [0,1,0,0,0,0|2,0,1]=4 1346 B14R0.83 C=C(COCCCCCCl)C(=O)OCC 7a_100000746330_100000755967 [0,1,0,0,0,0|2,0,1]=4 1347 B14R0.83 C=C(COCCCCCI)C(=O)OCC 34a_200012148887_100000755967 [0,1,0,0,0,0|2,0,1]=4 1348 B14R0.83 C=C(COCCCCCI)C(=O)OCC 7a_200012148887_100000755967 [0,1,0,0,0,0|2,0,1]=4 1349 B14R0.83 C=C(COCCCCCN)C(=O)OCC 34a_100000762737_100000755967 [0,1,0,0,0,0|2,0,1]=4 1350 B14R0.83 C=C(COCCCCOC)C(=O)OCC 34a_100000740925_100000755967 [0,1,0,0,0,0|2,0,1]=4 1351 B14R0.83 C=C(COCCCCSC)C(=O)OCC 34a_100011217163_100000755967 [0,1,0,0,0,0|2,0,1]=4 1352 B14R0.83 C=C(COCCCCSC)C(=O)OCC 7a_100011217163_100000755967 [0,1,0,0,0,0|2,0,1]=4 1353 B14R0.83 C=C(COCCCOCC)C(=O)OCC 34a_100000757476_100000755967 [0,1,0,0,0,0|2,0,1]=4 1354 B14R0.83 C=C(COCCCOCC)C(=O)OCC 7a_100000757476_100000755967 [0,1,0,0,0,0|2,0,1]=4 1355 B14R0.83 C=C(COCCCSCC)C(=O)OCC 34a_100011216438_100000755967 [0,1,0,0,0,0|2,0,1]=4 1356 B14R0.83 C=C(COCCCSCC)C(=O)OCC 7a_100011216438_100000755967 [0,1,0,0,0,0|2,0,1]=4 1357 B14R0.83 C=C(COCCOCCC)C(=O)OCC 34a_100000752267_100000755967 [0,1,0,0,0,0|2,0,1]=4 1358 B14R0.83 C=C(COCCOCCC)C(=O)OCC 7a_100000752267_100000755967 [0,1,0,0,0,0|2,0,1]=4 1359 B14R0.83 C=C(COCCSCCC)C(=O)OCC 34a_200000230433_100000755967 [0,1,0,0,0,0|2,0,1]=4 1360 B14R0.83 C=C(COCCSCCC)C(=O)OCC 7a_200000230433_100000755967 [0,1,0,0,0,0|2,0,1]=4 1361 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000210314_100000755967 [0,1,0,0,0,0|1,0,1]=3 1362 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000755967_100000210757 [0,1,0,0,0,0|1,0,1]=3 1363 B14R0.83 C=C(CSCCCCCF)C(=O)OCC 62a_100000729378_100000755967 [0,1,0,0,0,0|2,0,1]=4 1364 B14R0.83 C=C(CSCCCCCF)C(=O)OCC 62a_100000755967_100000729378 [0,1,0,0,0,0|2,0,1]=4 1365 B14R0.83 C=C(CSCCCCCO)C(=O)OCC 62a_100000746330_100000755967 [0,1,0,0,0,0|2,0,1]=4 1366 B14R0.83 C=C(CSCCCCCO)C(=O)OCC 62a_100000755967_100000746330 [0,1,0,0,0,0|2,0,1]=4 1367 B14R0.83 C=C(CSCCCCOC)C(=O)OCC 62a_100000730899_100000755967 [0,1,0,0,0,0|2,0,1]=4 1368 B14R0.83 C=C(CSCCCCOC)C(=O)OCC 62a_100000755967_100000730899 [0,1,0,0,0,0|2,0,1]=4 1369 B14R0.83 C=C(CSCCCOCC)C(=O)OCC 62a_100000755967_100012232248 [0,1,0,0,0,0|2,0,1]=4 1370 B14R0.83 C=C(CSCCCOCC)C(=O)OCC 62a_100012232248_100000755967 [0,1,0,0,0,0|2,0,1]=4 1371 B14R0.83 C=C(CSCCOCCC)C(=O)OCC 62a_100000755967_100011215938 [0,1,0,0,0,0|2,0,1]=4 1372 B14R0.83 C=C(CSCCOCCC)C(=O)OCC 62a_100011215938_100000755967 [0,1,0,0,0,0|2,0,1]=4 1373 B14R0.83 C=C(CSCOCCCC)C(=O)OCC 62a_100000755967_100011995733 [0,1,0,0,0,0|2,0,1]=4 1374 B14R0.83 C=C(CSCOCCCC)C(=O)OCC 62a_100011995733_100000755967 [0,1,0,0,0,0|2,0,1]=4 1375 B14R0.83 CC/C=C(\C)/C(=O)CCCCCCCC 1458a_100016988807_100000210759 [0,1,0,0,0,0|2,0,1]=4 1376 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 11a_100000229938_100016988807 [0,1,0,0,0,0|3,0,0]=4 1377 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 1626a_100000229938_100016988807 [0,1,0,0,0,0|3,0,0]=4 1378 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 240690a_100000229938_100016988807 [0,1,0,0,0,0|3,0,0]=4 1379 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 527a_100000229938_100016988807 [0,1,0,0,0,0|3,0,0]=4 1380 B14R0.83 CCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210759 [0,1,0,0,0,0|1,0,1]=3 1381 B14R0.83 CCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210759 [0,1,0,0,0,0|1,0,2]=4 1382 B14R0.83 CCCCCCCCC(O)C(=O)CCC 1458a_200011995895_100000210303 [0,1,0,0,0,0|1,0,2]=4 1383 B14R0.83 CCCCCCCCC(O)C(=O)NCC 240690a_100015525214_200011995895 [0,1,0,0,0,0|1,0,2]=4 1384 B14R0.83 CCCCCCCCN(C)C(=O)CCC 11a_100000207567_100000211992 [0,1,0,0,0,0|2,0,1]=4 1385 B14R0.83 CCCCCCCCN(C)C(=O)CCC 1626a_100000207567_100000211992 [0,1,0,0,0,0|2,0,1]=4 1386 B14R0.83 CCCCCCCCN(C)C(=O)CCC 240690a_100000207567_100000211992 [0,1,0,0,0,0|2,0,1]=4 1387 B14R0.83 CCCCCCCCN(C)C(=O)CCC 527a_100000207567_100000211992 [0,1,0,0,0,0|2,0,1]=4 1388 B14R0.83 CCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000207567 [0,1,0,0,0,0|2,0,1]=4 1389 B14R0.83 CCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000207567 [0,1,0,0,0,0|2,0,1]=4 1390 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 1626a_100000229938_200011297158 [0,1,0,0,0,0|2,0,0]=3 1391 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 240690a_100000229938_200011297158 [0,1,0,0,0,0|2,0,0]=3 1392 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 527a_100000229938_200011297158 [0,1,0,0,0,0|2,0,0]=3 1393 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 11a_100000229938_100014798877 [0,1,0,0,0,0|1,0,0]=2 1394 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 1626a_100000229938_100014798877 [0,1,0,0,0,0|1,0,0]=2 1395 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 240690a_100000229938_100014798877 [0,1,0,0,0,0|1,0,0]=2 1396 B14R0.83 CCCCCCCNC(=O)C(C)OCC 11a_100000229938_100000739345 [0,1,0,0,0,0|2,0,1]=4 1397 B14R0.83 CCCCCCCNC(=O)C(C)OCC 1626a_100000229938_100000739345 [0,1,0,0,0,0|2,0,1]=4 1398 B14R0.83 CCCCCCCNC(=O)C(C)OCC 240690a_100000229938_100000739345 [0,1,0,0,0,0|2,0,1]=4 1399 B14R0.83 CCCCCCCNC(=O)C(C)OCC 527a_100000229938_100000739345 [0,1,0,0,0,0|2,0,1]=4 1400 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000229938_100000230173 [0,1,0,0,0,0|2,0,1]=4 1401 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210681 [0,1,0,0,0,0|2,0,1]=4 1402 B14R0.83 CCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210614 [0,1,0,0,0,0|2,0,1]=4 1403 B14R0.83 CCCCCCCNC(C)C(=O)OCC 2230a_100000229938_100011215307 [0,1,0,0,0,0|1,0,1]=3 1404 B14R0.83 CCCCCCCNC(F)C(=O)OCC 2230a_100000229938_100000760018 [0,1,0,0,0,0|1,0,1]=3 1405 B14R0.83 CCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210681 [0,1,0,0,0,0|1,1,1]=4 1406 B14R0.83 CCCCCCCOC(C)C(=O)NCC 34a_100000210272_100000230173 [0,1,0,0,0,0|2,0,1]=4 1407 B14R0.83 CCCCCCCOC(C)C(=O)NCC 7a_100000210272_100000230173 [0,1,0,0,0,0|2,0,1]=4 1408 B14R0.83 CCCCCCCOC(C)C(=O)OCC 34a_100000210272_100011216346 [0,1,0,0,0,0|1,0,1]=3 1409 B14R0.83 CCCCCCCOC(C)C(=O)OCC 7a_100000210272_100011216346 [0,1,0,0,0,0|1,0,1]=3 1410 B14R0.83 CCCCCCCOC(F)C(=O)OCC 34a_100000210272_100000760018 [0,1,0,0,0,0|1,0,1]=3 1411 B14R0.83 CCCCCCCOC(F)C(=O)OCC 7a_100000210272_100000040065 [0,1,0,0,0,0|1,0,1]=3 1412 B14R0.83 CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210614 [0,1,0,0,0,0|1,0,1]=3 1413 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000210614_100000230173 [0,1,0,0,0,0|2,0,1]=4 1414 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210316 [0,1,0,0,0,0|2,0,1]=4 1415 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100000210614_100011216346 [0,1,0,0,0,0|1,0,1]=3 1416 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210316 [0,1,0,0,0,0|1,0,1]=3 1417 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000210614_100000760018 [0,1,0,0,0,0|1,0,1]=3 1418 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210316 [0,1,0,0,0,0|1,0,1]=3 1419 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000210314_100000211299 [0,1,0,0,0,0|1,0,1]=3 1420 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210757 [0,1,0,0,0,0|1,0,1]=3 1421 B14R0.83 CCCCOCCOC(C)C(=O)OCC 34a_100000210238_100011216346 [0,1,0,0,0,0|2,0,1]=4 1422 B14R0.83 CCCCOCCOC(C)C(=O)OCC 7a_100000210238_100011216346 [0,1,0,0,0,0|2,0,1]=4 1423 B14R0.83 CCCCOCCOC(F)C(=O)OCC 34a_100000210238_100000760018 [0,1,0,0,0,0|2,0,1]=4 1424 B14R0.83 CCCCOCCOC(F)C(=O)OCC 7a_100000210238_100000040065 [0,1,0,0,0,0|2,0,1]=4 1425 B14R0.83 CCCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000743108 [0,1,0,0,0,0|2,0,1]=4 1426 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100000743108_100011216346 [0,1,0,0,0,0|2,0,1]=4 1427 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100011216346_100000743108 [0,1,0,0,0,0|2,0,1]=4 1428 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000743108_100000760018 [0,1,0,0,0,0|2,0,1]=4 1429 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000760018_100000743108 [0,1,0,0,0,0|2,0,1]=4 1430 B14R0.83 CCCCOCSCC(=O)C(=O)OCC 62a_100000211299_100011995733 [0,1,0,0,0,0|2,0,1]=4 1431 B14R0.83 CCCCOCSCC(=O)C(=O)OCC 62a_100011995733_100000211299 [0,1,0,0,0,0|2,0,1]=4 1432 B14R0.83 CCCCSCCNC(=O)C(=O)NCC 1626a_100025743550_200011297158 [0,1,0,0,0,0|3,0,0]=4 1433 B14R0.83 CCCCSCCNC(=O)C(=O)NCC 240690a_100025743550_200011297158 [0,1,0,0,0,0|3,0,0]=4 1434 B14R0.83 CCCCSCCNC(=O)C(=O)NCC 527a_100025743550_200011297158 [0,1,0,0,0,0|3,0,0]=4 1435 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 11a_100025743550_100014798877 [0,1,0,0,0,0|2,0,0]=3 1436 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 1626a_100025743550_100014798877 [0,1,0,0,0,0|2,0,0]=3 1437 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 240690a_100025743550_100014798877 [0,1,0,0,0,0|2,0,0]=3 1438 B14R0.83 CCCCSCCNC(C)C(=O)OCC 2230a_100025743550_100011215307 [0,1,0,0,0,0|2,0,1]=4 1439 B14R0.83 CCCCSCCNC(F)C(=O)OCC 2230a_100025743550_100000760018 [0,1,0,0,0,0|2,0,1]=4 1440 B14R0.83 CCCCSCCOC(C)C(=O)OCC 34a_200000230436_100011216346 [0,1,0,0,0,0|2,0,1]=4 1441 B14R0.83 CCCCSCCOC(C)C(=O)OCC 7a_200000230436_100011216346 [0,1,0,0,0,0|2,0,1]=4 1442 B14R0.83 CCCCSCCOC(F)C(=O)OCC 34a_200000230436_100000760018 [0,1,0,0,0,0|2,0,1]=4 1443 B14R0.83 CCCCSCCOC(F)C(=O)OCC 7a_200000230436_100000040065 [0,1,0,0,0,0|2,0,1]=4 1444 B14R0.83 CCCOCCCNC(=O)C(=O)NCC 1626a_100011217757_200011297158 [0,1,0,0,0,0|3,0,0]=4 1445 B14R0.83 CCCOCCCNC(=O)C(=O)NCC 240690a_100011217757_200011297158 [0,1,0,0,0,0|3,0,0]=4 1446 B14R0.83 CCCOCCCNC(=O)C(=O)NCC 527a_100011217757_200011297158 [0,1,0,0,0,0|3,0,0]=4 1447 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 1626a_100011217757_100014798877 [0,1,0,0,0,0|2,0,0]=3 1448 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 240690a_100011217757_100014798877 [0,1,0,0,0,0|2,0,0]=3 1449 B14R0.83 CCCOCCCNC(C)C(=O)OCC 2230a_100011217757_100011215307 [0,1,0,0,0,0|2,0,1]=4 1450 B14R0.83 CCCOCCCNC(C)C(=O)OCC 34a_100011217757_100011216346 [0,1,0,0,0,0|2,0,1]=4 1451 B14R0.83 CCCOCCCNC(F)C(=O)OCC 2230a_100011217757_100000760018 [0,1,0,0,0,0|2,0,1]=4 1452 B14R0.83 CCCOCCCNC(F)C(=O)OCC 34a_100011217757_100000760018 [0,1,0,0,0,0|2,0,1]=4 1453 B14R0.83 CCCOCCSCC(=O)C(=O)OCC 62a_100000211299_100011215938 [0,1,0,0,0,0|2,0,1]=4 1454 B14R0.83 CCCOCCSCC(=O)C(=O)OCC 62a_100011215938_100000211299 [0,1,0,0,0,0|2,0,1]=4 1455 B14R0.83 CCNC(=O)C(=O)CCCCCCCO 1458a_200011297158_100000760002 [0,1,0,0,0,0|2,0,1]=4 1456 B14R0.83 CCNC(=O)C(=O)CCCCCCOC 1458a_200011297158_100011998445 [0,1,0,0,0,0|2,0,1]=4 1457 B14R0.83 CCNC(=O)C(=O)NCCCCCCO 240690a_100000686447_200011297158 [0,1,0,0,0,0|3,0,0]=4 1458 B14R0.83 CCNC(=O)C(=O)NCCCCCCO 527a_100000686447_200011297158 [0,1,0,0,0,0|3,0,0]=4 1459 B14R0.83 CCNC(=O)C(=O)NCCCCCOC 1626a_100000747528_200011297158 [0,1,0,0,0,0|3,0,0]=4 1460 B14R0.83 CCNC(=O)C(=O)NCCCCCOC 240690a_100000747528_200011297158 [0,1,0,0,0,0|3,0,0]=4 1461 B14R0.83 CCNC(=O)C(=O)NCCCCCOC 527a_100000747528_200011297158 [0,1,0,0,0,0|3,0,0]=4 1462 B14R0.83 CCNCCCCCC(=O)C(=O)OCC 2230a_100015525214_100000068741 [0,1,0,0,0,0|1,0,1]=3 1463 B14R0.83 CCOC(=O)C(=O)CCCCCSCC 62a_100000210202_100000068741 [0,1,0,0,0,0|1,0,1]=3 1464 B14R0.83 CCOC(=O)C(=O)CCCCCSCF 62a_100015361967_100000068741 [0,1,0,0,0,0|2,0,1]=4 1465 B14R0.83 CCOC(=O)C(=O)CSCCCCCF 62a_100000211299_100000729378 [0,1,0,0,0,0|2,0,1]=4 1466 B14R0.83 CCOC(=O)C(=O)CSCCCCCF 62a_100000729378_100000211299 [0,1,0,0,0,0|2,0,1]=4 1467 B14R0.83 CCOC(=O)C(=O)CSCCCCCO 62a_100000211299_100000746330 [0,1,0,0,0,0|2,0,1]=4 1468 B14R0.83 CCOC(=O)C(=O)CSCCCCCO 62a_100000746330_100000211299 [0,1,0,0,0,0|2,0,1]=4 1469 B14R0.83 CCOC(=O)C(=O)CSCCCCOC 62a_100000211299_100000730899 [0,1,0,0,0,0|2,0,1]=4 1470 B14R0.83 CCOC(=O)C(=O)CSCCCCOC 62a_100000730899_100000211299 [0,1,0,0,0,0|2,0,1]=4 1471 B14R0.83 CCOC(=O)C(=O)NCCCCCC#N 11a_100000061152_100014798877 [0,1,0,0,0,0|2,0,1]=4 1472 B14R0.83 CCOC(=O)C(=O)NCCCCCC#N 1626a_100000061152_100014798877 [0,1,0,0,0,0|2,0,1]=4 1473 B14R0.83 CCOC(=O)C(=O)NCCCCCC#N 240690a_100000061152_100014798877 [0,1,0,0,0,0|2,0,1]=4 1474 B14R0.83 CCOC(=O)C(=O)NCCCCCCO 240690a_100000686447_100014798877 [0,1,0,0,0,0|2,0,0]=3 1475 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 11a_100000747528_100014798877 [0,1,0,0,0,0|2,0,0]=3 1476 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 1626a_100000747528_100014798877 [0,1,0,0,0,0|2,0,0]=3 1477 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 240690a_100000747528_100014798877 [0,1,0,0,0,0|2,0,0]=3 1478 B14R0.83 CCOC(=O)C(=O)NCCOCCOC 11a_100000745349_100014798877 [0,1,0,0,0,0|3,0,0]=4 1479 B14R0.83 CCOC(=O)C(=O)NCCOCCOC 1626a_100000745349_100014798877 [0,1,0,0,0,0|3,0,0]=4 1480 B14R0.83 CCOC(=O)C(=O)NCCOCCOC 240690a_100000745349_100014798877 [0,1,0,0,0,0|3,0,0]=4 1481 B14R0.83 CCOC(=O)C(C)NCCCCCCO 2230a_100000686447_100011215307 [0,1,0,0,0,0|2,0,1]=4 1482 B14R0.83 CCOC(=O)C(C)NCCCCCCO 34a_100000686447_100011216346 [0,1,0,0,0,0|2,0,1]=4 1483 B14R0.83 CCOC(=O)C(C)NCCCCCOC 2230a_100000747528_100011215307 [0,1,0,0,0,0|2,0,1]=4 1484 B14R0.83 CCOC(=O)C(C)NCCCCCOC 34a_100000747528_100011216346 [0,1,0,0,0,0|2,0,1]=4 1485 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 34a_100011215345_100011216346 [0,1,0,0,0,0|2,0,1]=4 1486 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 7a_100011215345_100011216346 [0,1,0,0,0,0|2,0,1]=4 1487 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 34a_100000766143_100011216346 [0,1,0,0,0,0|2,0,1]=4 1488 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 7a_100000766143_100011216346 [0,1,0,0,0,0|2,0,1]=4 1489 B14R0.83 CCOC(=O)C(C)OCCCCCCF 34a_100000732779_100011216346 [0,1,0,0,0,0|2,0,1]=4 1490 B14R0.83 CCOC(=O)C(C)OCCCCCCF 7a_100000732779_100011216346 [0,1,0,0,0,0|2,0,1]=4 1491 B14R0.83 CCOC(=O)C(C)OCCCCCCN 34a_100000686447_100011216346 [0,1,0,0,0,0|2,0,1]=4 1492 B14R0.83 CCOC(=O)C(C)OCCCCCNC 34a_100000722520_100011216346 [0,1,0,0,0,0|2,0,1]=4 1493 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100011216346_100015922095 [0,1,0,0,0,0|2,0,1]=4 1494 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100015922095_100011216346 [0,1,0,0,0,0|2,0,1]=4 1495 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100000766143_100011216346 [0,1,0,0,0,0|2,0,1]=4 1496 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100011216346_100000766143 [0,1,0,0,0,0|2,0,1]=4 1497 B14R0.83 CCOC(=O)C(F)NCCCCCCO 2230a_100000686447_100000760018 [0,1,0,0,0,0|2,0,1]=4 1498 B14R0.83 CCOC(=O)C(F)NCCCCCCO 34a_100000686447_100000760018 [0,1,0,0,0,0|2,0,1]=4 1499 B14R0.83 CCOC(=O)C(F)NCCCCCOC 2230a_100000747528_100000760018 [0,1,0,0,0,0|2,0,1]=4 1500 B14R0.83 CCOC(=O)C(F)NCCCCCOC 34a_100000747528_100000760018 [0,1,0,0,0,0|2,0,1]=4 1501 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 34a_100011215345_100000760018 [0,1,0,0,0,0|2,0,1]=4 1502 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 7a_100011215345_100000040065 [0,1,0,0,0,0|2,0,1]=4 1503 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 34a_100000766143_100000760018 [0,1,0,0,0,0|2,0,1]=4 1504 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 7a_100000766143_100000040065 [0,1,0,0,0,0|2,0,1]=4 1505 B14R0.83 CCOC(=O)C(F)OCCCCCCF 34a_100000732779_100000760018 [0,1,0,0,0,0|2,0,1]=4 1506 B14R0.83 CCOC(=O)C(F)OCCCCCCF 7a_100000732779_100000040065 [0,1,0,0,0,0|2,0,1]=4 1507 B14R0.83 CCOC(=O)C(F)OCCCCCCN 34a_100000686447_100000760018 [0,1,0,0,0,0|2,0,1]=4 1508 B14R0.83 CCOC(=O)C(F)OCCCCCNC 34a_100000722520_100000760018 [0,1,0,0,0,0|2,0,1]=4 1509 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100000760018_100015922095 [0,1,0,0,0,0|2,0,1]=4 1510 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100015922095_100000760018 [0,1,0,0,0,0|2,0,1]=4 1511 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000760018_100000766143 [0,1,0,0,0,0|2,0,1]=4 1512 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000766143_100000760018 [0,1,0,0,0,0|2,0,1]=4 1513 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCF 7a_100000751109_100015922095 [0,1,0,0,0,0|2,0,1]=4 1514 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCO 7a_100000751109_100000766143 [0,1,0,0,0,0|2,0,1]=4 1515 B14R0.83 CCOCCCSCC(=O)C(=O)OCC 62a_100000211299_100012232248 [0,1,0,0,0,0|2,0,1]=4 1516 B14R0.83 CCOCCCSCC(=O)C(=O)OCC 62a_100012232248_100000211299 [0,1,0,0,0,0|2,0,1]=4 1517 B14R0.163 C=CCCC(C)OC/C=C/C(=O)OCC 34a_100000765329_100016267167 [0,1,0,0,0,0|1,0,2]=4 1518 B14R0.163 C=CCCC(C)OC/C=C/C(=O)OCC 7a_100000765329_100016267167 [0,1,0,0,0,0|1,0,2]=4 1519 B14R0.163 CCC#CC(C)OC/C=C/C(=O)OCC 34a_100000033903_100016267167 [0,1,0,0,0,0|1,0,2]=4 1520 B14R0.163 CCC#CC(C)OC/C=C/C(=O)OCC 7a_100000033903_100016267167 [0,1,0,0,0,0|1,0,2]=4 1521 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100000210183_100000750268 [0,1,0,0,0,0|0,0,3]=4 1522 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210211 [0,1,0,0,0,0|0,0,3]=4 1523 B14R0.163 CCCCC(=O)CCOCC(=O)OCC 1458a_100000210183_100000088970 [0,1,0,0,0,0|1,0,2]=4 1524 B14R0.163 CCCCC(C)COCCC(=O)OCC 34a_100011995851_100000765890 [0,1,0,0,0,0|1,0,2]=4 1525 B14R0.163 CCCCC(C)COCCC(=O)OCC 7a_100011995851_100011206558 [0,1,0,0,0,0|1,0,2]=4 1526 B14R0.163 CCCCC(C)NC/C=C/C(=O)OCC 2230a_100000126638_100016267167 [0,1,0,0,0,0|1,0,0]=2 1527 B14R0.163 CCCCC(C)NCCCC(=O)OCC 2230a_100000126638_100009991533 [0,1,0,0,0,0|1,0,2]=4 1528 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 34a_100000687866_100016267167 [0,1,0,0,0,0|1,0,0]=2 1529 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 7a_100000687866_100016267167 [0,1,0,0,0,0|1,0,0]=2 1530 B14R0.163 CCCCC(C)OCCCC(=O)OCC 34a_100000687866_100009991533 [0,1,0,0,0,0|1,0,2]=4 1531 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100000687866_100011215271 [0,1,0,0,0,0|1,0,2]=4 1532 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011215066 [0,1,0,0,0,0|1,0,2]=4 1533 B14R0.163 CCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011215066 [0,1,0,0,0,0|2,0,1]=4 1534 B14R0.163 CCCCC(C)OCCNC(=O)OCC 7a_100000687866_200011445536 [0,1,0,0,0,0|2,0,1]=4 1535 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_200011215066 [0,1,0,0,0,0|1,0,0]=2 1536 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_200011215066_100016267167 [0,1,0,0,0,0|1,0,0]=2 1537 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011215066 [0,1,0,0,0,0|1,0,2]=4 1538 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_200011215066_100009991533 [0,1,0,0,0,0|1,0,2]=4 1539 B14R0.163 CCCCC(C)SCCNC(=O)OCC 62a_200011215066_200011445536 [0,1,0,0,0,0|2,0,1]=4 1540 B14R0.163 CCCCN(C)CCCCC(=O)OCC 2230a_100000207549_100000750268 [0,1,0,0,0,0|1,0,2]=4 1541 B14R0.163 CCCCN(C)CCCCC(=O)OCC 269982a_100000207549_100000750268 [0,1,0,0,0,0|1,0,2]=4 1542 B14R0.163 CCCCN(C)CCOCC(=O)OCC 2230a_100000207549_100000088970 [0,1,0,0,0,0|2,0,1]=4 1543 B14R0.163 CCCCN(C)CCOCC(=O)OCC 269982a_100000207549_100000088970 [0,1,0,0,0,0|2,0,1]=4 1544 B14R0.163 CCCC[C@H](N)COCCC(=O)OCC 34a_100011934283_100000765890 [0,1,0,0,0,0|1,0,2]=4 1545 B14R0.163 CCOC(=O)/C=C/COC(C)CCCCl 34a_200000718107_100016267167 [0,1,0,0,0,0|2,0,0]=3 1546 B14R0.163 CCOC(=O)/C=C/COC(C)CCCCl 7a_200000718107_100016267167 [0,1,0,0,0,0|2,0,0]=3 1547 B14R0.163 CCOCC(C)OC/C=C/C(=O)OCC 34a_100000718985_100016267167 [0,1,0,0,0,0|2,0,0]=3 1548 B14R0.163 CCOCC(C)OC/C=C/C(=O)OCC 7a_100000718985_100016267167 [0,1,0,0,0,0|2,0,0]=3 1549 B14R0.181 C#CC(C)C(=O)C=CCCCCCCC 1458a_200015332781_200000035995 [0,1,0,0,0,0|1,0,2]=4 1550 B14R0.181 CCCCCC/C=C/CC(=O)C(C)CC 1458a_100020681715_100000758301 [0,1,0,0,0,0|1,0,2]=4 1551 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 1552 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 1553 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 1554 B14R0.181 CCCCCCCC=CC(=O)C(C)C#N 1458a_200015332781_100000703298 [0,1,0,0,0,0|2,0,1]=4 1555 B14R0.181 CCCCCCCC=CC(=O)C(C)CC 1458a_200015332781_100000758301 [0,1,0,0,0,0|1,0,0]=2 1556 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015332781 [0,1,0,0,0,0|1,0,0]=2 1557 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015332781 [0,1,0,0,0,0|1,0,0]=2 1558 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015332781 [0,1,0,0,0,0|1,0,0]=2 1559 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100000210558_100000758301 [0,1,0,0,0,0|1,0,2]=4 1560 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210670 [0,1,0,0,0,0|1,0,2]=4 1561 B14R0.181 CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210670 [0,1,0,0,0,0|1,0,2]=4 1562 B14R0.181 CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1563 B14R0.181 CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1564 B14R0.181 CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1565 B14R0.181 CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210558 [0,1,0,0,0,0|1,0,2]=4 1566 B14R0.181 CCCCCCCCNC(=O)C(C)CC 11a_100000229939_100011192722 [0,1,0,0,0,0|2,0,1]=4 1567 B14R0.181 CCCCCCCCNC(=O)C(C)CC 1626a_100000229939_100011192722 [0,1,0,0,0,0|2,0,1]=4 1568 B14R0.181 CCCCCCCCNC(=O)C(C)CC 240690a_100000229939_100011192722 [0,1,0,0,0,0|2,0,1]=4 1569 B14R0.181 CCCCCCCCNC(=O)C(C)CC 527a_100000229939_100011192722 [0,1,0,0,0,0|2,0,1]=4 1570 B14R0.181 CCCCCCCCNC(=O)C(O)CC 240690a_100000229939_100011196387 [0,1,0,0,0,0|2,0,1]=4 1571 B14R0.181 CCCCCCCCNC(=O)N(C)CC 2708a_100000229939_100000225621 [0,1,0,0,0,0|2,0,1]=4 1572 B14R0.181 CCCCCCCCNC(=O)N(C)CC 273464a_100000229939_100000225621 [0,1,0,0,0,0|2,0,1]=4 1573 B14R0.181 CCCCCCCNCC(=O)N(C)CC 2230a_100000229938_100000738999 [0,1,0,0,0,0|2,0,1]=4 1574 B14R0.181 CCCCCCCOCC(=O)N(C)CC 34a_100000210272_100000738999 [0,1,0,0,0,0|2,0,1]=4 1575 B14R0.181 CCCCCCCOCC(=O)N(C)CC 7a_100000210272_100000738999 [0,1,0,0,0,0|2,0,1]=4 1576 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000210614_100000738999 [0,1,0,0,0,0|2,0,1]=4 1577 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210316 [0,1,0,0,0,0|2,0,1]=4 1578 B14R0.199 C#CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100010269958 [0,1,0,0,0,0|0,0,3]=4 1579 B14R0.199 C=CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215482 [0,1,0,0,0,0|0,0,3]=4 1580 B14R0.199 CC/C=C\CCC(=O)C=CC(=O)OCC 1458a_100000210415_100015370543 [0,1,0,0,0,0|0,0,3]=4 1581 B14R0.199 CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210757 [0,1,0,0,0,0|0,0,1]=2 1582 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,1,0,0,0,0|0,0,3]=4 1583 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,1,0,0,0,0|1,0,2]=4 1584 B14R0.199 CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100102632555 [0,1,0,0,0,0|1,0,2]=4 1585 B14R0.199 CCCCCCC(C)NCC(=O)CCC 2230a_100000210919_100000747444 [0,1,0,0,0,0|2,0,1]=4 1586 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100000210919_100000183381 [0,1,0,0,0,0|2,0,1]=4 1587 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100016988866_100011215978 [0,1,0,0,0,0|2,0,1]=4 1588 B14R0.199 CCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210826 [0,1,0,0,0,0|2,0,1]=4 1589 B14R0.199 CCCCCCC(C)NCC(=O)NCC 34a_100000210919_100000183381 [0,1,0,0,0,0|2,0,1]=4 1590 B14R0.199 CCCCCCC(C)NCC(=O)OCC 2230a_100000210919_100000188475 [0,1,0,0,0,0|1,0,1]=3 1591 B14R0.199 CCCCCCC(C)NCC(=O)OCC 34a_100000210919_100000188475 [0,1,0,0,0,0|1,0,1]=3 1592 B14R0.199 CCCCCCC(C)OCC(=O)CCC 7a_100000210265_100000747444 [0,1,0,0,0,0|2,0,1]=4 1593 B14R0.199 CCCCCCC(C)OCC(=O)NCC 34a_100000210265_100000183381 [0,1,0,0,0,0|2,0,1]=4 1594 B14R0.199 CCCCCCC(C)OCC(=O)NCC 7a_100000210265_100000183381 [0,1,0,0,0,0|2,0,1]=4 1595 B14R0.199 CCCCCCC(C)OCC(=O)OCC 34a_100000210265_100000188475 [0,1,0,0,0,0|1,0,1]=3 1596 B14R0.199 CCCCCCC(C)OCC(=O)OCC 7a_100000210265_100000188475 [0,1,0,0,0,0|1,0,1]=3 1597 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100000747444_100011215978 [0,1,0,0,0,0|2,0,1]=4 1598 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100011215978_100000747444 [0,1,0,0,0,0|2,0,1]=4 1599 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100000183381_100011215978 [0,1,0,0,0,0|2,0,1]=4 1600 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100011215978_100000183381 [0,1,0,0,0,0|2,0,1]=4 1601 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100000188475_100011215978 [0,1,0,0,0,0|1,0,1]=3 1602 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100011215978_100000188475 [0,1,0,0,0,0|1,0,1]=3 1603 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210314 [0,1,0,0,0,0|1,0,2]=4 1604 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_106256046315_100011206558 [0,1,0,0,0,0|1,0,2]=4 1605 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210757 [0,1,0,0,0,0|1,0,2]=4 1606 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_106256046315_100011206558 [0,1,0,0,0,0|1,0,2]=4 1607 B14R0.199 CCCCCNC(=O)C=CC(=O)OCC 1626a_100000209983_100000210415 [0,1,0,0,0,0|1,0,1]=3 1608 B14R0.199 CCCCCNC(=O)C=CC(=O)OCC 240690a_100000209983_100000210415 [0,1,0,0,0,0|1,0,1]=3 1609 B14R0.199 CCCCCNC(C)CCC(=O)OCC 2230a_100000209983_100000748298 [0,1,0,0,0,0|1,0,2]=4 1610 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,1,0,0,0,0|1,0,2]=4 1611 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,1,0,0,0,0|1,0,2]=4 1612 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000210326_100000748298 [0,1,0,0,0,0|1,0,2]=4 1613 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210326 [0,1,0,0,0,0|1,0,2]=4 1614 B14R0.199 CCCCNN=C(C)C=CC(=O)OCC 4a_100025702795_200016282221 [0,1,0,0,0,0|2,0,1]=4 1615 B14R0.199 CCCCOCC(=O)C=CC(=O)OCC 1458a_100000210415_100011995733 [0,1,0,0,0,0|1,0,1]=3 1616 B14R0.199 CCCCOCC(C)OCC(=O)OCC 34a_100011217071_100000188475 [0,1,0,0,0,0|2,0,1]=4 1617 B14R0.199 CCCCOCC(C)OCC(=O)OCC 7a_100011217071_100000188475 [0,1,0,0,0,0|2,0,1]=4 1618 B14R0.199 CCCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215938 [0,1,0,0,0,0|1,0,1]=3 1619 B14R0.199 CCOC(=O)C=CC(=O)CCCCC#N 1458a_100000210415_100000211819 [0,1,0,0,0,0|1,0,2]=4 1620 B14R0.199 CCOC(=O)C=CC(=O)CCCCCF 1458a_100000210415_100000729378 [0,1,0,0,0,0|1,0,1]=3 1621 B14R0.199 CCOC(=O)C=CC(=O)CCCCCO 1458a_100000210415_100000746330 [0,1,0,0,0,0|1,0,1]=3 1622 B14R0.199 CCOC(=O)C=CC(=O)CCCCOC 1458a_100000210415_100000755781 [0,1,0,0,0,0|1,0,1]=3 1623 B14R0.199 CCOC(=O)C=CC(=O)CCOCCO 1458a_100000210415_100011215305 [0,1,0,0,0,0|2,0,1]=4 1624 B14R0.199 CCOC(=O)C=CC(=O)NCCCCO 240690a_100000750430_100000210415 [0,1,0,0,0,0|2,0,1]=4 1625 B14R0.199 CCOC(=O)C=CC(=O)NCCCOC 1626a_100150723488_100000210415 [0,1,0,0,0,0|2,0,1]=4 1626 B14R0.199 CCOC(=O)C=CC(=O)NCCCOC 240690a_100150723488_100000210415 [0,1,0,0,0,0|2,0,1]=4 1627 B14R0.199 CCOC(=O)C=CC(=O)NCCCSC 1626a_100000749238_100000210415 [0,1,0,0,0,0|2,0,1]=4 1628 B14R0.199 CCOC(=O)C=CC(=O)NCCCSC 240690a_100000749238_100000210415 [0,1,0,0,0,0|2,0,1]=4 1629 B14R0.199 CCOC(=O)C=CC(=O)NCCSCC 1626a_100000106463_100000210415 [0,1,0,0,0,0|2,0,1]=4 1630 B14R0.199 CCOC(=O)C=CC(=O)NCCSCC 240690a_100000106463_100000210415 [0,1,0,0,0,0|2,0,1]=4 1631 B14R0.199 CCOCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100012232248 [0,1,0,0,0,0|1,0,1]=3 1632 B14R0.199 CCOCCNC(=O)C=CC(=O)OCC 1626a_102516460346_100000210415 [0,1,0,0,0,0|2,0,1]=4 1633 B14R0.199 CCOCCNC(=O)C=CC(=O)OCC 240690a_100011200944_100000210415 [0,1,0,0,0,0|2,0,1]=4 1634 B14R0.391 C=C(C)CC(=O)C=CCCCCCCC 1458a_200015332781_100000748629 [0,1,0,0,0,0|1,0,1]=3 1635 B14R0.391 C=C(F)CC(=O)C=CCCCCCCC 1458a_200015332781_100009893438 [0,1,0,0,0,0|1,0,2]=4 1636 B14R0.391 CC(C)OC(=O)CNCCCCCCO 2230a_100000686447_100011215430 [0,1,0,0,0,0|2,0,1]=4 1637 B14R0.391 CC(C)OC(=O)CNCCCCCCO 34a_100000686447_100011215430 [0,1,0,0,0,0|2,0,1]=4 1638 B14R0.391 CC(C)OC(=O)COCCCCCCBr 34a_100011215345_100011215430 [0,1,0,0,0,0|2,0,1]=4 1639 B14R0.391 CC(C)OC(=O)COCCCCCCBr 7a_100011215345_100011215430 [0,1,0,0,0,0|2,0,1]=4 1640 B14R0.391 CC(C)OC(=O)COCCCCCCCl 34a_100000766143_100011215430 [0,1,0,0,0,0|2,0,1]=4 1641 B14R0.391 CC(C)OC(=O)COCCCCCCCl 7a_100000766143_100011215430 [0,1,0,0,0,0|2,0,1]=4 1642 B14R0.391 CC(C)OC(=O)COCCCCCCF 34a_100000732779_100011215430 [0,1,0,0,0,0|2,0,1]=4 1643 B14R0.391 CC(C)OC(=O)COCCCCCCF 7a_100000732779_100011215430 [0,1,0,0,0,0|2,0,1]=4 1644 B14R0.391 CC(C)OC(=O)COCCCCCCN 34a_100000686447_100011215430 [0,1,0,0,0,0|2,0,1]=4 1645 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100011215430_100015922095 [0,1,0,0,0,0|2,0,1]=4 1646 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100015922095_100011215430 [0,1,0,0,0,0|2,0,1]=4 1647 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100000766143_100011215430 [0,1,0,0,0,0|2,0,1]=4 1648 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100011215430_100000766143 [0,1,0,0,0,0|2,0,1]=4 1649 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)C 1458a_100020681715_100000210624 [0,1,0,0,0,0|1,0,2]=4 1650 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)O 1458a_100020681715_100011218427 [0,1,0,0,0,0|1,0,2]=4 1651 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 1652 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 1653 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 1654 B14R0.391 CCCCCCCC=CC(=O)CC(=O)N 1458a_200015332781_100000187820 [0,1,0,0,0,0|2,0,1]=4 1655 B14R0.391 CCCCCCCC=CC(=O)CC(=O)[O-] 1458a_200015332781_100020667443 [0,1,0,0,0,0|2,0,1]=4 1656 B14R0.391 CCCCCCCC=CC(=O)CC(C)C 1458a_200015332781_100000210624 [0,1,0,0,0,0|1,0,0]=2 1657 B14R0.391 CCCCCCCC=CC(=O)CC(C)O 1458a_200015332781_100011218427 [0,1,0,0,0,0|1,0,0]=2 1658 B14R0.391 CCCCCCCC=CC(=O)CC(F)F 1458a_200015332781_100011934356 [0,1,0,0,0,0|2,0,0]=3 1659 B14R0.391 CCCCCCCC=CC(=O)C[N+](=O)[O-] 1458a_200015332781_100000761209 [0,1,0,0,0,0|3,0,0]=4 1660 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015332781 [0,1,0,0,0,0|1,0,0]=2 1661 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015332781 [0,1,0,0,0,0|1,0,0]=2 1662 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015332781 [0,1,0,0,0,0|1,0,0]=2 1663 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210670 [0,1,0,0,0,0|1,0,2]=4 1664 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210558_100000210624 [0,1,0,0,0,0|1,0,2]=4 1665 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,1,0,0,0,0|1,0,2]=4 1666 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,1,0,0,0,0|1,0,2]=4 1667 B14R0.391 CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1668 B14R0.391 CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1669 B14R0.391 CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1670 B14R0.391 CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210558 [0,1,0,0,0,0|1,0,2]=4 1671 B14R0.391 CCCCCCCCNC(=O)CC(C)C 11a_100000229939_100000210554 [0,1,0,0,0,0|2,0,1]=4 1672 B14R0.391 CCCCCCCCNC(=O)CC(C)C 1626a_100000229939_100000210554 [0,1,0,0,0,0|2,0,1]=4 1673 B14R0.391 CCCCCCCCNC(=O)CC(C)C 240690a_100000229939_100000210554 [0,1,0,0,0,0|2,0,1]=4 1674 B14R0.391 CCCCCCCCNC(=O)CC(C)C 527a_100000229939_100000210554 [0,1,0,0,0,0|2,0,1]=4 1675 B14R0.391 CCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229939_100011933948 [0,1,0,0,0,0|2,0,1]=4 1676 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100000229939_100138425928 [0,1,0,0,0,0|2,0,1]=4 1677 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229939 [0,1,0,0,0,0|2,0,1]=4 1678 B14R0.391 CCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229939 [0,1,0,0,0,0|2,0,1]=4 1679 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100000229939_100138425928 [0,1,0,0,0,0|2,0,1]=4 1680 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229939 [0,1,0,0,0,0|2,0,1]=4 1681 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210681 [0,1,0,0,0,0|2,0,1]=4 1682 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000229938_100000183996 [0,1,0,0,0,0|2,0,1]=4 1683 B14R0.391 CCCCCCCNCC(=O)OC(C)C 2230a_100000229938_100011215430 [0,1,0,0,0,0|1,0,1]=3 1684 B14R0.391 CCCCCCCOCC(=O)NC(C)C 34a_100000210272_100000183996 [0,1,0,0,0,0|2,0,1]=4 1685 B14R0.391 CCCCCCCOCC(=O)NC(C)C 7a_100000210272_100000183996 [0,1,0,0,0,0|2,0,1]=4 1686 B14R0.391 CCCCCCCOCC(=O)OC(C)C 34a_100000210272_100011215430 [0,1,0,0,0,0|1,0,1]=3 1687 B14R0.391 CCCCCCCOCC(=O)OC(C)C 7a_100000210272_100011215430 [0,1,0,0,0,0|1,0,1]=3 1688 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210316 [0,1,0,0,0,0|2,0,1]=4 1689 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000210614_100000183996 [0,1,0,0,0,0|2,0,1]=4 1690 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100000210614_100011215430 [0,1,0,0,0,0|1,0,1]=3 1691 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210316 [0,1,0,0,0,0|1,0,1]=3 1692 B14R0.391 CCCCCCNCCC(=O)OC(C)C 2230a_100000210581_100000760027 [0,1,0,0,0,0|1,0,2]=4 1693 B14R0.391 CCCCCCOCCC(=O)OC(C)C 7a_100000210259_100000760027 [0,1,0,0,0,0|1,0,2]=4 1694 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000210314_100000760027 [0,1,0,0,0,0|1,0,2]=4 1695 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210757 [0,1,0,0,0,0|1,0,2]=4 1696 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210757 [0,1,0,0,0,0|2,0,1]=4 1697 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000210314_100000003507 [0,1,0,0,0,0|2,0,1]=4 1698 B14R0.391 CCCCOCCOCC(=O)OC(C)C 34a_100000210238_100011215430 [0,1,0,0,0,0|2,0,1]=4 1699 B14R0.391 CCCCOCCOCC(=O)OC(C)C 7a_100000210238_100011215430 [0,1,0,0,0,0|2,0,1]=4 1700 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100000743108_100011215430 [0,1,0,0,0,0|2,0,1]=4 1701 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100011215430_100000743108 [0,1,0,0,0,0|2,0,1]=4 1702 B14R0.391 CCCCSCCNCC(=O)OC(C)C 2230a_100025743550_100011215430 [0,1,0,0,0,0|2,0,1]=4 1703 B14R0.391 CCCCSCCOCC(=O)OC(C)C 34a_200000230436_100011215430 [0,1,0,0,0,0|2,0,1]=4 1704 B14R0.391 CCCCSCCOCC(=O)OC(C)C 7a_200000230436_100011215430 [0,1,0,0,0,0|2,0,1]=4 1705 B14R0.391 CCCOCCCCCC(=O)OC(C)C 34a_100000210258_200010986244 [0,1,0,0,0,0|1,0,2]=4 1706 B14R0.391 CCCOCCCNCC(=O)OC(C)C 2230a_100011217757_100011215430 [0,1,0,0,0,0|2,0,1]=4 1707 B14R0.391 CCCOCCCNCC(=O)OC(C)C 34a_100011217757_100011215430 [0,1,0,0,0,0|2,0,1]=4 1708 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_100000210303_200010986244 [0,1,0,0,0,0|1,0,2]=4 1709 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210303 [0,1,0,0,0,0|1,0,2]=4 1710 B14R0.391 CNCCCCCOCC(=O)OC(C)C 34a_100000722520_100011215430 [0,1,0,0,0,0|2,0,1]=4 1711 B14R0.391 COCCCCCNCC(=O)OC(C)C 2230a_100000747528_100011215430 [0,1,0,0,0,0|2,0,1]=4 1712 B14R0.391 COCCCCCNCC(=O)OC(C)C 34a_100000747528_100011215430 [0,1,0,0,0,0|2,0,1]=4 1713 B14R0.393 C#CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000184674 [0,1,0,0,0,0|1,0,2]=4 1714 B14R0.393 C#CCCCCCCOCC(=O)OCC 34a_100011217361_100000188475 [0,1,0,0,0,0|1,0,2]=4 1715 B14R0.393 C#CCCCCCCOCC(=O)OCC 7a_100011217361_100000188475 [0,1,0,0,0,0|1,0,2]=4 1716 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100000188475_100012276617 [0,1,0,0,0,0|1,0,2]=4 1717 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100012276617_100000188475 [0,1,0,0,0,0|1,0,2]=4 1718 B14R0.393 C#CCCCCNC/C=C/C(=O)OCC 2230a_100000706060_100016267167 [0,1,0,0,0,0|0,0,2]=3 1719 B14R0.393 C#CCCCCNC/C=C/C(=O)OCC 34a_100000706060_100016267167 [0,1,0,0,0,0|0,0,2]=3 1720 B14R0.393 C#CCCCCOC/C=C/C(=O)OCC 34a_100000766709_100016267167 [0,1,0,0,0,0|0,0,2]=3 1721 B14R0.393 C#CCCCCOC/C=C/C(=O)OCC 7a_100000766709_100016267167 [0,1,0,0,0,0|0,0,2]=3 1722 B14R0.393 C#CCCCCSC/C=C/C(=O)OCC 62a_100010269958_100016267167 [0,1,0,0,0,0|0,0,2]=3 1723 B14R0.393 C#CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100010269958 [0,1,0,0,0,0|0,0,2]=3 1724 B14R0.393 C#CCOCCNC/C=C/C(=O)OCC 2230a_100000700922_100016267167 [0,1,0,0,0,0|1,0,2]=4 1725 B14R0.393 C#CCOCCNC/C=C/C(=O)OCC 34a_100000700922_100016267167 [0,1,0,0,0,0|1,0,2]=4 1726 B14R0.393 C#CCOCCOC/C=C/C(=O)OCC 34a_100000054580_100016267167 [0,1,0,0,0,0|1,0,2]=4 1727 B14R0.393 C#CCOCCOC/C=C/C(=O)OCC 7a_100000054580_100016267167 [0,1,0,0,0,0|1,0,2]=4 1728 B14R0.393 C#CCOCCSC/C=C/C(=O)OCC 62a_100010402529_100016267167 [0,1,0,0,0,0|1,0,2]=4 1729 B14R0.393 C#CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100010402529 [0,1,0,0,0,0|1,0,2]=4 1730 B14R0.393 C=CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000210623 [0,1,0,0,0,0|1,0,2]=4 1731 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [0,1,0,0,0,0|1,0,2]=4 1732 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [0,1,0,0,0,0|1,0,2]=4 1733 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100000188475_100011215473 [0,1,0,0,0,0|1,0,2]=4 1734 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100011215473_100000188475 [0,1,0,0,0,0|1,0,2]=4 1735 B14R0.393 C=CCCCCNC/C=C/C(=O)OCC 2230a_100000703577_100016267167 [0,1,0,0,0,0|0,0,2]=3 1736 B14R0.393 C=CCCCCNC/C=C/C(=O)OCC 34a_100000703577_100016267167 [0,1,0,0,0,0|0,0,2]=3 1737 B14R0.393 C=CCCCCOC/C=C/C(=O)OCC 34a_100000766645_100016267167 [0,1,0,0,0,0|0,0,2]=3 1738 B14R0.393 C=CCCCCOC/C=C/C(=O)OCC 7a_100000766645_100016267167 [0,1,0,0,0,0|0,0,2]=3 1739 B14R0.393 C=CCCCCSC/C=C/C(=O)OCC 62a_100011215482_100016267167 [0,1,0,0,0,0|0,0,2]=3 1740 B14R0.393 C=CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100011215482 [0,1,0,0,0,0|0,0,2]=3 1741 B14R0.393 C=CCOCCOC/C=C/C(=O)OCC 34a_100000037705_100016267167 [0,1,0,0,0,0|1,0,2]=4 1742 B14R0.393 C=CCOCCOC/C=C/C(=O)OCC 7a_100000037705_100016267167 [0,1,0,0,0,0|1,0,2]=4 1743 B14R0.393 C=COCCCNC/C=C/C(=O)OCC 2230a_100000210767_100016267167 [0,1,0,0,0,0|1,0,2]=4 1744 B14R0.393 C=COCCCNC/C=C/C(=O)OCC 34a_100000210767_100016267167 [0,1,0,0,0,0|1,0,2]=4 1745 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 34a_100016287862_100000188475 [0,1,0,0,0,0|1,0,2]=4 1746 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 7a_100016287862_100000188475 [0,1,0,0,0,0|1,0,2]=4 1747 B14R0.393 CC/C=C\CCOC/C=C/C(=O)OCC 34a_100016288707_100016267167 [0,1,0,0,0,0|0,0,2]=3 1748 B14R0.393 CC/C=C\CCOC/C=C/C(=O)OCC 7a_100016288707_100016267167 [0,1,0,0,0,0|0,0,2]=3 1749 B14R0.393 CC/C=C\CCSC/C=C/C(=O)OCC 62a_100015370543_100016267167 [0,1,0,0,0,0|0,0,2]=3 1750 B14R0.393 CC/C=C\CCSC/C=C/C(=O)OCC 62a_100016267167_100015370543 [0,1,0,0,0,0|0,0,2]=3 1751 B14R0.393 CC=C=CCCOC/C=C/C(=O)OCC 34a_100011020354_100016267167 [0,1,0,0,0,0|0,0,3]=4 1752 B14R0.393 CC=CCCCOC/C=C/C(=O)OCC 34a_100020645299_100016267167 [0,1,0,0,0,0|0,0,2]=3 1753 B14R0.393 CCC#CCCOC/C=C/C(=O)OCC 34a_100000036655_100016267167 [0,1,0,0,0,0|0,0,2]=3 1754 B14R0.393 CCC#CCCOC/C=C/C(=O)OCC 7a_100000036655_100016267167 [0,1,0,0,0,0|0,0,2]=3 1755 B14R0.393 CCC/C=C/COC/C=C/C(=O)OCC 34a_100016278788_100016267167 [0,1,0,0,0,0|0,0,2]=3 1756 B14R0.393 CCC/C=C/COC/C=C/C(=O)OCC 7a_100016278788_100016267167 [0,1,0,0,0,0|0,0,2]=3 1757 B14R0.393 CCCC#CCOC/C=C/C(=O)OCC 34a_100000034806_100016267167 [0,1,0,0,0,0|0,0,2]=3 1758 B14R0.393 CCCC#CCOC/C=C/C(=O)OCC 7a_100000034806_100016267167 [0,1,0,0,0,0|0,0,2]=3 1759 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,1,0,0,0,0|1,0,2]=4 1760 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,1,0,0,0,0|1,0,2]=4 1761 B14R0.393 CCCC(=O)CNCCCCCCCO 2230a_100011996573_100000747444 [0,1,0,0,0,0|2,0,1]=4 1762 B14R0.393 CCCC(=O)COCCCCCCCBr 7a_100000760002_100000747444 [0,1,0,0,0,0|2,0,1]=4 1763 B14R0.393 CCCC(=O)COCCCCCCOC 7a_200012092642_100000747444 [0,1,0,0,0,0|2,0,1]=4 1764 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000747444_100000760002 [0,1,0,0,0,0|2,0,1]=4 1765 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000760002_100000747444 [0,1,0,0,0,0|2,0,1]=4 1766 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100000747444_100011998445 [0,1,0,0,0,0|2,0,1]=4 1767 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100011998445_100000747444 [0,1,0,0,0,0|2,0,1]=4 1768 B14R0.393 CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000211992 [0,1,0,0,0,0|2,0,1]=4 1769 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 34a_200016286491_100000188475 [0,1,0,0,0,0|1,0,2]=4 1770 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 7a_200016286491_100000188475 [0,1,0,0,0,0|1,0,2]=4 1771 B14R0.393 CCCCC#CCCOCC(=O)OCC 34a_100000037610_100000188475 [0,1,0,0,0,0|1,0,2]=4 1772 B14R0.393 CCCCC#CCCOCC(=O)OCC 7a_100000037610_100000188475 [0,1,0,0,0,0|1,0,2]=4 1773 B14R0.393 CCCCC/C=C/COCC(=O)OCC 34a_100016258190_100000188475 [0,1,0,0,0,0|1,0,2]=4 1774 B14R0.393 CCCCC/C=C/COCC(=O)OCC 7a_100016258190_100000188475 [0,1,0,0,0,0|1,0,2]=4 1775 B14R0.393 CCCCCC#CCOCC(=O)OCC 34a_200000033628_100000188475 [0,1,0,0,0,0|1,0,2]=4 1776 B14R0.393 CCCCCC#CCOCC(=O)OCC 7a_200000033628_100000188475 [0,1,0,0,0,0|1,0,2]=4 1777 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100000188475_100009816472 [0,1,0,0,0,0|1,0,2]=4 1778 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100009816472_100000188475 [0,1,0,0,0,0|1,0,2]=4 1779 B14R0.393 CCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210592 [0,1,0,0,0,0|2,0,0]=3 1780 B14R0.393 CCCCCCCC=NNC(=O)COC 4a_100000216845_100000210592 [0,1,0,0,0,0|3,0,0]=4 1781 B14R0.393 CCCCCCCCC=CC(=O)CC#N 1458a_100015345288_100011214920 [0,1,0,0,0,0|2,0,1]=4 1782 B14R0.393 CCCCCCCCC=CC(=O)CCC 1458a_100015345288_100000210303 [0,1,0,0,0,0|1,0,0]=2 1783 B14R0.393 CCCCCCCCC=CC(=O)CCF 1458a_100015345288_100011217306 [0,1,0,0,0,0|2,0,0]=3 1784 B14R0.393 CCCCCCCCC=CC(=O)CCO 1458a_100015345288_100000211926 [0,1,0,0,0,0|2,0,0]=3 1785 B14R0.393 CCCCCCCCC=CC(=O)NCC 11a_100015525214_100015345288 [0,1,0,0,0,0|1,0,0]=2 1786 B14R0.393 CCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015345288 [0,1,0,0,0,0|1,0,0]=2 1787 B14R0.393 CCCCCCCCC=CC(=O)NNC 22a_100016993582_100015345288 [0,1,0,0,0,0|2,0,0]=3 1788 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,1,0,0,0,0|1,0,2]=4 1789 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,1,0,0,0,0|1,0,2]=4 1790 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,1,0,0,0,0|1,0,2]=4 1791 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,1,0,0,0,0|1,0,2]=4 1792 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1793 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1794 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1795 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [0,1,0,0,0,0|1,0,2]=4 1796 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [0,1,0,0,0,0|1,0,2]=4 1797 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [0,1,0,0,0,0|1,0,2]=4 1798 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [0,1,0,0,0,0|1,0,2]=4 1799 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [0,1,0,0,0,0|1,0,2]=4 1800 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [0,1,0,0,0,0|1,0,2]=4 1801 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [0,1,0,0,0,0|1,0,2]=4 1802 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [0,1,0,0,0,0|1,0,2]=4 1803 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [0,1,0,0,0,0|1,0,2]=4 1804 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [0,1,0,0,0,0|1,0,2]=4 1805 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [0,1,0,0,0,0|1,0,2]=4 1806 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,1,0,0,0,0|0,0,2]=3 1807 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,1,0,0,0,0|0,0,2]=3 1808 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [0,1,0,0,0,0|1,0,2]=4 1809 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [0,1,0,0,0,0|1,0,2]=4 1810 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [0,1,0,0,0,0|1,0,2]=4 1811 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [0,1,0,0,0,0|1,0,2]=4 1812 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [0,1,0,0,0,0|1,0,2]=4 1813 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [0,1,0,0,0,0|1,0,2]=4 1814 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [0,1,0,0,0,0|1,0,2]=4 1815 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,1,0,0,0,0|0,0,2]=3 1816 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,1,0,0,0,0|0,0,2]=3 1817 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [0,1,0,0,0,0|1,0,2]=4 1818 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [0,1,0,0,0,0|1,0,2]=4 1819 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [0,1,0,0,0,0|1,0,2]=4 1820 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [0,1,0,0,0,0|1,0,2]=4 1821 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,1,0,0,0,0|0,0,2]=3 1822 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,1,0,0,0,0|0,0,2]=3 1823 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [0,1,0,0,0,0|1,0,2]=4 1824 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [0,1,0,0,0,0|1,0,2]=4 1825 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,1,0,0,0,0|0,0,2]=3 1826 B14R0.393 CCCCCCCNCOC(=O)CCC 2230a_100000229938_100000034017 [0,1,0,0,0,0|2,0,1]=4 1827 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [0,1,0,0,0,0|1,0,2]=4 1828 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,1,0,0,0,0|0,0,2]=3 1829 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,1,0,0,0,0|0,0,2]=3 1830 B14R0.393 CCCCCCCOCOC(=O)CCC 34a_100000210272_100000034017 [0,1,0,0,0,0|2,0,1]=4 1831 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [0,1,0,0,0,0|1,0,2]=4 1832 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [0,1,0,0,0,0|1,0,2]=4 1833 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,1,0,0,0,0|0,0,2]=3 1834 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,1,0,0,0,0|0,0,2]=3 1835 B14R0.393 CCCCCCCSCOC(=O)CCC 62a_100000210614_100000034017 [0,1,0,0,0,0|2,0,1]=4 1836 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,1,0,0,0,0|1,0,1]=3 1837 B14R0.393 CCCCCCNC/C=C/C(=O)OCC 2230a_100000210581_100016267167 [0,1,0,0,0,0|0,0,0]=1 1838 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,1,0,0,0,0|0,0,2]=3 1839 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 34a_100000210259_100016267167 [0,1,0,0,0,0|0,0,0]=1 1840 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 7a_100000210259_100016267167 [0,1,0,0,0,0|0,0,0]=1 1841 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,1,0,0,0,0|0,0,2]=3 1842 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,1,0,0,0,0|0,0,2]=3 1843 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,1,0,0,0,0|0,0,2]=3 1844 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,1,0,0,0,0|1,0,1]=3 1845 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,1,0,0,0,0|1,0,1]=3 1846 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100000210314_100016267167 [0,1,0,0,0,0|0,0,0]=1 1847 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210757 [0,1,0,0,0,0|0,0,0]=1 1848 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,1,0,0,0,0|0,0,2]=3 1849 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,1,0,0,0,0|0,0,2]=3 1850 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,1,0,0,0,0|1,0,1]=3 1851 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,1,0,0,0,0|0,0,2]=3 1852 B14R0.393 CCCCCNCCOCC(=O)NCC 34a_100000224656_100000183381 [0,1,0,0,0,0|2,0,1]=4 1853 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,1,0,0,0,0|1,0,1]=3 1854 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,1,0,0,0,0|1,0,1]=3 1855 B14R0.393 CCCCCNN=CC=CC(=O)OCC 4a_100000694160_100016289910 [0,1,0,0,0,0|1,0,1]=3 1856 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,1,0,0,0,0|0,0,2]=3 1857 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,1,0,0,0,0|0,0,2]=3 1858 B14R0.393 CCCCCOCCOCC(=O)CCC 7a_100011215259_100000747444 [0,1,0,0,0,0|2,0,1]=4 1859 B14R0.393 CCCCCOCCOCC(=O)NCC 34a_100011215259_100000183381 [0,1,0,0,0,0|2,0,1]=4 1860 B14R0.393 CCCCCOCCOCC(=O)NCC 7a_100011215259_100000183381 [0,1,0,0,0,0|2,0,1]=4 1861 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,1,0,0,0,0|1,0,1]=3 1862 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,1,0,0,0,0|1,0,1]=3 1863 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,1,0,0,0,0|1,0,1]=3 1864 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,1,0,0,0,0|1,0,1]=3 1865 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [0,1,0,0,0,0|1,0,1]=3 1866 B14R0.393 CCCCCSCC=NNC(=O)OCC 62a_100000210326_100015372823 [0,1,0,0,0,0|2,0,0]=3 1867 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,1,0,0,0,0|0,0,2]=3 1868 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,1,0,0,0,0|0,0,2]=3 1869 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,1,0,0,0,0|1,0,1]=3 1870 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,1,0,0,0,0|1,0,1]=3 1871 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,1,0,0,0,0|0,0,2]=3 1872 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,1,0,0,0,0|0,0,2]=3 1873 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,1,0,0,0,0|1,0,1]=3 1874 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,1,0,0,0,0|1,0,1]=3 1875 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,1,0,0,0,0|0,0,2]=3 1876 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,1,0,0,0,0|0,0,2]=3 1877 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,1,0,0,0,0|0,0,2]=3 1878 B14R0.393 CCCCOCCCNCC(=O)CCC 2230a_200000211371_100000747444 [0,1,0,0,0,0|2,0,1]=4 1879 B14R0.393 CCCCOCCCNCC(=O)NCC 2230a_200000211371_100000183381 [0,1,0,0,0,0|2,0,1]=4 1880 B14R0.393 CCCCOCCCNCC(=O)NCC 34a_200000211371_100000183381 [0,1,0,0,0,0|2,0,1]=4 1881 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [0,1,0,0,0,0|1,0,1]=3 1882 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [0,1,0,0,0,0|1,0,1]=3 1883 B14R0.393 CCCCOCCCOCC(=O)CCC 7a_200011215613_100000747444 [0,1,0,0,0,0|2,0,1]=4 1884 B14R0.393 CCCCOCCCOCC(=O)NCC 34a_200011215613_100000183381 [0,1,0,0,0,0|2,0,1]=4 1885 B14R0.393 CCCCOCCCOCC(=O)NCC 7a_200011215613_100000183381 [0,1,0,0,0,0|2,0,1]=4 1886 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,1,0,0,0,0|1,0,1]=3 1887 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,1,0,0,0,0|1,0,1]=3 1888 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,1,0,0,0,0|1,0,1]=3 1889 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,1,0,0,0,0|1,0,1]=3 1890 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [0,1,0,0,0,0|1,0,2]=4 1891 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [0,1,0,0,0,0|1,0,2]=4 1892 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [0,1,0,0,0,0|1,0,2]=4 1893 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [0,1,0,0,0,0|1,0,2]=4 1894 B14R0.393 CCCCOCCSCOC(=O)OCC 62a_100000743108_100000075025 [0,1,0,0,0,0|2,0,1]=4 1895 B14R0.393 CCCCOCOCCNC(=O)OCC 34a_100000158857_100011995733 [0,1,0,0,0,0|2,0,1]=4 1896 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100011995733_100016267167 [0,1,0,0,0,0|1,0,0]=2 1897 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100016267167_100011995733 [0,1,0,0,0,0|1,0,0]=2 1898 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [0,1,0,0,0,0|1,0,2]=4 1899 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [0,1,0,0,0,0|1,0,2]=4 1900 B14R0.393 CCCCOCSCCNC(=O)OCC 62a_100011995733_200011445536 [0,1,0,0,0,0|2,0,1]=4 1901 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,1,0,0,0,0|0,0,2]=3 1902 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,1,0,0,0,0|0,0,2]=3 1903 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,1,0,0,0,0|1,0,1]=3 1904 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,1,0,0,0,0|1,0,1]=3 1905 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [0,1,0,0,0,0|1,0,2]=4 1906 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [0,1,0,0,0,0|1,0,2]=4 1907 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [0,1,0,0,0,0|1,0,2]=4 1908 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,1,0,0,0,0|0,0,2]=3 1909 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [0,1,0,0,0,0|1,0,2]=4 1910 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [0,1,0,0,0,0|1,0,2]=4 1911 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 2230a_100161115042_100016267167 [0,1,0,0,0,0|1,0,0]=2 1912 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 34a_100161115042_100016267167 [0,1,0,0,0,0|1,0,0]=2 1913 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [0,1,0,0,0,0|1,0,2]=4 1914 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [0,1,0,0,0,0|1,0,2]=4 1915 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 34a_100000752267_100016267167 [0,1,0,0,0,0|1,0,0]=2 1916 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 7a_100000752267_100016267167 [0,1,0,0,0,0|1,0,0]=2 1917 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [0,1,0,0,0,0|1,0,2]=4 1918 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [0,1,0,0,0,0|1,0,2]=4 1919 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [0,1,0,0,0,0|1,0,2]=4 1920 B14R0.393 CCCOCCOCCNC(=O)OCC 34a_100000158857_100011215938 [0,1,0,0,0,0|2,0,1]=4 1921 B14R0.393 CCCOCCOCCNC(=O)OCC 7a_100000752267_200011445536 [0,1,0,0,0,0|2,0,1]=4 1922 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100011215938_100016267167 [0,1,0,0,0,0|1,0,0]=2 1923 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215938 [0,1,0,0,0,0|1,0,0]=2 1924 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [0,1,0,0,0,0|1,0,2]=4 1925 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [0,1,0,0,0,0|1,0,2]=4 1926 B14R0.393 CCCOCCSCCNC(=O)OCC 62a_100011215938_200011445536 [0,1,0,0,0,0|2,0,1]=4 1927 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,1,0,0,0,0|0,0,2]=3 1928 B14R0.393 CCCSCCNC/C=C/C(=O)OCC 2230a_100020603323_100016267167 [0,1,0,0,0,0|1,0,0]=2 1929 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [0,1,0,0,0,0|1,0,2]=4 1930 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 34a_200000230433_100016267167 [0,1,0,0,0,0|1,0,0]=2 1931 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 7a_200000230433_100016267167 [0,1,0,0,0,0|1,0,0]=2 1932 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [0,1,0,0,0,0|1,0,2]=4 1933 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [0,1,0,0,0,0|1,0,2]=4 1934 B14R0.393 CCCSCCOCCNC(=O)OCC 7a_200000230433_200011445536 [0,1,0,0,0,0|2,0,1]=4 1935 B14R0.393 CCNC(=O)C=CCCCCCCCO 240690a_100015525214_100016988705 [0,1,0,0,0,0|1,0,0]=2 1936 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,1,0,0,0,0|1,0,2]=4 1937 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,1,0,0,0,0|1,0,2]=4 1938 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,1,0,0,0,0|1,0,2]=4 1939 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,1,0,0,0,0|1,0,2]=4 1940 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100011996573_100000183381 [0,1,0,0,0,0|2,0,1]=4 1941 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100016988866_100000760002 [0,1,0,0,0,0|2,0,1]=4 1942 B14R0.393 CCNC(=O)CNCCCCCCCO 34a_100011996573_100000183381 [0,1,0,0,0,0|2,0,1]=4 1943 B14R0.393 CCNC(=O)CNCCCCCCOC 2230a_100016988866_100011998445 [0,1,0,0,0,0|2,0,1]=4 1944 B14R0.393 CCNC(=O)COCCCCCCCBr 34a_100000760002_100000183381 [0,1,0,0,0,0|2,0,1]=4 1945 B14R0.393 CCNC(=O)COCCCCCCCBr 7a_100000760002_100000183381 [0,1,0,0,0,0|2,0,1]=4 1946 B14R0.393 CCNC(=O)COCCCCCCCN 34a_100011996573_100000183381 [0,1,0,0,0,0|2,0,1]=4 1947 B14R0.393 CCNC(=O)COCCCCCCOC 34a_200012092642_100000183381 [0,1,0,0,0,0|2,0,1]=4 1948 B14R0.393 CCNC(=O)COCCCCCCOC 7a_200012092642_100000183381 [0,1,0,0,0,0|2,0,1]=4 1949 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000183381_100000760002 [0,1,0,0,0,0|2,0,1]=4 1950 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000760002_100000183381 [0,1,0,0,0,0|2,0,1]=4 1951 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100000183381_100011998445 [0,1,0,0,0,0|2,0,1]=4 1952 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100011998445_100000183381 [0,1,0,0,0,0|2,0,1]=4 1953 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_100015525214_102515433106 [0,1,0,0,0,0|2,0,1]=4 1954 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_102515433106_100015525214 [0,1,0,0,0,0|2,0,1]=4 1955 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_100015525214_102515433106 [0,1,0,0,0,0|2,0,1]=4 1956 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_102515433106_100015525214 [0,1,0,0,0,0|2,0,1]=4 1957 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_100015525214_102515433106 [0,1,0,0,0,0|2,0,1]=4 1958 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_102515433106_100015525214 [0,1,0,0,0,0|2,0,1]=4 1959 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,1,0,0,0,0|0,0,2]=3 1960 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 2230a_100000762737_100016267167 [0,1,0,0,0,0|1,0,0]=2 1961 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 34a_100000762737_100016267167 [0,1,0,0,0,0|1,0,0]=2 1962 B14R0.393 CCOC(=O)/C=C/CNCCCN=[N+]=[N-] 2230a_100000744732_100016267167 [0,1,0,0,0,0|3,0,0]=4 1963 B14R0.393 CCOC(=O)/C=C/CNCCOCCO 2230a_100000211614_100016267167 [0,1,0,0,0,0|2,0,0]=3 1964 B14R0.393 CCOC(=O)/C=C/CNCCOCCO 34a_100000211614_100016267167 [0,1,0,0,0,0|2,0,0]=3 1965 B14R0.393 CCOC(=O)/C=C/CNCCSCCO 2230a_100011219999_100016267167 [0,1,0,0,0,0|2,0,0]=3 1966 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 34a_100000746331_100016267167 [0,1,0,0,0,0|1,0,0]=2 1967 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 7a_100000746331_100016267167 [0,1,0,0,0,0|1,0,0]=2 1968 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 34a_100000746330_100016267167 [0,1,0,0,0,0|1,0,0]=2 1969 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 7a_100000746330_100016267167 [0,1,0,0,0,0|1,0,0]=2 1970 B14R0.393 CCOC(=O)/C=C/COCCCCCI 34a_200012148887_100016267167 [0,1,0,0,0,0|1,0,0]=2 1971 B14R0.393 CCOC(=O)/C=C/COCCCCCI 7a_200012148887_100016267167 [0,1,0,0,0,0|1,0,0]=2 1972 B14R0.393 CCOC(=O)/C=C/COCCCCCN 34a_100000762737_100016267167 [0,1,0,0,0,0|1,0,0]=2 1973 B14R0.393 CCOC(=O)/C=C/COCCCCOC 34a_100000740925_100016267167 [0,1,0,0,0,0|1,0,0]=2 1974 B14R0.393 CCOC(=O)/C=C/COCCCCSC 34a_100011217163_100016267167 [0,1,0,0,0,0|1,0,0]=2 1975 B14R0.393 CCOC(=O)/C=C/COCCCCSC 7a_100011217163_100016267167 [0,1,0,0,0,0|1,0,0]=2 1976 B14R0.393 CCOC(=O)/C=C/COCCCSCC 34a_100011216438_100016267167 [0,1,0,0,0,0|1,0,0]=2 1977 B14R0.393 CCOC(=O)/C=C/COCCCSCC 7a_100011216438_100016267167 [0,1,0,0,0,0|1,0,0]=2 1978 B14R0.393 CCOC(=O)/C=C/COCCOCCBr 34a_100000692535_100016267167 [0,1,0,0,0,0|2,0,0]=3 1979 B14R0.393 CCOC(=O)/C=C/COCCOCCBr 7a_100000692535_100016267167 [0,1,0,0,0,0|2,0,0]=3 1980 B14R0.393 CCOC(=O)/C=C/COCCOCCCl 34a_100011215305_100016267167 [0,1,0,0,0,0|2,0,0]=3 1981 B14R0.393 CCOC(=O)/C=C/COCCOCCCl 7a_100011215305_100016267167 [0,1,0,0,0,0|2,0,0]=3 1982 B14R0.393 CCOC(=O)/C=C/COCCOCCF 34a_200015357709_100016267167 [0,1,0,0,0,0|2,0,0]=3 1983 B14R0.393 CCOC(=O)/C=C/COCCOCCF 7a_200015357709_100016267167 [0,1,0,0,0,0|2,0,0]=3 1984 B14R0.393 CCOC(=O)/C=C/COCCOCCI 34a_100012149058_100016267167 [0,1,0,0,0,0|2,0,0]=3 1985 B14R0.393 CCOC(=O)/C=C/COCCOCCI 7a_100012149058_100016267167 [0,1,0,0,0,0|2,0,0]=3 1986 B14R0.393 CCOC(=O)/C=C/COCCOCCN 34a_100000211614_100016267167 [0,1,0,0,0,0|2,0,0]=3 1987 B14R0.393 CCOC(=O)/C=C/CSCCCCC#N 62a_100011219923_100016267167 [0,1,0,0,0,0|1,0,1]=3 1988 B14R0.393 CCOC(=O)/C=C/CSCCCCC#N 62a_100016267167_100000211819 [0,1,0,0,0,0|1,0,1]=3 1989 B14R0.393 CCOC(=O)/C=C/CSCCCCC=O 62a_100000139335_100016267167 [0,1,0,0,0,0|1,0,1]=3 1990 B14R0.393 CCOC(=O)/C=C/CSCCCCC=O 62a_100016267167_100000139335 [0,1,0,0,0,0|1,0,1]=3 1991 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100000729378_100016267167 [0,1,0,0,0,0|1,0,0]=2 1992 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100016267167_100000729378 [0,1,0,0,0,0|1,0,0]=2 1993 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100000746330_100016267167 [0,1,0,0,0,0|1,0,0]=2 1994 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100016267167_100000746330 [0,1,0,0,0,0|1,0,0]=2 1995 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100000730899_100016267167 [0,1,0,0,0,0|1,0,0]=2 1996 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100016267167_100000730899 [0,1,0,0,0,0|1,0,0]=2 1997 B14R0.393 CCOC(=O)/C=C/CSCCOCC#N 62a_100016267167_200000047693 [0,1,0,0,0,0|2,0,1]=4 1998 B14R0.393 CCOC(=O)/C=C/CSCCOCC#N 62a_200000047693_100016267167 [0,1,0,0,0,0|2,0,1]=4 1999 B14R0.393 CCOC(=O)/C=C/CSCCOCCO 62a_100011215305_100016267167 [0,1,0,0,0,0|2,0,0]=3 2000 B14R0.393 CCOC(=O)/C=C/CSCCOCCO 62a_100016267167_100011215305 [0,1,0,0,0,0|2,0,0]=3 2001 B14R0.393 CCOC(=O)/C=C/CSCOCCOC 62a_100000231047_100016267167 [0,1,0,0,0,0|2,0,0]=3 2002 B14R0.393 CCOC(=O)/C=C/CSCOCCOC 62a_100016267167_100000231047 [0,1,0,0,0,0|2,0,0]=3 2003 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,1,0,0,0,0|0,0,2]=3 2004 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,1,0,0,0,0|0,0,2]=3 2005 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,1,0,0,0,0|0,0,2]=3 2006 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,1,0,0,0,0|0,0,2]=3 2007 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,1,0,0,0,0|0,0,2]=3 2008 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,1,0,0,0,0|0,0,2]=3 2009 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,1,0,0,0,0|0,0,2]=3 2010 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,1,0,0,0,0|1,0,2]=4 2011 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,1,0,0,0,0|1,0,2]=4 2012 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,1,0,0,0,0|1,0,2]=4 2013 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,1,0,0,0,0|1,0,2]=4 2014 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,1,0,0,0,0|1,0,2]=4 2015 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,1,0,0,0,0|1,0,2]=4 2016 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,1,0,0,0,0|1,0,2]=4 2017 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,1,0,0,0,0|1,0,2]=4 2018 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,1,0,0,0,0|1,0,2]=4 2019 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,1,0,0,0,0|1,0,2]=4 2020 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,1,0,0,0,0|1,0,2]=4 2021 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,1,0,0,0,0|1,0,2]=4 2022 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,1,0,0,0,0|1,0,2]=4 2023 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,1,0,0,0,0|1,0,2]=4 2024 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,1,0,0,0,0|1,0,2]=4 2025 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,1,0,0,0,0|1,0,2]=4 2026 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,1,0,0,0,0|1,0,2]=4 2027 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,1,0,0,0,0|1,0,2]=4 2028 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,1,0,0,0,0|1,0,2]=4 2029 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,1,0,0,0,0|1,0,2]=4 2030 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,1,0,0,0,0|1,0,2]=4 2031 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,1,0,0,0,0|1,0,2]=4 2032 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,1,0,0,0,0|1,0,2]=4 2033 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,1,0,0,0,0|1,0,2]=4 2034 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,1,0,0,0,0|1,0,2]=4 2035 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,1,0,0,0,0|1,0,2]=4 2036 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,1,0,0,0,0|1,0,2]=4 2037 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,1,0,0,0,0|1,0,2]=4 2038 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,1,0,0,0,0|1,0,2]=4 2039 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,1,0,0,0,0|1,0,2]=4 2040 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,1,0,0,0,0|1,0,2]=4 2041 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,1,0,0,0,0|1,0,2]=4 2042 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,1,0,0,0,0|1,0,2]=4 2043 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,1,0,0,0,0|1,0,2]=4 2044 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,1,0,0,0,0|1,0,2]=4 2045 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,1,0,0,0,0|1,0,2]=4 2046 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,1,0,0,0,0|1,0,2]=4 2047 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [0,1,0,0,0,0|1,0,2]=4 2048 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,1,0,0,0,0|1,0,2]=4 2049 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,1,0,0,0,0|1,0,2]=4 2050 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,1,0,0,0,0|1,0,2]=4 2051 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,1,0,0,0,0|1,0,2]=4 2052 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,1,0,0,0,0|1,0,2]=4 2053 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,1,0,0,0,0|1,0,2]=4 2054 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,1,0,0,0,0|1,0,2]=4 2055 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,1,0,0,0,0|1,0,2]=4 2056 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,1,0,0,0,0|1,0,2]=4 2057 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,1,0,0,0,0|1,0,2]=4 2058 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,1,0,0,0,0|1,0,2]=4 2059 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [0,1,0,0,0,0|1,0,2]=4 2060 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [0,1,0,0,0,0|1,0,2]=4 2061 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,1,0,0,0,0|1,0,2]=4 2062 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,1,0,0,0,0|1,0,2]=4 2063 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,1,0,0,0,0|1,0,2]=4 2064 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,1,0,0,0,0|1,0,2]=4 2065 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,1,0,0,0,0|1,0,2]=4 2066 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,1,0,0,0,0|1,0,2]=4 2067 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [0,1,0,0,0,0|1,0,2]=4 2068 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [0,1,0,0,0,0|1,0,2]=4 2069 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,1,0,0,0,0|1,0,2]=4 2070 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,1,0,0,0,0|1,0,2]=4 2071 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,1,0,0,0,0|1,0,2]=4 2072 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,1,0,0,0,0|1,0,2]=4 2073 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,1,0,0,0,0|1,0,2]=4 2074 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,1,0,0,0,0|1,0,2]=4 2075 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,1,0,0,0,0|1,0,2]=4 2076 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,1,0,0,0,0|1,0,2]=4 2077 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,1,0,0,0,0|1,0,2]=4 2078 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,1,0,0,0,0|1,0,2]=4 2079 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,1,0,0,0,0|1,0,2]=4 2080 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,1,0,0,0,0|1,0,2]=4 2081 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,1,0,0,0,0|1,0,2]=4 2082 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,1,0,0,0,0|1,0,2]=4 2083 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,1,0,0,0,0|1,0,2]=4 2084 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [0,1,0,0,0,0|1,0,2]=4 2085 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [0,1,0,0,0,0|1,0,2]=4 2086 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,1,0,0,0,0|1,0,2]=4 2087 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,1,0,0,0,0|1,0,2]=4 2088 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,1,0,0,0,0|1,0,2]=4 2089 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,1,0,0,0,0|1,0,2]=4 2090 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,1,0,0,0,0|1,0,2]=4 2091 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,1,0,0,0,0|1,0,2]=4 2092 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,1,0,0,0,0|1,0,2]=4 2093 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,1,0,0,0,0|1,0,2]=4 2094 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,1,0,0,0,0|1,0,2]=4 2095 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,1,0,0,0,0|1,0,2]=4 2096 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,1,0,0,0,0|1,0,2]=4 2097 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,1,0,0,0,0|1,0,2]=4 2098 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,1,0,0,0,0|1,0,2]=4 2099 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,1,0,0,0,0|1,0,2]=4 2100 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,1,0,0,0,0|1,0,2]=4 2101 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,1,0,0,0,0|1,0,2]=4 2102 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,1,0,0,0,0|1,0,2]=4 2103 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,1,0,0,0,0|1,0,2]=4 2104 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,1,0,0,0,0|1,0,2]=4 2105 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,1,0,0,0,0|1,0,2]=4 2106 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,1,0,0,0,0|1,0,2]=4 2107 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,1,0,0,0,0|1,0,2]=4 2108 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,1,0,0,0,0|1,0,1]=3 2109 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,1,0,0,0,0|1,0,1]=3 2110 B14R0.393 CCOC(=O)CNCCCOCCCO 2230a_100011310245_100000188475 [0,1,0,0,0,0|2,0,1]=4 2111 B14R0.393 CCOC(=O)CNCCCOCCCO 34a_100011310245_100000188475 [0,1,0,0,0,0|2,0,1]=4 2112 B14R0.393 CCOC(=O)CNCCCOCCOC 2230a_100000206027_100000188475 [0,1,0,0,0,0|2,0,1]=4 2113 B14R0.393 CCOC(=O)CNCCCOCCOC 34a_100000206027_100000188475 [0,1,0,0,0,0|2,0,1]=4 2114 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,1,0,0,0,0|1,0,1]=3 2115 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,1,0,0,0,0|1,0,1]=3 2116 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,1,0,0,0,0|1,0,1]=3 2117 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,1,0,0,0,0|1,0,1]=3 2118 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,1,0,0,0,0|1,0,1]=3 2119 B14R0.393 CCOC(=O)COCCCNCCCF 2230a_100015189416_100009893628 [0,1,0,0,0,0|2,0,1]=4 2120 B14R0.393 CCOC(=O)COCCCNCCCF 34a_100015189416_100009893628 [0,1,0,0,0,0|2,0,1]=4 2121 B14R0.393 CCOC(=O)COCCCNCCOC 2230a_100000209980_100009893628 [0,1,0,0,0,0|2,0,1]=4 2122 B14R0.393 CCOC(=O)COCCCNCCSC 2230a_100020590264_100009893628 [0,1,0,0,0,0|2,0,1]=4 2123 B14R0.393 CCOC(=O)COCCCOCCCBr 34a_100011217188_100009893628 [0,1,0,0,0,0|2,0,1]=4 2124 B14R0.393 CCOC(=O)COCCCOCCCCl 34a_100000230001_100009893628 [0,1,0,0,0,0|2,0,1]=4 2125 B14R0.393 CCOC(=O)COCCCOCCCF 34a_100000759539_100009893628 [0,1,0,0,0,0|2,0,1]=4 2126 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100000182051_100009893628 [0,1,0,0,0,0|2,0,1]=4 2127 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100011310245_100000188475 [0,1,0,0,0,0|2,0,1]=4 2128 B14R0.393 CCOC(=O)COCCCOCCOC 34a_100000210237_100009893628 [0,1,0,0,0,0|2,0,1]=4 2129 B14R0.393 CCOC(=O)COCCCOCCSC 34a_100000230434_100009893628 [0,1,0,0,0,0|2,0,1]=4 2130 B14R0.393 CCOC(=O)COCCCOCCSC 7a_100000230434_100009893628 [0,1,0,0,0,0|2,0,1]=4 2131 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100009893628_100011934791 [0,1,0,0,0,0|2,0,1]=4 2132 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100011934791_100009893628 [0,1,0,0,0,0|2,0,1]=4 2133 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100009893628_100011215043 [0,1,0,0,0,0|2,0,1]=4 2134 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100011215043_100009893628 [0,1,0,0,0,0|2,0,1]=4 2135 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100000233755_100009893628 [0,1,0,0,0,0|2,0,1]=4 2136 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100009893628_100000233755 [0,1,0,0,0,0|2,0,1]=4 2137 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100000212216_100009893628 [0,1,0,0,0,0|2,0,1]=4 2138 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100009893628_100000751147 [0,1,0,0,0,0|2,0,1]=4 2139 B14R0.393 CCOC(=O)COCCNCCCCO 2230a_100000750430_100000088970 [0,1,0,0,0,0|2,0,1]=4 2140 B14R0.393 CCOC(=O)COCCNCCCCO 34a_100000750430_100000088970 [0,1,0,0,0,0|2,0,1]=4 2141 B14R0.393 CCOC(=O)COCCNCCCOC 34a_100150723488_100000088970 [0,1,0,0,0,0|2,0,1]=4 2142 B14R0.393 CCOC(=O)COCCNCCCSC 2230a_100000749238_100000088970 [0,1,0,0,0,0|2,0,1]=4 2143 B14R0.393 CCOC(=O)COCCNCCSCC 2230a_100000106463_100000088970 [0,1,0,0,0,0|2,0,1]=4 2144 B14R0.393 CCOC(=O)COCCOCCCCBr 34a_100011216708_100000088970 [0,1,0,0,0,0|2,0,1]=4 2145 B14R0.393 CCOC(=O)COCCOCCCCCl 34a_100000210776_100000088970 [0,1,0,0,0,0|2,0,1]=4 2146 B14R0.393 CCOC(=O)COCCOCCCCCl 7a_100000210776_100000088970 [0,1,0,0,0,0|2,0,1]=4 2147 B14R0.393 CCOC(=O)COCCOCCCCF 34a_100011995726_100000088970 [0,1,0,0,0,0|2,0,1]=4 2148 B14R0.393 CCOC(=O)COCCOCCCCF 7a_100011995726_100000088970 [0,1,0,0,0,0|2,0,1]=4 2149 B14R0.393 CCOC(=O)COCCOCCCCI 34a_200012148704_100000088970 [0,1,0,0,0,0|2,0,1]=4 2150 B14R0.393 CCOC(=O)COCCOCCCCN 34a_100000750430_100000088970 [0,1,0,0,0,0|2,0,1]=4 2151 B14R0.393 CCOC(=O)COCCOCCCNC 34a_100000213112_100000088970 [0,1,0,0,0,0|2,0,1]=4 2152 B14R0.393 CCOC(=O)COCCOCCCOC 34a_100000740835_100000088970 [0,1,0,0,0,0|2,0,1]=4 2153 B14R0.393 CCOC(=O)COCCOCCCSC 34a_100000690336_100000088970 [0,1,0,0,0,0|2,0,1]=4 2154 B14R0.393 CCOC(=O)COCCOCCCSC 7a_100000690336_100000088970 [0,1,0,0,0,0|2,0,1]=4 2155 B14R0.393 CCOC(=O)COCCOCCSCC 34a_100000212035_100000088970 [0,1,0,0,0,0|2,0,1]=4 2156 B14R0.393 CCOC(=O)COCCOCCSCC 7a_100000212035_100000088970 [0,1,0,0,0,0|2,0,1]=4 2157 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000088970_100000729493 [0,1,0,0,0,0|2,0,1]=4 2158 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000729493_100000088970 [0,1,0,0,0,0|2,0,1]=4 2159 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000088970_100000210776 [0,1,0,0,0,0|2,0,1]=4 2160 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000210776_100000088970 [0,1,0,0,0,0|2,0,1]=4 2161 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000088970_100000709357 [0,1,0,0,0,0|2,0,1]=4 2162 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000709357_100000088970 [0,1,0,0,0,0|2,0,1]=4 2163 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000088970_100000757381 [0,1,0,0,0,0|2,0,1]=4 2164 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000757381_100000088970 [0,1,0,0,0,0|2,0,1]=4 2165 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100000188475_100009813337 [0,1,0,0,0,0|1,0,2]=4 2166 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100009813337_100000188475 [0,1,0,0,0,0|1,0,2]=4 2167 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,1,0,0,0,0|1,0,1]=3 2168 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,1,0,0,0,0|1,0,1]=3 2169 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,1,0,0,0,0|1,0,1]=3 2170 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,1,0,0,0,0|1,0,1]=3 2171 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100000188475_100011216529 [0,1,0,0,0,0|2,0,1]=4 2172 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100011216529_100000188475 [0,1,0,0,0,0|2,0,1]=4 2173 B14R0.393 CCOC(=O)CSCCOCCCCF 7a_200000230590_100000729493 [0,1,0,0,0,0|2,0,1]=4 2174 B14R0.393 CCOC(=O)CSCCOCCCCO 7a_200000230590_100000210776 [0,1,0,0,0,0|2,0,1]=4 2175 B14R0.393 CCOC(=O)CSCCOCCCOC 7a_200000230590_100000740836 [0,1,0,0,0,0|2,0,1]=4 2176 B14R0.393 CCOC(=O)CSCCOCCSCC 7a_200000230590_100000757381 [0,1,0,0,0,0|2,0,1]=4 2177 B14R0.393 CCOC(=O)NCCOCCCCCBr 7a_100000746331_200011445536 [0,1,0,0,0,0|2,0,1]=4 2178 B14R0.393 CCOC(=O)NCCOCCCCCCl 7a_100000746330_200011445536 [0,1,0,0,0,0|2,0,1]=4 2179 B14R0.393 CCOC(=O)NCCOCCCCCF 34a_100000158857_100000729378 [0,1,0,0,0,0|2,0,1]=4 2180 B14R0.393 CCOC(=O)NCCOCCCCCI 7a_200012148887_200011445536 [0,1,0,0,0,0|2,0,1]=4 2181 B14R0.393 CCOC(=O)NCCOCCCCCO 34a_100000158857_100000746330 [0,1,0,0,0,0|2,0,1]=4 2182 B14R0.393 CCOC(=O)NCCOCCCCOC 34a_100000158857_100000755781 [0,1,0,0,0,0|2,0,1]=4 2183 B14R0.393 CCOC(=O)NCCOCCCCSC 7a_100011217163_200011445536 [0,1,0,0,0,0|2,0,1]=4 2184 B14R0.393 CCOC(=O)NCCOCCCSCC 7a_100011216438_200011445536 [0,1,0,0,0,0|2,0,1]=4 2185 B14R0.393 CCOC(=O)NCCSCCCCCF 62a_100000729378_200011445536 [0,1,0,0,0,0|2,0,1]=4 2186 B14R0.393 CCOC(=O)NCCSCCCCCO 62a_100000746330_200011445536 [0,1,0,0,0,0|2,0,1]=4 2187 B14R0.393 CCOC(=O)NCCSCCCCOC 62a_100000730899_200011445536 [0,1,0,0,0,0|2,0,1]=4 2188 B14R0.393 CCOC(=O)NN=CCSCCCCF 62a_100000729493_100015372823 [0,1,0,0,0,0|3,0,0]=4 2189 B14R0.393 CCOC(=O)NN=CCSCCCCO 62a_100000210776_100015372823 [0,1,0,0,0,0|3,0,0]=4 2190 B14R0.393 CCOC(=O)NN=CCSCCCOC 62a_100000709357_100015372823 [0,1,0,0,0,0|3,0,0]=4 2191 B14R0.393 CCOC(=O)NN=CCSCCSCC 62a_100000757381_100015372823 [0,1,0,0,0,0|3,0,0]=4 2192 B14R0.393 CCOC(=O)OCSCCCCCCF 62a_100015922095_100000075025 [0,1,0,0,0,0|2,0,1]=4 2193 B14R0.393 CCOC(=O)OCSCCCCCCO 62a_100000766143_100000075025 [0,1,0,0,0,0|2,0,1]=4 2194 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,1,0,0,0,0|0,0,2]=3 2195 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 2230a_100000210961_100016267167 [0,1,0,0,0,0|1,0,0]=2 2196 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 34a_100000210961_100016267167 [0,1,0,0,0,0|1,0,0]=2 2197 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [0,1,0,0,0,0|1,0,2]=4 2198 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [0,1,0,0,0,0|1,0,2]=4 2199 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 34a_100000757476_100016267167 [0,1,0,0,0,0|1,0,0]=2 2200 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 7a_100000757476_100016267167 [0,1,0,0,0,0|1,0,0]=2 2201 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [0,1,0,0,0,0|1,0,2]=4 2202 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [0,1,0,0,0,0|1,0,2]=4 2203 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [0,1,0,0,0,0|1,0,2]=4 2204 B14R0.393 CCOCCCOCCNC(=O)OCC 34a_100000158857_100012232248 [0,1,0,0,0,0|2,0,1]=4 2205 B14R0.393 CCOCCCOCCNC(=O)OCC 7a_100000757476_200011445536 [0,1,0,0,0,0|2,0,1]=4 2206 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100012232248_100016267167 [0,1,0,0,0,0|1,0,0]=2 2207 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100016267167_100012232248 [0,1,0,0,0,0|1,0,0]=2 2208 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [0,1,0,0,0,0|1,0,2]=4 2209 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [0,1,0,0,0,0|1,0,2]=4 2210 B14R0.393 CCOCCCSCCNC(=O)OCC 62a_100012232248_200011445536 [0,1,0,0,0,0|2,0,1]=4 2211 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [0,1,0,0,0,0|1,0,2]=4 2212 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [0,1,0,0,0,0|1,0,2]=4 2213 B14R0.393 CCOCCNCCOCC(=O)OCC 2230a_102516460346_100000088970 [0,1,0,0,0,0|2,0,1]=4 2214 B14R0.393 CCOCCNCCOCC(=O)OCC 34a_102516460346_100000088970 [0,1,0,0,0,0|2,0,1]=4 2215 B14R0.393 CCOCCNN=CC=CC(=O)OCC 4a_100000732670_100016289910 [0,1,0,0,0,0|2,0,1]=4 2216 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [0,1,0,0,0,0|1,0,2]=4 2217 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [0,1,0,0,0,0|1,0,2]=4 2218 B14R0.393 CCOCCOCCNCC(=O)OCC 2230a_100102712874_100000188475 [0,1,0,0,0,0|2,0,1]=4 2219 B14R0.393 CCOCCOCCNCC(=O)OCC 34a_100102712874_100000188475 [0,1,0,0,0,0|2,0,1]=4 2220 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210136_100000088970 [0,1,0,0,0,0|2,0,1]=4 2221 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210240_100000188475 [0,1,0,0,0,0|2,0,1]=4 2222 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210136_100000088970 [0,1,0,0,0,0|2,0,1]=4 2223 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210240_100000188475 [0,1,0,0,0,0|2,0,1]=4 2224 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100000188475_100011211534 [0,1,0,0,0,0|2,0,1]=4 2225 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100011211534_100000188475 [0,1,0,0,0,0|2,0,1]=4 2226 B14R0.393 CCOCCOCCSCC(=O)OCC 7a_200000230590_100011215890 [0,1,0,0,0,0|2,0,1]=4 2227 B14R0.393 CCOCCSCC=NNC(=O)OCC 62a_100000210147_100015372823 [0,1,0,0,0,0|3,0,0]=4 2228 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [0,1,0,0,0,0|1,0,2]=4 2229 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [0,1,0,0,0,0|1,0,2]=4 2230 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000088970_100011215890 [0,1,0,0,0,0|2,0,1]=4 2231 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000210147_100000088970 [0,1,0,0,0,0|2,0,1]=4 2232 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [0,1,0,0,0,0|1,0,2]=4 2233 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [0,1,0,0,0,0|1,0,2]=4 2234 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100000739092_100009893628 [0,1,0,0,0,0|2,0,1]=4 2235 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100009893628_100000739092 [0,1,0,0,0,0|2,0,1]=4 2236 B14R0.393 CNNC(=O)C=CCCCCCCCO 22a_100016993582_100016988705 [0,1,0,0,0,0|2,0,0]=3 2237 B14R0.432 CCCC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747444 [0,1,0,0,0,0|2,0,1]=4 2238 B14R0.432 CCCC(=O)COCCCCCC(C)C 7a_100011995859_100000747444 [0,1,0,0,0,0|2,0,1]=4 2239 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747444 [0,1,0,0,0,0|2,0,1]=4 2240 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000747444_100000210682 [0,1,0,0,0,0|2,0,1]=4 2241 B14R0.432 CCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211992 [0,1,0,0,0,0|2,0,1]=4 2242 B14R0.432 CCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211992 [0,1,0,0,0,0|2,0,1]=4 2243 B14R0.432 CCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211992 [0,1,0,0,0,0|2,0,1]=4 2244 B14R0.432 CCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211992 [0,1,0,0,0,0|2,0,1]=4 2245 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183381 [0,1,0,0,0,0|2,0,1]=4 2246 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100016988866_100000210682 [0,1,0,0,0,0|2,0,1]=4 2247 B14R0.432 CCNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183381 [0,1,0,0,0,0|2,0,1]=4 2248 B14R0.432 CCNC(=O)COCCCCCC(C)C 34a_100011995859_100000183381 [0,1,0,0,0,0|2,0,1]=4 2249 B14R0.432 CCNC(=O)COCCCCCC(C)C 7a_100011995859_100000183381 [0,1,0,0,0,0|2,0,1]=4 2250 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000183381_100000210682 [0,1,0,0,0,0|2,0,1]=4 2251 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183381 [0,1,0,0,0,0|2,0,1]=4 2252 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100000211014_100015525214 [0,1,0,0,0,0|2,0,1]=4 2253 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100015525214_100000211014 [0,1,0,0,0,0|2,0,1]=4 2254 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100000211014_100015525214 [0,1,0,0,0,0|2,0,1]=4 2255 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100015525214_100000211014 [0,1,0,0,0,0|2,0,1]=4 2256 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100000211014_100015525214 [0,1,0,0,0,0|2,0,1]=4 2257 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100015525214_100000211014 [0,1,0,0,0,0|2,0,1]=4 2258 B14R0.432 CCOC(=O)/C=C/CNCCCC(=O)N 34a_100000739312_100016267167 [0,1,0,0,0,0|2,0,1]=4 2259 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100016267167 [0,1,0,0,0,0|1,0,0]=2 2260 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100016267167 [0,1,0,0,0,0|1,0,0]=2 2261 B14R0.432 CCOC(=O)/C=C/CNCCCS(=O)C 2230a_200000753449_100016267167 [0,1,0,0,0,0|2,0,0]=3 2262 B14R0.432 CCOC(=O)/C=C/CNCCNC(=O)C 2230a_100000209853_100016267167 [0,1,0,0,0,0|2,0,1]=4 2263 B14R0.432 CCOC(=O)/C=C/CNCCOC(C)C 2230a_100000701111_100016267167 [0,1,0,0,0,0|2,0,0]=3 2264 B14R0.432 CCOC(=O)/C=C/CNCCOC(C)C 34a_100000701111_100016267167 [0,1,0,0,0,0|2,0,0]=3 2265 B14R0.432 CCOC(=O)/C=C/CNCCSC(C)C 2230a_100000731138_100016267167 [0,1,0,0,0,0|2,0,0]=3 2266 B14R0.432 CCOC(=O)/C=C/CNCCSC(C)C 34a_100000731138_100016267167 [0,1,0,0,0,0|2,0,0]=3 2267 B14R0.432 CCOC(=O)/C=C/COCCCC(=O)C 34a_100000759063_100016267167 [0,1,0,0,0,0|1,0,1]=3 2268 B14R0.432 CCOC(=O)/C=C/COCCCC(=O)C 7a_100000759063_100016267167 [0,1,0,0,0,0|1,0,1]=3 2269 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 34a_100000210774_100016267167 [0,1,0,0,0,0|1,0,0]=2 2270 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 7a_100000210774_100016267167 [0,1,0,0,0,0|1,0,0]=2 2271 B14R0.432 CCOC(=O)/C=C/COCCC[N+](=O)[O-] 34a_200000037920_100016267167 [0,1,0,0,0,0|3,0,0]=4 2272 B14R0.432 CCOC(=O)/C=C/COCCNC(=O)C 34a_100000158858_100016267167 [0,1,0,0,0,0|2,0,1]=4 2273 B14R0.432 CCOC(=O)/C=C/COCCNC(C)C 34a_100000224655_100016267167 [0,1,0,0,0,0|2,0,0]=3 2274 B14R0.432 CCOC(=O)/C=C/COCCOC(C)C 34a_100000211219_100016267167 [0,1,0,0,0,0|2,0,0]=3 2275 B14R0.432 CCOC(=O)/C=C/COCCOC(C)C 7a_100000211219_100016267167 [0,1,0,0,0,0|2,0,0]=3 2276 B14R0.432 CCOC(=O)/C=C/COCCSC(C)C 34a_200011212901_100016267167 [0,1,0,0,0,0|2,0,0]=3 2277 B14R0.432 CCOC(=O)/C=C/COCCSC(C)C 7a_200011212901_100016267167 [0,1,0,0,0,0|2,0,0]=3 2278 B14R0.432 CCOC(=O)/C=C/CSCCC=C(C)C 62a_100011217483_100016267167 [0,1,0,0,0,0|1,0,2]=4 2279 B14R0.432 CCOC(=O)/C=C/CSCCC=C(C)C 62a_100016267167_100011217483 [0,1,0,0,0,0|1,0,2]=4 2280 B14R0.432 CCOC(=O)/C=C/CSCCCC(=O)C 62a_100011215641_100016267167 [0,1,0,0,0,0|1,0,1]=3 2281 B14R0.432 CCOC(=O)/C=C/CSCCCC(=O)C 62a_100016267167_100011215641 [0,1,0,0,0,0|1,0,1]=3 2282 B14R0.432 CCOC(=O)/C=C/CSCCCC(=O)N 62a_100016267167_100102525003 [0,1,0,0,0,0|2,0,1]=4 2283 B14R0.432 CCOC(=O)/C=C/CSCCCC(=O)N 62a_100102525003_100016267167 [0,1,0,0,0,0|2,0,1]=4 2284 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100016267167 [0,1,0,0,0,0|1,0,0]=2 2285 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100016267167_100011214892 [0,1,0,0,0,0|1,0,0]=2 2286 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_100016267167_200000718107 [0,1,0,0,0,0|1,0,0]=2 2287 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100016267167 [0,1,0,0,0,0|1,0,0]=2 2288 B14R0.432 CCOC(=O)/C=C/CSCCCN(C)C 62a_100016267167_100000757444 [0,1,0,0,0,0|2,0,0]=3 2289 B14R0.432 CCOC(=O)/C=C/CSCCNC(=O)C 62a_100000189650_100016267167 [0,1,0,0,0,0|2,0,1]=4 2290 B14R0.432 CCOC(=O)/C=C/CSCCNC(=O)C 62a_100016267167_100000189650 [0,1,0,0,0,0|2,0,1]=4 2291 B14R0.432 CCOC(=O)/C=C/CSCCOC(=O)C 62a_100009814007_100016267167 [0,1,0,0,0,0|2,0,1]=4 2292 B14R0.432 CCOC(=O)/C=C/CSCCOC(=O)C 62a_100016267167_100009814007 [0,1,0,0,0,0|2,0,1]=4 2293 B14R0.432 CCOC(=O)/C=C/CSCCOC(C)C 62a_100000211751_100016267167 [0,1,0,0,0,0|2,0,0]=3 2294 B14R0.432 CCOC(=O)/C=C/CSCCOC(C)C 62a_100016267167_100000211751 [0,1,0,0,0,0|2,0,0]=3 2295 B14R0.432 CCOC(=O)/C=C/CSCCSC(C)C 62a_100000730970_100016267167 [0,1,0,0,0,0|2,0,0]=3 2296 B14R0.432 CCOC(=O)/C=C/CSCCSC(C)C 62a_100016267167_100000730970 [0,1,0,0,0,0|2,0,0]=3 2297 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,1,0,0,0,0|0,0,3]=4 2298 B14R0.432 CCOC(=O)CCCCCCCN(C)C 2230a_100102631434_100009991516 [0,1,0,0,0,0|1,0,2]=4 2299 B14R0.432 CCOC(=O)CCCCCCCN(C)C 269982a_100102631434_100009991516 [0,1,0,0,0,0|1,0,2]=4 2300 B14R0.432 CCOC(=O)CCCCCCNC(C)C 2230a_100138425928_100009814379 [0,1,0,0,0,0|1,0,2]=4 2301 B14R0.432 CCOC(=O)CCCCCCNC(C)C 34a_100138425928_100009814379 [0,1,0,0,0,0|1,0,2]=4 2302 B14R0.432 CCOC(=O)CCCCCCOC(C)C 34a_100000212225_100009814379 [0,1,0,0,0,0|1,0,2]=4 2303 B14R0.432 CCOC(=O)CCCCCCSC(C)C 62a_100000210206_100009814379 [0,1,0,0,0,0|1,0,2]=4 2304 B14R0.432 CCOC(=O)CCCCCNCC(C)C 2230a_100000210953_100000755133 [0,1,0,0,0,0|1,0,2]=4 2305 B14R0.432 CCOC(=O)CCCCCNCC(C)C 34a_100000210953_100000755133 [0,1,0,0,0,0|1,0,2]=4 2306 B14R0.432 CCOC(=O)CCCCCNCC(C)O 2230a_100000210904_100000755133 [0,1,0,0,0,0|1,0,2]=4 2307 B14R0.432 CCOC(=O)CCCCCNCC(C)O 34a_100000210904_100000755133 [0,1,0,0,0,0|1,0,2]=4 2308 B14R0.432 CCOC(=O)CCCCCOCC(C)Br 34a_100012180447_100000755133 [0,1,0,0,0,0|1,0,2]=4 2309 B14R0.432 CCOC(=O)CCCCCOCC(C)C 34a_100000210257_100000755133 [0,1,0,0,0,0|1,0,2]=4 2310 B14R0.432 CCOC(=O)CCCCCOCC(C)C 7a_100011214988_100000210760 [0,1,0,0,0,0|1,0,2]=4 2311 B14R0.432 CCOC(=O)CCCCCOCC(C)F 34a_100015925927_100000755133 [0,1,0,0,0,0|1,0,2]=4 2312 B14R0.432 CCOC(=O)CCCCCOCC(C)O 7a_100011214988_100011218427 [0,1,0,0,0,0|1,0,2]=4 2313 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000755133 [0,1,0,0,0,0|1,0,2]=4 2314 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100000755133 [0,1,0,0,0,0|1,0,2]=4 2315 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)O 7a_100011214988_100009817552 [0,1,0,0,0,0|1,0,2]=4 2316 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000210624_100000755133 [0,1,0,0,0,0|1,0,2]=4 2317 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000755133_100000210760 [0,1,0,0,0,0|1,0,2]=4 2318 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100000755133_100011218427 [0,1,0,0,0,0|1,0,2]=4 2319 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100011218427_100000755133 [0,1,0,0,0,0|1,0,2]=4 2320 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100000755133_100009817552 [0,1,0,0,0,0|1,0,2]=4 2321 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100000755133 [0,1,0,0,0,0|1,0,2]=4 2322 B14R0.432 CCOC(=O)CCCCNCCC(C)O 2230a_200000755665_100000750268 [0,1,0,0,0,0|1,0,2]=4 2323 B14R0.432 CCOC(=O)CCCCOCCC(C)Br 34a_100009893172_100000750268 [0,1,0,0,0,0|1,0,2]=4 2324 B14R0.432 CCOC(=O)CCCCOCCC(C)C 34a_100000210254_100000750268 [0,1,0,0,0,0|1,0,2]=4 2325 B14R0.432 CCOC(=O)CCCCOCCC(C)C 7a_100000210254_100000750268 [0,1,0,0,0,0|1,0,2]=4 2326 B14R0.432 CCOC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000750268 [0,1,0,0,0,0|1,0,2]=4 2327 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000210312_100000750268 [0,1,0,0,0,0|1,0,2]=4 2328 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000750268_100000210312 [0,1,0,0,0,0|1,0,2]=4 2329 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100000750268_100012276601 [0,1,0,0,0,0|1,0,2]=4 2330 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100012276601_100000750268 [0,1,0,0,0,0|1,0,2]=4 2331 B14R0.432 CCOC(=O)CCCNCCCC(C)C 2230a_200000737386_100009991533 [0,1,0,0,0,0|1,0,2]=4 2332 B14R0.432 CCOC(=O)CCCNCCCC(C)C 34a_200000737386_100009991533 [0,1,0,0,0,0|1,0,2]=4 2333 B14R0.432 CCOC(=O)CCCOCCCC(C)C 34a_100000210774_100009991533 [0,1,0,0,0,0|1,0,2]=4 2334 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100000210774_100011215271 [0,1,0,0,0,0|1,0,2]=4 2335 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100012001163_100011214892 [0,1,0,0,0,0|1,0,2]=4 2336 B14R0.432 CCOC(=O)CCCOCCCC(C)O 7a_100012001163_200000718107 [0,1,0,0,0,0|1,0,2]=4 2337 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100009991533_100011214892 [0,1,0,0,0,0|1,0,2]=4 2338 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100011214892_100009991533 [0,1,0,0,0,0|1,0,2]=4 2339 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_100009991533_200000718107 [0,1,0,0,0,0|1,0,2]=4 2340 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_200000718107_100009991533 [0,1,0,0,0,0|1,0,2]=4 2341 B14R0.432 CCOC(=O)CCOCCCCC(C)C 34a_100011214890_100000765890 [0,1,0,0,0,0|1,0,2]=4 2342 B14R0.432 CCOC(=O)CCOCCCCC(C)C 7a_100011214890_100011206558 [0,1,0,0,0,0|1,0,2]=4 2343 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100000765890_100011216152 [0,1,0,0,0,0|1,0,2]=4 2344 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100011216152_100000765890 [0,1,0,0,0,0|1,0,2]=4 2345 B14R0.432 CCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000188475 [0,1,0,0,0,0|1,0,1]=3 2346 B14R0.432 CCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000188475 [0,1,0,0,0,0|1,0,1]=3 2347 B14R0.432 CCOC(=O)CNCCCOCC(C)C 2230a_100000205972_100000188475 [0,1,0,0,0,0|2,0,1]=4 2348 B14R0.432 CCOC(=O)CNCCCOCC(C)C 34a_100000205972_100000188475 [0,1,0,0,0,0|2,0,1]=4 2349 B14R0.432 CCOC(=O)COCCCCCC(C)C 34a_100011995859_100000188475 [0,1,0,0,0,0|1,0,1]=3 2350 B14R0.432 CCOC(=O)COCCCCCC(C)C 7a_100011995859_100000188475 [0,1,0,0,0,0|1,0,1]=3 2351 B14R0.432 CCOC(=O)COCCCCNC(C)C 34a_100011521146_100000188475 [0,1,0,0,0,0|2,0,1]=4 2352 B14R0.432 CCOC(=O)COCCCNCC(C)C 2230a_100000210953_100009893628 [0,1,0,0,0,0|2,0,1]=4 2353 B14R0.432 CCOC(=O)COCCCNCC(C)C 34a_100000210953_100009893628 [0,1,0,0,0,0|2,0,1]=4 2354 B14R0.432 CCOC(=O)COCCCNCC(C)O 2230a_100000210904_100009893628 [0,1,0,0,0,0|2,0,1]=4 2355 B14R0.432 CCOC(=O)COCCCNCC(C)O 34a_100000210904_100009893628 [0,1,0,0,0,0|2,0,1]=4 2356 B14R0.432 CCOC(=O)COCCCOCC(C)Br 34a_100012180447_100009893628 [0,1,0,0,0,0|2,0,1]=4 2357 B14R0.432 CCOC(=O)COCCCOCC(C)C 34a_100000210257_100009893628 [0,1,0,0,0,0|2,0,1]=4 2358 B14R0.432 CCOC(=O)COCCCOCC(C)F 34a_100015925927_100009893628 [0,1,0,0,0,0|2,0,1]=4 2359 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)Cl 34a_100016084084_100009893628 [0,1,0,0,0,0|2,0,1]=4 2360 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)N 34a_100000737577_100009893628 [0,1,0,0,0,0|2,0,1]=4 2361 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100000210624_100009893628 [0,1,0,0,0,0|2,0,1]=4 2362 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100009893628_100000210760 [0,1,0,0,0,0|2,0,1]=4 2363 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100009893628_100011218427 [0,1,0,0,0,0|2,0,1]=4 2364 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100011218427_100009893628 [0,1,0,0,0,0|2,0,1]=4 2365 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009817552_100009893628 [0,1,0,0,0,0|2,0,1]=4 2366 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009893628_100009817552 [0,1,0,0,0,0|2,0,1]=4 2367 B14R0.432 CCOC(=O)COCCNCCC(C)O 2230a_200000755665_100000088970 [0,1,0,0,0,0|2,0,1]=4 2368 B14R0.432 CCOC(=O)COCCOCCC(C)Br 34a_100009893172_100000088970 [0,1,0,0,0,0|2,0,1]=4 2369 B14R0.432 CCOC(=O)COCCOCCC(C)C 34a_100000210254_100000088970 [0,1,0,0,0,0|2,0,1]=4 2370 B14R0.432 CCOC(=O)COCCOCCC(C)C 7a_100000210254_100000088970 [0,1,0,0,0,0|2,0,1]=4 2371 B14R0.432 CCOC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000088970 [0,1,0,0,0,0|2,0,1]=4 2372 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000088970_100000210312 [0,1,0,0,0,0|2,0,1]=4 2373 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000210312_100000088970 [0,1,0,0,0,0|2,0,1]=4 2374 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100000088970_100012276601 [0,1,0,0,0,0|2,0,1]=4 2375 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100012276601_100000088970 [0,1,0,0,0,0|2,0,1]=4 2376 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000188475_100000210682 [0,1,0,0,0,0|1,0,1]=3 2377 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000188475 [0,1,0,0,0,0|1,0,1]=3 2378 B14R0.432 CCOC(=O)CSCCOCCC(C)C 7a_200000230590_100000210626 [0,1,0,0,0,0|2,0,1]=4 2379 B14R0.432 CCOC(=O)CSCCOCCC(C)O 7a_200000230590_100012276601 [0,1,0,0,0,0|2,0,1]=4 2380 B14R0.432 CCOC(=O)NCCOCCCC(C)C 34a_100000158857_100011214892 [0,1,0,0,0,0|2,0,1]=4 2381 B14R0.432 CCOC(=O)NCCOCCCC(C)C 7a_100000210774_200011445536 [0,1,0,0,0,0|2,0,1]=4 2382 B14R0.432 CCOC(=O)NCCOCCCC(C)O 34a_100000158857_200000718107 [0,1,0,0,0,0|2,0,1]=4 2383 B14R0.432 CCOC(=O)NCCSCCCC(C)C 62a_100011214892_200011445536 [0,1,0,0,0,0|2,0,1]=4 2384 B14R0.432 CCOC(=O)NCCSCCCC(C)O 62a_200000718107_200011445536 [0,1,0,0,0,0|2,0,1]=4 2385 B14R0.432 CCOC(=O)OCSCCCCC(C)C 62a_100011216152_100000075025 [0,1,0,0,0,0|2,0,1]=4 2386 B14R0.493 C#CCCC(=O)C=CCCCCCCC 1458a_200015332781_100000753159 [0,1,0,0,0,0|1,0,1]=3 2387 B14R0.493 C#CCNC(=O)C=CCCCCCCC 11a_100000212058_200015332781 [0,1,0,0,0,0|1,0,1]=3 2388 B14R0.493 C#CCNC(=O)C=CCCCCCCC 1626a_100000212058_200015332781 [0,1,0,0,0,0|1,0,1]=3 2389 B14R0.493 C#CCNC(=O)C=CCCCCCCC 240690a_100000212058_200015332781 [0,1,0,0,0,0|1,0,1]=3 2390 B14R0.493 C/C=C/CC(=O)C=CCCCCCCC 1458a_200015332781_100102629194 [0,1,0,0,0,0|1,0,1]=3 2391 B14R0.493 C=C(COCCCCCCC)OCOC 34a_100000210272_100000042856 [0,1,0,0,0,0|2,0,1]=4 2392 B14R0.493 C=C(CSCCCCCCC)OCOC 62a_100000042856_100000210316 [0,1,0,0,0,0|2,0,1]=4 2393 B14R0.493 C=C(CSCCCCCCC)OCOC 62a_100000210614_100000042856 [0,1,0,0,0,0|2,0,1]=4 2394 B14R0.493 C=CCCC(=O)C=CCCCCCCC 1458a_200015332781_100000754431 [0,1,0,0,0,0|1,0,1]=3 2395 B14R0.493 C=CCNC(=O)C=CCCCCCCC 1626a_100020586998_200015332781 [0,1,0,0,0,0|1,0,1]=3 2396 B14R0.493 C=CCNC(=O)C=CCCCCCCC 240690a_100020586998_200015332781 [0,1,0,0,0,0|1,0,1]=3 2397 B14R0.493 C=CCOC(=O)CNCCCCCCC 2230a_100000229938_100000033060 [0,1,0,0,0,0|1,0,2]=4 2398 B14R0.493 C=CCOC(=O)COCCCCCCC 34a_100000210272_100000033060 [0,1,0,0,0,0|1,0,2]=4 2399 B14R0.493 C=CCOC(=O)COCCCCCCC 7a_100000210272_100000033060 [0,1,0,0,0,0|1,0,2]=4 2400 B14R0.493 C=CCOC(=O)CSCCCCCCC 62a_100000033060_100000210316 [0,1,0,0,0,0|1,0,2]=4 2401 B14R0.493 C=CCOC(=O)CSCCCCCCC 62a_100000210614_100000033060 [0,1,0,0,0,0|1,0,2]=4 2402 B14R0.493 CC#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000748600 [0,1,0,0,0,0|1,0,1]=3 2403 B14R0.493 CC=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000070051 [0,1,0,0,0,0|1,0,1]=3 2404 B14R0.493 CCC#CC(=O)CCCCCCCCC 1458a_100011827653_100000210670 [0,1,0,0,0,0|1,0,2]=4 2405 B14R0.493 CCC=CC(=O)CCCCCCCCC 1458a_100000212282_100000210670 [0,1,0,0,0,0|1,0,2]=4 2406 B14R0.493 CCC=CC(=O)NCCCCCCCC 11a_100000229939_100000212282 [0,1,0,0,0,0|2,0,1]=4 2407 B14R0.493 CCC=CC(=O)NCCCCCCCC 1626a_100000229939_100000212282 [0,1,0,0,0,0|2,0,1]=4 2408 B14R0.493 CCC=CC(=O)NCCCCCCCC 240690a_100000229939_100000212282 [0,1,0,0,0,0|2,0,1]=4 2409 B14R0.493 CCCCCC/C=C/CC(=O)CCCC 1458a_100020681715_100000210211 [0,1,0,0,0,0|1,0,2]=4 2410 B14R0.493 CCCCCC/C=C/CC(=O)CCCF 1458a_100020681715_100011934791 [0,1,0,0,0,0|1,0,2]=4 2411 B14R0.493 CCCCCC/C=C/CC(=O)CCCO 1458a_100020681715_100011215043 [0,1,0,0,0,0|1,0,2]=4 2412 B14R0.493 CCCCCC/C=C/CC(=O)CCOC 1458a_100020681715_100000233755 [0,1,0,0,0,0|1,0,2]=4 2413 B14R0.493 CCCCCC/C=C/CC(=O)CCSC 1458a_100020681715_100000751147 [0,1,0,0,0,0|1,0,2]=4 2414 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 2415 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 2416 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 2417 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 2418 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 2419 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 2420 B14R0.493 CCCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020681715 [0,1,0,0,0,0|1,0,2]=4 2421 B14R0.493 CCCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020681715 [0,1,0,0,0,0|1,0,2]=4 2422 B14R0.493 CCCCCCC=NNC(=O)COCC 4a_100000216846_100000234349 [0,1,0,0,0,0|2,0,1]=4 2423 B14R0.493 CCCCCCCC=CC(=O)CCC#N 1458a_200015332781_100011215226 [0,1,0,0,0,0|1,0,1]=3 2424 B14R0.493 CCCCCCCC=CC(=O)CCCC 1458a_200015332781_100000210211 [0,1,0,0,0,0|1,0,0]=2 2425 B14R0.493 CCCCCCCC=CC(=O)CCCF 1458a_200015332781_100011934791 [0,1,0,0,0,0|1,0,0]=2 2426 B14R0.493 CCCCCCCC=CC(=O)CCCO 1458a_200015332781_100011215043 [0,1,0,0,0,0|1,0,0]=2 2427 B14R0.493 CCCCCCCC=CC(=O)CCOC 1458a_200015332781_100000233755 [0,1,0,0,0,0|1,0,0]=2 2428 B14R0.493 CCCCCCCC=CC(=O)CCSC 1458a_200015332781_100000751147 [0,1,0,0,0,0|1,0,0]=2 2429 B14R0.493 CCCCCCCC=CC(=O)NCC#N 1626a_100000734998_200015332781 [0,1,0,0,0,0|1,0,1]=3 2430 B14R0.493 CCCCCCCC=CC(=O)NCCC 11a_100020643023_200015332781 [0,1,0,0,0,0|1,0,0]=2 2431 B14R0.493 CCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015332781 [0,1,0,0,0,0|1,0,0]=2 2432 B14R0.493 CCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015332781 [0,1,0,0,0,0|1,0,0]=2 2433 B14R0.493 CCCCCCCC=CC(=O)NCCF 11a_100000724931_200015332781 [0,1,0,0,0,0|1,0,0]=2 2434 B14R0.493 CCCCCCCC=CC(=O)NCCF 1626a_100000724931_200015332781 [0,1,0,0,0,0|1,0,0]=2 2435 B14R0.493 CCCCCCCC=CC(=O)NCCF 240690a_100000724931_200015332781 [0,1,0,0,0,0|1,0,0]=2 2436 B14R0.493 CCCCCCCC=CC(=O)NCCO 240690a_100000210304_200015332781 [0,1,0,0,0,0|1,0,0]=2 2437 B14R0.493 CCCCCCCC=CC(=O)NNCC 22a_100000756455_200015332781 [0,1,0,0,0,0|1,0,0]=2 2438 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,1,0,0,0,0|1,0,2]=4 2439 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,1,0,0,0,0|1,0,2]=4 2440 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,1,0,0,0,0|1,0,2]=4 2441 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,1,0,0,0,0|1,0,2]=4 2442 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,1,0,0,0,0|1,0,2]=4 2443 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,1,0,0,0,0|1,0,2]=4 2444 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,1,0,0,0,0|1,0,2]=4 2445 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,1,0,0,0,0|1,0,2]=4 2446 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,1,0,0,0,0|0,0,2]=3 2447 B14R0.493 CCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210670 [0,1,0,0,0,0|0,1,2]=4 2448 B14R0.493 CCCCCCCCCC(=O)NCCC 11a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 2449 B14R0.493 CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 2450 B14R0.493 CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 2451 B14R0.493 CCCCCCCCCC(=O)NCCC 527a_100020643023_100000210558 [0,1,0,0,0,0|1,0,2]=4 2452 B14R0.493 CCCCCCCCCC(=O)NCCF 11a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 2453 B14R0.493 CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 2454 B14R0.493 CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 2455 B14R0.493 CCCCCCCCCC(=O)NCCF 527a_100000724931_100000210558 [0,1,0,0,0,0|1,0,2]=4 2456 B14R0.493 CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210558 [0,1,0,0,0,0|1,0,2]=4 2457 B14R0.493 CCCCCCCCCC(=O)NCCO 527a_100000210304_100000210558 [0,1,0,0,0,0|1,0,2]=4 2458 B14R0.493 CCCCCCCCCC(=O)NNCC 22a_100000756455_100000210558 [0,1,0,0,0,0|1,0,2]=4 2459 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [0,1,0,0,0,0|0,0,2]=3 2460 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [0,1,0,0,0,0|0,0,2]=3 2461 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [0,1,0,0,0,0|0,0,2]=3 2462 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [0,1,0,0,0,0|0,0,2]=3 2463 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [0,1,0,0,0,0|0,0,2]=3 2464 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [0,1,0,0,0,0|0,0,2]=3 2465 B14R0.493 CCCCCCCCNC(=O)CCCC 11a_100000229939_100000210183 [0,1,0,0,0,0|2,0,1]=4 2466 B14R0.493 CCCCCCCCNC(=O)CCCC 1626a_100000229939_100000210183 [0,1,0,0,0,0|2,0,1]=4 2467 B14R0.493 CCCCCCCCNC(=O)CCCC 240690a_100000229939_100000210183 [0,1,0,0,0,0|2,0,1]=4 2468 B14R0.493 CCCCCCCCNC(=O)CCCC 527a_100000229939_100000210183 [0,1,0,0,0,0|2,0,1]=4 2469 B14R0.493 CCCCCCCCNC(=O)CCOC 11a_100000229939_100000749529 [0,1,0,0,0,0|2,0,1]=4 2470 B14R0.493 CCCCCCCCNC(=O)CCOC 1626a_100000229939_100000749529 [0,1,0,0,0,0|2,0,1]=4 2471 B14R0.493 CCCCCCCCNC(=O)CCOC 240690a_100000229939_100000749529 [0,1,0,0,0,0|2,0,1]=4 2472 B14R0.493 CCCCCCCCNC(=O)CCOC 527a_100000229939_100000749529 [0,1,0,0,0,0|2,0,1]=4 2473 B14R0.493 CCCCCCCCNC(=O)CCSC 11a_100000229939_100000174002 [0,1,0,0,0,0|2,0,1]=4 2474 B14R0.493 CCCCCCCCNC(=O)CCSC 1626a_100000229939_100000174002 [0,1,0,0,0,0|2,0,1]=4 2475 B14R0.493 CCCCCCCCNC(=O)CCSC 240690a_100000229939_100000174002 [0,1,0,0,0,0|2,0,1]=4 2476 B14R0.493 CCCCCCCCNC(=O)CCSC 527a_100000229939_100000174002 [0,1,0,0,0,0|2,0,1]=4 2477 B14R0.493 CCCCCCCCNC(=O)COCC 11a_100000229939_100000211967 [0,1,0,0,0,0|1,0,1]=3 2478 B14R0.493 CCCCCCCCNC(=O)COCC 1626a_100000229939_100000211967 [0,1,0,0,0,0|1,0,1]=3 2479 B14R0.493 CCCCCCCCNC(=O)COCC 240690a_100000229939_100000211967 [0,1,0,0,0,0|1,0,1]=3 2480 B14R0.493 CCCCCCCCNC(=O)COCC 527a_100000229939_100000211967 [0,1,0,0,0,0|1,0,1]=3 2481 B14R0.493 CCCCCCCCNC(=O)CSCC 11a_100000229939_100000230394 [0,1,0,0,0,0|1,1,1]=4 2482 B14R0.493 CCCCCCCCNC(=O)CSCC 1626a_100000229939_100000230394 [0,1,0,0,0,0|1,1,1]=4 2483 B14R0.493 CCCCCCCCNC(=O)CSCC 240690a_100000229939_100000230394 [0,1,0,0,0,0|1,1,1]=4 2484 B14R0.493 CCCCCCCCNC(=O)CSCC 527a_100000229939_100000230394 [0,1,0,0,0,0|1,1,1]=4 2485 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100000229939_100020643023 [0,1,0,0,0,0|2,0,1]=4 2486 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100020643023_100000229939 [0,1,0,0,0,0|2,0,1]=4 2487 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100000229939_100020643023 [0,1,0,0,0,0|2,0,1]=4 2488 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100020643023_100000229939 [0,1,0,0,0,0|2,0,1]=4 2489 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100000229939_100020643023 [0,1,0,0,0,0|2,0,1]=4 2490 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100020643023_100000229939 [0,1,0,0,0,0|2,0,1]=4 2491 B14R0.493 CCCCCCCCNC(=O)NCCF 2708a_100000229939_100000724931 [0,1,0,0,0,0|2,0,1]=4 2492 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000229939_100000724931 [0,1,0,0,0,0|2,0,1]=4 2493 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000724931_100000229939 [0,1,0,0,0,0|2,0,1]=4 2494 B14R0.493 CCCCCCCCNC(=O)NCCF 512a_100000229939_100000724931 [0,1,0,0,0,0|2,0,1]=4 2495 B14R0.493 CCCCCCCCNC(=O)NCCO 2708a_100000229939_100000210304 [0,1,0,0,0,0|2,0,1]=4 2496 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000210304_100000229939 [0,1,0,0,0,0|2,0,1]=4 2497 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000229939_100000210304 [0,1,0,0,0,0|2,0,1]=4 2498 B14R0.493 CCCCCCCCNC(=O)NCCO 512a_100000229939_100000210304 [0,1,0,0,0,0|2,0,1]=4 2499 B14R0.493 CCCCCCCCNC(=O)NNCC 273464a_100000229939_100000756455 [0,1,0,0,0,0|2,0,1]=4 2500 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000229939_100000756455 [0,1,0,0,0,0|2,0,1]=4 2501 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000756455_100000229939 [0,1,0,0,0,0|2,0,1]=4 2502 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210681 [0,1,0,0,0,0|2,0,1]=4 2503 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000229938_100000183358 [0,1,0,0,0,0|2,0,1]=4 2504 B14R0.493 CCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210681 [0,1,0,0,0,0|2,0,1]=4 2505 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [0,1,0,0,0,0|1,0,1]=3 2506 B14R0.493 CCCCCCCOCC(=O)NCCC 34a_100000210272_100000183358 [0,1,0,0,0,0|2,0,1]=4 2507 B14R0.493 CCCCCCCOCC(=O)NCCC 7a_100000210272_100000183358 [0,1,0,0,0,0|2,0,1]=4 2508 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [0,1,0,0,0,0|1,0,1]=3 2509 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [0,1,0,0,0,0|1,0,1]=3 2510 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000183358_100000210316 [0,1,0,0,0,0|2,0,1]=4 2511 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000210614_100000183358 [0,1,0,0,0,0|2,0,1]=4 2512 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [0,1,0,0,0,0|1,0,1]=3 2513 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [0,1,0,0,0,0|1,0,1]=3 2514 B14R0.493 CCCCCCOCOC(=O)OCCC 34a_100000210259_200000139673 [0,1,0,0,0,0|2,0,1]=4 2515 B14R0.493 CCCCCCOCOC(=O)OCCC 7a_100000210259_200000139673 [0,1,0,0,0,0|2,0,1]=4 2516 B14R0.493 CCCCCCSCOC(=O)OCCC 62a_100000210314_200000139673 [0,1,0,0,0,0|2,0,1]=4 2517 B14R0.493 CCCCOCCCNC(=O)COCC 1626a_200000211371_100000211967 [0,1,0,0,0,0|2,0,1]=4 2518 B14R0.493 CCCCOCCCNC(=O)COCC 240690a_200000211371_100000211967 [0,1,0,0,0,0|2,0,1]=4 2519 B14R0.493 CCCCOCCCNC(=O)COCC 527a_200000211371_100000211967 [0,1,0,0,0,0|2,0,1]=4 2520 B14R0.493 CCCCOCCOCC(=O)OCCC 34a_100000210238_200011215008 [0,1,0,0,0,0|2,0,1]=4 2521 B14R0.493 CCCCOCCOCC(=O)OCCC 7a_100000210238_200011215008 [0,1,0,0,0,0|2,0,1]=4 2522 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_100000743108_200011215008 [0,1,0,0,0,0|2,0,1]=4 2523 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_200011215008_100000743108 [0,1,0,0,0,0|2,0,1]=4 2524 B14R0.493 CCCCSCCNCC(=O)OCCC 2230a_100025743550_200011215008 [0,1,0,0,0,0|2,0,1]=4 2525 B14R0.493 CCCCSCCOCC(=O)OCCC 34a_200000230436_200011215008 [0,1,0,0,0,0|2,0,1]=4 2526 B14R0.493 CCCCSCCOCC(=O)OCCC 7a_200000230436_200011215008 [0,1,0,0,0,0|2,0,1]=4 2527 B14R0.493 CCCOC(=O)CNCCCCCCO 2230a_100000686447_200011215008 [0,1,0,0,0,0|2,0,1]=4 2528 B14R0.493 CCCOC(=O)CNCCCCCCO 34a_100000686447_200011215008 [0,1,0,0,0,0|2,0,1]=4 2529 B14R0.493 CCCOC(=O)CNCCCCCOC 2230a_100000747528_200011215008 [0,1,0,0,0,0|2,0,1]=4 2530 B14R0.493 CCCOC(=O)CNCCCCCOC 34a_100000747528_200011215008 [0,1,0,0,0,0|2,0,1]=4 2531 B14R0.493 CCCOC(=O)COCCCCCCBr 34a_100011215345_200011215008 [0,1,0,0,0,0|2,0,1]=4 2532 B14R0.493 CCCOC(=O)COCCCCCCBr 7a_100011215345_200011215008 [0,1,0,0,0,0|2,0,1]=4 2533 B14R0.493 CCCOC(=O)COCCCCCCCl 34a_100000766143_200011215008 [0,1,0,0,0,0|2,0,1]=4 2534 B14R0.493 CCCOC(=O)COCCCCCCCl 7a_100000766143_200011215008 [0,1,0,0,0,0|2,0,1]=4 2535 B14R0.493 CCCOC(=O)COCCCCCCF 34a_100000732779_200011215008 [0,1,0,0,0,0|2,0,1]=4 2536 B14R0.493 CCCOC(=O)COCCCCCCF 7a_100000732779_200011215008 [0,1,0,0,0,0|2,0,1]=4 2537 B14R0.493 CCCOC(=O)COCCCCCCN 34a_100000686447_200011215008 [0,1,0,0,0,0|2,0,1]=4 2538 B14R0.493 CCCOC(=O)COCCCCCNC 34a_100000722520_200011215008 [0,1,0,0,0,0|2,0,1]=4 2539 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_100015922095_200011215008 [0,1,0,0,0,0|2,0,1]=4 2540 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_200011215008_100015922095 [0,1,0,0,0,0|2,0,1]=4 2541 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_100000766143_200011215008 [0,1,0,0,0,0|2,0,1]=4 2542 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_200011215008_100000766143 [0,1,0,0,0,0|2,0,1]=4 2543 B14R0.493 CCCOCCCNCC(=O)OCCC 2230a_100011217757_200011215008 [0,1,0,0,0,0|2,0,1]=4 2544 B14R0.493 CCCOCCCNCC(=O)OCCC 34a_100011217757_200011215008 [0,1,0,0,0,0|2,0,1]=4 2545 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [0,1,0,0,0,0|1,0,2]=4 2546 B14R0.493 CCOCC(=O)NCCCCCCCO 240690a_100011996573_100000211967 [0,1,0,0,0,0|2,0,1]=4 2547 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,1,0,0,0,0|0,0,3]=4 2548 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,1,0,0,0,0|0,0,3]=4 2549 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,1,0,0,0,0|1,0,2]=4 2550 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,1,0,0,0,0|1,0,2]=4 2551 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,1,0,0,0,0|1,0,2]=4 2552 B14R0.2432 CCCCCC(=O)NN=CC(=O)OCC 4a_100000189784_100000742314 [0,1,0,0,0,0|2,0,1]=4 2553 B14R0.2432 CCCCCC(C)NCCC(=O)OCC 2230a_100000211957_100011206558 [0,1,0,0,0,0|1,0,2]=4 2554 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 34a_100011215632_100000765890 [0,1,0,0,0,0|1,0,2]=4 2555 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 7a_100011215632_100011206558 [0,1,0,0,0,0|1,0,2]=4 2556 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218191 [0,1,0,0,0,0|1,0,2]=4 2557 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_200011218191_100000765890 [0,1,0,0,0,0|1,0,2]=4 2558 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,1,0,0,0,0|2,0,1]=4 2559 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 240690a_100015525214_100020618878 [0,1,0,0,0,0|1,0,2]=4 2560 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 527a_100015525214_100020618878 [0,1,0,0,0,0|1,0,2]=4 2561 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 2230a_100000223495_100016267167 [0,1,0,0,0,0|1,0,0]=2 2562 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 269982a_100000223495_100016267167 [0,1,0,0,0,0|1,0,0]=2 2563 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,1,0,0,0,0|1,0,2]=4 2564 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,1,0,0,0,0|1,0,2]=4 2565 B14R0.2432 CCCCCN(C)CCNC(=O)OCC 269982a_100000223495_200011445536 [0,1,0,0,0,0|2,0,1]=4 2566 B14R0.2432 CCOC(=O)/C=C/CN(C)CCCCO 2230a_100000717598_100016267167 [0,1,0,0,0,0|2,0,0]=3 2567 B14R0.2432 CCOC(=O)/C=C/CN(C)CCCCO 269982a_100000717598_100016267167 [0,1,0,0,0,0|2,0,0]=3 2568 B14R0.2432 CCOC(=O)/C=C/CN(C)CCCOC 2230a_100000224831_100016267167 [0,1,0,0,0,0|2,0,0]=3 2569 B14R0.2432 CCOC(=O)/C=C/CN(C)CCCOC 269982a_100000224831_100016267167 [0,1,0,0,0,0|2,0,0]=3 2570 B14R0.2432 CCOC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000188475 [0,1,0,0,0,0|2,0,1]=4 2571 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,1,0,0|2,0,1]=4 2572 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,1,0,0|1,0,1]=3 2573 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,0,0,1,0,0|2,0,1]=4 2574 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,0,0,1,0,0|2,0,1]=4 2575 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,0,0,1,0,0|2,0,1]=4 2576 B14R1.40 CCCCCCCC=Cc1ccco1 271570a_100134823654_100009814098 [0,0,0,1,0,0|1,0,2]=4 2577 B14R1.40 CCCCCCCC=Cc1cnco1 271570a_100134823654_100020591547 [0,0,0,1,0,0|2,0,1]=4 2578 B14R1.40 CCCCCCCC=Cc1ncco1 271570a_100134823654_100011787736 [0,0,0,1,0,0|1,0,2]=4 2579 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,0,0,1,0,0|2,0,1]=4 2580 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,0,0,1,0,0|2,0,1]=4 2581 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,0,0,1,0,0|2,0,1]=4 2582 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,0,0,1,0,0|1,0,1]=3 2583 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,0,0,1,0,0|2,0,1]=4 2584 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,0,0,1,0,0|2,0,1]=4 2585 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,0,0,1,0,0|2,0,1]=4 2586 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,0,0,1,0,0|1,0,1]=3 2587 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,0,0,1,0,0|1,0,1]=3 2588 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,0,0,1,0,0|2,0,1]=4 2589 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,0,0,1,0,0|2,0,1]=4 2590 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,0,0,1,0,0|2,0,1]=4 2591 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,0,0,1,0,0|1,0,1]=3 2592 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,0,0,1,0,0|1,0,1]=3 2593 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,0,0,1,0,0|2,0,1]=4 2594 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,0,0,1,0,0|2,0,1]=4 2595 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,0,0,1,0,0|2,0,1]=4 2596 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,0,0,1,0,0|2,0,1]=4 2597 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,0,0,1,0,0|2,0,1]=4 2598 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,0,0,1,0,0|2,0,1]=4 2599 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,0,0,1,0,0|2,0,1]=4 2600 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,0,0,1,0,0|2,0,1]=4 2601 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,0,0,1,0,0|2,0,1]=4 2602 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,0,0,1,0,0|2,0,1]=4 2603 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,0,0,1,0,0|2,0,1]=4 2604 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,0,0,1,0,0|2,0,1]=4 2605 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,0,0,1,0,0|2,0,1]=4 2606 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,0,0,1,0,0|2,0,1]=4 2607 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,0,0,1,0,0|2,0,1]=4 2608 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,0,0,1,0,0|2,0,1]=4 2609 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,0,0,1,0,0|2,0,1]=4 2610 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,0,0,1,0,0|2,0,1]=4 2611 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,0,0,1,0,0|2,0,1]=4 2612 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,0,0,1,0,0|2,0,1]=4 2613 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,0,0,1,0,0|2,0,1]=4 2614 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,0,0,1,0,0|2,0,1]=4 2615 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,0,0,1,0,0|2,0,1]=4 2616 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,0,0,1,0,0|2,0,1]=4 2617 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,0,0,1,0,0|2,0,1]=4 2618 B14R1.219 CCCCCCc1ccc(s1)SCC 62a_100000210202_100009817186 [0,0,0,1,0,0|0,2,1]=4 2619 B14R1.219 CCCCCCc1ccc(s1)SCC 62a_100009817186_100000210202 [0,0,0,1,0,0|0,2,1]=4 2620 B14R1.263 CCCC(=O)N1CCCCC1CCC 11a_100000701414_100000211992 [0,0,0,1,0,0|2,0,1]=4 2621 B14R1.263 CCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000211992 [0,0,0,1,0,0|2,0,1]=4 2622 B14R1.263 CCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000211992 [0,0,0,1,0,0|2,0,1]=4 2623 B14R1.263 CCCC(=O)N1CCCCC1CCC 527a_100000701414_100000211992 [0,0,0,1,0,0|2,0,1]=4 2624 B14R1.263 CCCC1CCCCN1C(=O)NCC 2708a_100015525214_100000701414 [0,0,0,1,0,0|2,0,1]=4 2625 B14R1.263 CCCC1CCCCN1C(=O)NCC 273464a_100015525214_100000701414 [0,0,0,1,0,0|2,0,1]=4 2626 B14R1.263 CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210303 [0,0,0,1,0,0|1,0,2]=4 2627 B14R1.263 CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210303 [0,0,0,1,0,0|1,0,2]=4 2628 B14R1.263 CCOC(=O)C1CCCCC1OCC 7a_100000038711_100000210202 [0,0,0,1,0,0|1,0,2]=4 2629 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000188475 [0,0,0,1,0,0|2,0,1]=4 2630 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000188475 [0,0,0,1,0,0|2,0,1]=4 2631 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000188475 [0,0,0,1,0,0|2,0,1]=4 2632 B14R1.520 CCCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000210303 [0,0,0,1,0,0|2,0,0]=3 2633 B14R1.520 CCCC(=O)C=CCN1CCOCC1 1458a_100134615786_100000210303 [0,0,0,1,0,0|3,0,0]=4 2634 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210303 [0,0,0,1,0,0|1,0,2]=4 2635 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211992_100011713725 [0,0,0,1,0,0|1,0,2]=4 2636 B14R1.520 CCCC(=O)CNCC1CCCCC1 2230a_100000210473_100000747444 [0,0,0,1,0,0|2,0,1]=4 2637 B14R1.520 CCCC(=O)COCC1CCCCC1 7a_100000212181_100000747444 [0,0,0,1,0,0|2,0,1]=4 2638 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000211423_100000747444 [0,0,0,1,0,0|2,0,1]=4 2639 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000747444_100000211423 [0,0,0,1,0,0|2,0,1]=4 2640 B14R1.520 CCCC(=O)NCCC1CCCCC1 11a_100000738074_100000211992 [0,0,0,1,0,0|2,0,1]=4 2641 B14R1.520 CCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000211992 [0,0,0,1,0,0|2,0,1]=4 2642 B14R1.520 CCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000211992 [0,0,0,1,0,0|2,0,1]=4 2643 B14R1.520 CCCC(=O)NCCC1CCCCC1 527a_100000738074_100000211992 [0,0,0,1,0,0|2,0,1]=4 2644 B14R1.520 CCCC(=O)NNCC1CCCCC1 22a_100000740227_100000211992 [0,0,0,1,0,0|3,0,0]=4 2645 B14R1.520 CCNC(=O)C=CCN1CCCCC1 11a_100015525214_100015232380 [0,0,0,1,0,0|2,0,0]=3 2646 B14R1.520 CCNC(=O)C=CCN1CCCCC1 240690a_100015525214_100015232380 [0,0,0,1,0,0|2,0,0]=3 2647 B14R1.520 CCNC(=O)C=CCN1CCOCC1 11a_100015525214_100134615786 [0,0,0,1,0,0|3,0,0]=4 2648 B14R1.520 CCNC(=O)C=CCN1CCOCC1 240690a_100015525214_100134615786 [0,0,0,1,0,0|3,0,0]=4 2649 B14R1.520 CCNC(=O)CCCC1CCCCC1 11a_100015525214_100000211478 [0,0,0,1,0,0|1,0,2]=4 2650 B14R1.520 CCNC(=O)CCCC1CCCCC1 240690a_100015525214_100000211478 [0,0,0,1,0,0|1,0,2]=4 2651 B14R1.520 CCNC(=O)CCCC1CCCCC1 527a_100015525214_100000211478 [0,0,0,1,0,0|1,0,2]=4 2652 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183381 [0,0,0,1,0,0|2,0,1]=4 2653 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100016988866_100000211423 [0,0,0,1,0,0|2,0,1]=4 2654 B14R1.520 CCNC(=O)CNCC1CCCCC1 34a_100000210473_100000183381 [0,0,0,1,0,0|2,0,1]=4 2655 B14R1.520 CCNC(=O)COCC1CCCCC1 34a_100000212181_100000183381 [0,0,0,1,0,0|2,0,1]=4 2656 B14R1.520 CCNC(=O)COCC1CCCCC1 7a_100000212181_100000183381 [0,0,0,1,0,0|2,0,1]=4 2657 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000183381_100000211423 [0,0,0,1,0,0|2,0,1]=4 2658 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000211423_100000183381 [0,0,0,1,0,0|2,0,1]=4 2659 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100000738074_100015525214 [0,0,0,1,0,0|2,0,1]=4 2660 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100015525214_100000738074 [0,0,0,1,0,0|2,0,1]=4 2661 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100000738074_100015525214 [0,0,0,1,0,0|2,0,1]=4 2662 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100015525214_100000738074 [0,0,0,1,0,0|2,0,1]=4 2663 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100000738074_100015525214 [0,0,0,1,0,0|2,0,1]=4 2664 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100015525214_100000738074 [0,0,0,1,0,0|2,0,1]=4 2665 B14R1.520 CCNC(=O)NNCC1CCCCC1 273464a_100015525214_100000740227 [0,0,0,1,0,0|3,0,0]=4 2666 B14R1.520 CCNC(=O)NNCC1CCCCC1 512a_100015525214_100000740227 [0,0,0,1,0,0|3,0,0]=4 2667 B14R1.520 CCOC(=O)/C=C/CN1CC=CCC1 2230a_100000698166_100016267167 [0,0,0,1,0,0|1,0,2]=4 2668 B14R1.520 CCOC(=O)/C=C/CN1CC=CCC1 269982a_100000698166_100016267167 [0,0,0,1,0,0|1,0,2]=4 2669 B14R1.520 CCOC(=O)/C=C/CN1CC=CCC1 34a_100000698166_100016267167 [0,0,0,1,0,0|1,0,2]=4 2670 B14R1.520 CCOC(=O)/C=C/CN1CCCOC1 2230a_100000131196_100016267167 [0,0,0,1,0,0|2,0,0]=3 2671 B14R1.520 CCOC(=O)/C=C/CN1CCCOC1 269982a_100000131196_100016267167 [0,0,0,1,0,0|2,0,0]=3 2672 B14R1.520 CCOC(=O)/C=C/CN1CCCOC1 34a_100000131196_100016267167 [0,0,0,1,0,0|2,0,0]=3 2673 B14R1.520 CCOC(=O)/C=C/CN1CCOCC1 2230a_100015191051_100016267167 [0,0,0,1,0,0|2,0,0]=3 2674 B14R1.520 CCOC(=O)/C=C/CN1CCOCC1 269982a_100015191051_100016267167 [0,0,0,1,0,0|2,0,0]=3 2675 B14R1.520 CCOC(=O)/C=C/CN1CCOCC1 34a_100015191051_100016267167 [0,0,0,1,0,0|2,0,0]=3 2676 B14R1.520 CCOC(=O)/C=C/CN1CCSCC1 2230a_100000737611_100016267167 [0,0,0,1,0,0|2,0,0]=3 2677 B14R1.520 CCOC(=O)/C=C/CN1CCSCC1 269982a_100000737611_100016267167 [0,0,0,1,0,0|2,0,0]=3 2678 B14R1.520 CCOC(=O)C=NNC1CCCCC1 4a_100000709804_100000742314 [0,0,0,1,0,0|2,0,0]=3 2679 B14R1.520 CCOC(=O)C=NNC1CCOCC1 4a_100000687383_100000742314 [0,0,0,1,0,0|3,0,0]=4 2680 B14R1.520 CCOC(=O)CCNC1CCCCC1 2230a_100000182618_100011206558 [0,0,0,1,0,0|1,0,2]=4 2681 B14R1.520 CCOC(=O)CCNC1CCCCC1 34a_100000182618_100000765890 [0,0,0,1,0,0|1,0,2]=4 2682 B14R1.520 CCOC(=O)CCOC1CCCCC1 34a_100000210231_100000765890 [0,0,0,1,0,0|1,0,2]=4 2683 B14R1.520 CCOC(=O)CCOC1CCCCC1 7a_100000210231_100011206558 [0,0,0,1,0,0|1,0,2]=4 2684 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000210327_100000765890 [0,0,0,1,0,0|1,0,2]=4 2685 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000765890_100000210327 [0,0,0,1,0,0|1,0,2]=4 2686 B14R1.520 CCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000188475 [0,0,0,1,0,0|1,0,1]=3 2687 B14R1.520 CCOC(=O)CNCC1CCCCC1 34a_100000210473_100000188475 [0,0,0,1,0,0|1,0,1]=3 2688 B14R1.520 CCOC(=O)CNCC1CCCCO1 2230a_100000174945_100000188475 [0,0,0,1,0,0|2,0,1]=4 2689 B14R1.520 CCOC(=O)CNCC1CCCCO1 34a_100000174945_100000188475 [0,0,0,1,0,0|2,0,1]=4 2690 B14R1.520 CCOC(=O)CNCC1CCCOC1 2230a_100000720124_100000188475 [0,0,0,1,0,0|2,0,1]=4 2691 B14R1.520 CCOC(=O)CNCC1CCCOC1 34a_100000720124_100000188475 [0,0,0,1,0,0|2,0,1]=4 2692 B14R1.520 CCOC(=O)CNCC1CCOCC1 2230a_100000746373_100000188475 [0,0,0,1,0,0|2,0,1]=4 2693 B14R1.520 CCOC(=O)CNCC1CCOCC1 34a_100000746373_100000188475 [0,0,0,1,0,0|2,0,1]=4 2694 B14R1.520 CCOC(=O)CNCC1CCSCC1 2230a_100015188806_100000188475 [0,0,0,1,0,0|2,0,1]=4 2695 B14R1.520 CCOC(=O)CNCC1CCSCC1 34a_100015188806_100000188475 [0,0,0,1,0,0|2,0,1]=4 2696 B14R1.520 CCOC(=O)COCC1CCCCC1 34a_100000212181_100000188475 [0,0,0,1,0,0|1,0,1]=3 2697 B14R1.520 CCOC(=O)COCC1CCCCC1 7a_100000212181_100000188475 [0,0,0,1,0,0|1,0,1]=3 2698 B14R1.520 CCOC(=O)COCC1CCCCN1 34a_100000210821_100000188475 [0,0,0,1,0,0|2,0,1]=4 2699 B14R1.520 CCOC(=O)COCC1CCCCO1 34a_100000211370_100000188475 [0,0,0,1,0,0|2,0,1]=4 2700 B14R1.520 CCOC(=O)COCC1CCCCO1 7a_100000211370_100000188475 [0,0,0,1,0,0|2,0,1]=4 2701 B14R1.520 CCOC(=O)COCC1CCCNC1 34a_100000211344_100000188475 [0,0,0,1,0,0|2,0,1]=4 2702 B14R1.520 CCOC(=O)COCC1CCCOC1 34a_100000741520_100000188475 [0,0,0,1,0,0|2,0,1]=4 2703 B14R1.520 CCOC(=O)COCC1CCNCC1 34a_100000738675_100000188475 [0,0,0,1,0,0|2,0,1]=4 2704 B14R1.520 CCOC(=O)COCC1CCOCC1 34a_100000749013_100000188475 [0,0,0,1,0,0|2,0,1]=4 2705 B14R1.520 CCOC(=O)COCC1CCSCC1 34a_100000070558_100000188475 [0,0,0,1,0,0|2,0,1]=4 2706 B14R1.520 CCOC(=O)COCC1CCSCC1 7a_100000070558_100000188475 [0,0,0,1,0,0|2,0,1]=4 2707 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000188475_100000211423 [0,0,0,1,0,0|1,0,1]=3 2708 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000211423_100000188475 [0,0,0,1,0,0|1,0,1]=3 2709 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000188475_100000211543 [0,0,0,1,0,0|2,0,1]=4 2710 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000211543_100000188475 [0,0,0,1,0,0|2,0,1]=4 2711 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000188475_100000741521 [0,0,0,1,0,0|2,0,1]=4 2712 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000741521_100000188475 [0,0,0,1,0,0|2,0,1]=4 2713 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000188475_100000749018 [0,0,0,1,0,0|2,0,1]=4 2714 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000754603_100000188475 [0,0,0,1,0,0|2,0,1]=4 2715 B14R1.520 CCOC(=O)OCSC1CCCCC1 62a_100000210327_100000075025 [0,0,0,1,0,0|2,0,1]=4 2716 B14R1.520 CNNC(=O)C=CCN1CCCCC1 22a_100016993582_100015232380 [0,0,0,1,0,0|3,0,0]=4 2717 B14R1.520 O=C(C=CCN1CCCCC1)CCF 1458a_100015232380_100011217306 [0,0,0,1,0,0|3,0,0]=4 2718 B14R1.520 O=C(C=CCN1CCCCC1)CCO 1458a_100015232380_100000211926 [0,0,0,1,0,0|3,0,0]=4 2719 B14R1.598 CCCC(=O)CNC1CCCCC1C 2230a_100000211402_100000747444 [0,0,0,1,0,0|2,0,1]=4 2720 B14R1.598 CCCC(=O)COC1CCCCC1C 1458a_100011223357_100000210303 [0,0,0,1,0,0|2,0,1]=4 2721 B14R1.598 CCCC(=O)COC1CCCCC1C 7a_100000211207_100000747444 [0,0,0,1,0,0|2,0,1]=4 2722 B14R1.598 CCNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183381 [0,0,0,1,0,0|2,0,1]=4 2723 B14R1.598 CCNC(=O)CNC1CCCCC1C 270004a_100016988866_100000210921 [0,0,0,1,0,0|2,0,1]=4 2724 B14R1.598 CCNC(=O)CNC1CCCCC1C 34a_100000211402_100000183381 [0,0,0,1,0,0|2,0,1]=4 2725 B14R1.598 CCNC(=O)COC1CCCCC1C 11a_100015525214_100011223357 [0,0,0,1,0,0|2,0,1]=4 2726 B14R1.598 CCNC(=O)COC1CCCCC1C 240690a_100015525214_100011223357 [0,0,0,1,0,0|2,0,1]=4 2727 B14R1.598 CCNC(=O)COC1CCCCC1C 34a_100000211207_100000183381 [0,0,0,1,0,0|2,0,1]=4 2728 B14R1.598 CCNC(=O)COC1CCCCC1C 527a_100015525214_100011223357 [0,0,0,1,0,0|2,0,1]=4 2729 B14R1.598 CCNC(=O)COC1CCCCC1C 7a_100000211207_100000183381 [0,0,0,1,0,0|2,0,1]=4 2730 B14R1.598 CCOC(=O)CCN1CCCCC1C 2230a_100000211376_100011206558 [0,0,0,1,0,0|1,0,2]=4 2731 B14R1.598 CCOC(=O)CCN1CCCCC1C 269982a_100000211376_100011206558 [0,0,0,1,0,0|1,0,2]=4 2732 B14R1.598 CCOC(=O)CCN1CCCCC1C 34a_100000211376_100000765890 [0,0,0,1,0,0|1,0,2]=4 2733 B14R1.598 CCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000188475 [0,0,0,1,0,0|1,0,1]=3 2734 B14R1.598 CCOC(=O)CNC1CCCCC1C 34a_100000211402_100000188475 [0,0,0,1,0,0|1,0,1]=3 2735 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000188475 [0,0,0,1,0,0|2,0,1]=4 2736 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000188475 [0,0,0,1,0,0|2,0,1]=4 2737 B14R1.598 CCOC(=O)COC1CCCCC1C 34a_100000211207_100000188475 [0,0,0,1,0,0|1,0,1]=3 2738 B14R1.598 CCOC(=O)COC1CCCCC1C 7a_100000211207_100000188475 [0,0,0,1,0,0|1,0,1]=3 2739 B14R1.598 CCOC(=O)COC1CCCCC1Cl 34a_100000038908_100000188475 [0,0,0,1,0,0|2,0,1]=4 2740 B14R1.598 CCOC(=O)COC1CCCCC1Cl 7a_100000038908_100000188475 [0,0,0,1,0,0|2,0,1]=4 2741 B14R1.598 CCOC(=O)COC1CCNCC1C 34a_100011998114_100000188475 [0,0,0,1,0,0|2,0,1]=4 2742 B14R1.598 CCOC(=O)COC1CNCCC1C 34a_100000696640_100000188475 [0,0,0,1,0,0|2,0,1]=4 2743 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000188475 [0,0,0,1,0,0|2,0,1]=4 2744 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000188475 [0,0,0,1,0,0|2,0,1]=4 2745 B14R1.598 CCOC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000188475 [0,0,0,1,0,0|2,0,1]=4 2746 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100000188475_100015423560 [0,0,0,1,0,0|2,0,1]=4 2747 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100015423560_100000188475 [0,0,0,1,0,0|2,0,1]=4 2748 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000038908_100000188475 [0,0,0,1,0,0|2,0,1]=4 2749 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000188475_100000038908 [0,0,0,1,0,0|2,0,1]=4 2750 B14R1.609 CCCC(=O)CNCCC1CCCC1 2230a_100000739158_100000747444 [0,0,0,1,0,0|2,0,1]=4 2751 B14R1.609 CCCC(=O)COCCC1CCCC1 7a_100000749090_100000747444 [0,0,0,1,0,0|2,0,1]=4 2752 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000747444_100000760354 [0,0,0,1,0,0|2,0,1]=4 2753 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000760354_100000747444 [0,0,0,1,0,0|2,0,1]=4 2754 B14R1.609 CCCC(=O)NCCCC1CCCC1 11a_100000736752_100000211992 [0,0,0,1,0,0|2,0,1]=4 2755 B14R1.609 CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211992 [0,0,0,1,0,0|2,0,1]=4 2756 B14R1.609 CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211992 [0,0,0,1,0,0|2,0,1]=4 2757 B14R1.609 CCCC(=O)NCCCC1CCCC1 527a_100000736752_100000211992 [0,0,0,1,0,0|2,0,1]=4 2758 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183381 [0,0,0,1,0,0|2,0,1]=4 2759 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100016988866_100000760354 [0,0,0,1,0,0|2,0,1]=4 2760 B14R1.609 CCNC(=O)CNCCC1CCCC1 34a_100000739158_100000183381 [0,0,0,1,0,0|2,0,1]=4 2761 B14R1.609 CCNC(=O)COCCC1CCCC1 34a_100000749090_100000183381 [0,0,0,1,0,0|2,0,1]=4 2762 B14R1.609 CCNC(=O)COCCC1CCCC1 7a_100000749090_100000183381 [0,0,0,1,0,0|2,0,1]=4 2763 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000183381_100000760354 [0,0,0,1,0,0|2,0,1]=4 2764 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000760354_100000183381 [0,0,0,1,0,0|2,0,1]=4 2765 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100000736752_100015525214 [0,0,0,1,0,0|2,0,1]=4 2766 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100015525214_100000736752 [0,0,0,1,0,0|2,0,1]=4 2767 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100000736752_100015525214 [0,0,0,1,0,0|2,0,1]=4 2768 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100015525214_100000736752 [0,0,0,1,0,0|2,0,1]=4 2769 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100000736752_100015525214 [0,0,0,1,0,0|2,0,1]=4 2770 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100015525214_100000736752 [0,0,0,1,0,0|2,0,1]=4 2771 B14R1.609 CCOC(=O)/C=C/CNC1CC=CC1 2230a_100015188752_100016267167 [0,0,0,1,0,0|1,0,2]=4 2772 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100016267167 [0,0,0,1,0,0|1,0,0]=2 2773 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 34a_100000211070_100016267167 [0,0,0,1,0,0|1,0,0]=2 2774 B14R1.609 CCOC(=O)/C=C/CN[C@@H]1CCOC1 2230a_200015188469_100016267167 [0,0,0,1,0,0|2,0,0]=3 2775 B14R1.609 CCOC(=O)/C=C/CN[C@H]1CCOC1 2230a_100015188467_100016267167 [0,0,0,1,0,0|2,0,0]=3 2776 B14R1.609 CCOC(=O)/C=C/CN[C@H]1CCOC1 34a_100015188467_100016267167 [0,0,0,1,0,0|2,0,0]=3 2777 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 34a_100000210269_100016267167 [0,0,0,1,0,0|1,0,0]=2 2778 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 7a_100000210269_100016267167 [0,0,0,1,0,0|1,0,0]=2 2779 B14R1.609 CCOC(=O)/C=C/COC1CCCO1 34a_100000085407_100016267167 [0,0,0,1,0,0|2,0,0]=3 2780 B14R1.609 CCOC(=O)/C=C/COC1CCSC1 7a_100011232664_100016267167 [0,0,0,1,0,0|2,0,0]=3 2781 B14R1.609 CCOC(=O)/C=C/CO[C@H]1CCOC1 34a_100000717292_100016267167 [0,0,0,1,0,0|2,0,0]=3 2782 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100011217020_100016267167 [0,0,0,1,0,0|1,0,0]=2 2783 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100016267167_100000179811 [0,0,0,1,0,0|1,0,0]=2 2784 B14R1.609 CCOC(=O)/C=C/CSC1CCOC1 62a_100016267167_100000690089 [0,0,0,1,0,0|2,0,0]=3 2785 B14R1.609 CCOC(=O)CCCCN1CCCC1 2230a_100000188435_100000750268 [0,0,0,1,0,0|1,0,2]=4 2786 B14R1.609 CCOC(=O)CCCCN1CCCC1 269982a_100000188435_100000750268 [0,0,0,1,0,0|1,0,2]=4 2787 B14R1.609 CCOC(=O)CCCNC1CCCC1 2230a_100000211070_100009991533 [0,0,0,1,0,0|1,0,2]=4 2788 B14R1.609 CCOC(=O)CCCNC1CCCC1 34a_100000211070_100009991533 [0,0,0,1,0,0|1,0,2]=4 2789 B14R1.609 CCOC(=O)CCCOC1CCCC1 34a_100000210269_100009991533 [0,0,0,1,0,0|1,0,2]=4 2790 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100000210269_100011215271 [0,0,0,1,0,0|1,0,2]=4 2791 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100012001163_100000179811 [0,0,0,1,0,0|1,0,2]=4 2792 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100009991533_100000179811 [0,0,0,1,0,0|1,0,2]=4 2793 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100011217020_100009991533 [0,0,0,1,0,0|1,0,2]=4 2794 B14R1.609 CCOC(=O)CCNCC1CCCC1 2230a_100000737975_100011206558 [0,0,0,1,0,0|1,0,2]=4 2795 B14R1.609 CCOC(=O)CCNCC1CCCC1 34a_100000737975_100000765890 [0,0,0,1,0,0|1,0,2]=4 2796 B14R1.609 CCOC(=O)CCOCC1CCCC1 34a_100000742336_100000765890 [0,0,0,1,0,0|1,0,2]=4 2797 B14R1.609 CCOC(=O)CCOCC1CCCC1 7a_100000742336_100011206558 [0,0,0,1,0,0|1,0,2]=4 2798 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000740388_100000765890 [0,0,0,1,0,0|1,0,2]=4 2799 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000765890_100000740388 [0,0,0,1,0,0|1,0,2]=4 2800 B14R1.609 CCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000188475 [0,0,0,1,0,0|1,0,1]=3 2801 B14R1.609 CCOC(=O)CNCCC1CCCC1 34a_100000739158_100000188475 [0,0,0,1,0,0|1,0,1]=3 2802 B14R1.609 CCOC(=O)COCCC1CCCC1 34a_100000749090_100000188475 [0,0,0,1,0,0|1,0,1]=3 2803 B14R1.609 CCOC(=O)COCCC1CCCC1 7a_100000749090_100000188475 [0,0,0,1,0,0|1,0,1]=3 2804 B14R1.609 CCOC(=O)COCCC1CCNC1 34a_100016987287_100000188475 [0,0,0,1,0,0|2,0,1]=4 2805 B14R1.609 CCOC(=O)COCCC1CCOC1 34a_100011879284_100000188475 [0,0,0,1,0,0|2,0,1]=4 2806 B14R1.609 CCOC(=O)COCCN1CCCC1 2230a_100000188435_100000088970 [0,0,0,1,0,0|2,0,1]=4 2807 B14R1.609 CCOC(=O)COCCN1CCCC1 269982a_100000188435_100000088970 [0,0,0,1,0,0|2,0,1]=4 2808 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000188475_100000760354 [0,0,0,1,0,0|1,0,1]=3 2809 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000760354_100000188475 [0,0,0,1,0,0|1,0,1]=3 2810 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000188475_100000004467 [0,0,0,1,0,0|2,0,1]=4 2811 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000700749_100000188475 [0,0,0,1,0,0|2,0,1]=4 2812 B14R1.609 CCOC(=O)NCCOC1CCCC1 34a_100000158857_100000179811 [0,0,0,1,0,0|2,0,1]=4 2813 B14R1.609 CCOC(=O)NCCOC1CCCC1 7a_100000210269_200011445536 [0,0,0,1,0,0|2,0,1]=4 2814 B14R1.609 CCOC(=O)NCCSC1CCCC1 62a_100011217020_200011445536 [0,0,0,1,0,0|2,0,1]=4 2815 B14R1.609 CCOC(=O)OCSCC1CCCC1 62a_100000740388_100000075025 [0,0,0,1,0,0|2,0,1]=4 2816 B14R1.609 CCOC(=O)[CH-]C=NNC1CCCC1 4a_100000737850_100010622808 [0,0,0,1,0,0|2,0,1]=4 2817 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 34a_100000744939_100016267167 [0,0,0,1,0,0|1,0,0]=2 2818 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 7a_100000744939_100016267167 [0,0,0,1,0,0|1,0,0]=2 2819 B14R1.611 CCOC(=O)CCCOCC1CC1C 34a_100000744939_100009991533 [0,0,0,1,0,0|1,0,2]=4 2820 B14R1.611 CCOC(=O)CCCOCC1CC1C 7a_100000744939_100011215271 [0,0,0,1,0,0|1,0,2]=4 2821 B14R1.611 CCOC(=O)NCCOCC1CC1C 7a_100000744939_200011445536 [0,0,0,1,0,0|2,0,1]=4 2822 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100016267167 [0,0,0,1,0,0|1,0,0]=2 2823 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 34a_100000738700_100016267167 [0,0,0,1,0,0|1,0,0]=2 2824 B14R1.612 CCOC(=O)/C=C/CNCC1COC1 2230a_100015281925_100016267167 [0,0,0,1,0,0|2,0,0]=3 2825 B14R1.612 CCOC(=O)/C=C/CNCC1COC1 34a_100015281925_100016267167 [0,0,0,1,0,0|2,0,0]=3 2826 B14R1.612 CCOC(=O)/C=C/CNC[C@@H]1CCO1 2230a_100020831831_100016267167 [0,0,0,1,0,0|2,0,0]=3 2827 B14R1.612 CCOC(=O)/C=C/CNC[C@@H]1CCO1 34a_100020831831_100016267167 [0,0,0,1,0,0|2,0,0]=3 2828 B14R1.612 CCOC(=O)/C=C/COCC1CCC1 34a_100000760304_100016267167 [0,0,0,1,0,0|1,0,0]=2 2829 B14R1.612 CCOC(=O)/C=C/COCC1CCO1 34a_100000039022_100016267167 [0,0,0,1,0,0|2,0,0]=3 2830 B14R1.612 CCOC(=O)/C=C/COCC1CNC1 34a_100016987283_100016267167 [0,0,0,1,0,0|2,0,0]=3 2831 B14R1.612 CCOC(=O)/C=C/COCC1COC1 34a_100000060846_100016267167 [0,0,0,1,0,0|2,0,0]=3 2832 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100000763275_100016267167 [0,0,0,1,0,0|1,0,0]=2 2833 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100016267167_100000763275 [0,0,0,1,0,0|1,0,0]=2 2834 B14R1.612 CCOC(=O)/C=C/CSCC1CCO1 62a_100000103362_100016267167 [0,0,0,1,0,0|2,0,0]=3 2835 B14R1.612 CCOC(=O)/C=C/CSCC1CCO1 62a_100016267167_100000103362 [0,0,0,1,0,0|2,0,0]=3 2836 B14R1.612 CCOC(=O)/C=C/CSCC1COC1 62a_100010264016_100016267167 [0,0,0,1,0,0|2,0,0]=3 2837 B14R1.612 CCOC(=O)/C=C/CSCC1COC1 62a_100016267167_100010264016 [0,0,0,1,0,0|2,0,0]=3 2838 B14R1.612 CCOC(=O)C=CC=NNC1CCC1 4a_100000736358_100016289910 [0,0,0,1,0,0|2,0,1]=4 2839 B14R1.612 CCOC(=O)CCCCCN1CCC1 269982a_100000754969_100000755133 [0,0,0,1,0,0|1,0,2]=4 2840 B14R1.612 CCOC(=O)CCCCNC1CCC1 2230a_100000749019_100000750268 [0,0,0,1,0,0|1,0,2]=4 2841 B14R1.612 CCOC(=O)CCCCNC1CCC1 34a_100000749019_100000750268 [0,0,0,1,0,0|1,0,2]=4 2842 B14R1.612 CCOC(=O)CCCCOC1CCC1 34a_100000748187_100000750268 [0,0,0,1,0,0|1,0,2]=4 2843 B14R1.612 CCOC(=O)CCCCSC1CCC1 62a_100000750268_100000749161 [0,0,0,1,0,0|1,0,2]=4 2844 B14R1.612 CCOC(=O)CCCNCC1CCC1 2230a_100000738700_100009991533 [0,0,0,1,0,0|1,0,2]=4 2845 B14R1.612 CCOC(=O)CCCNCC1CCC1 34a_100000738700_100009991533 [0,0,0,1,0,0|1,0,2]=4 2846 B14R1.612 CCOC(=O)CCCOCC1CCC1 34a_100000760304_100009991533 [0,0,0,1,0,0|1,0,2]=4 2847 B14R1.612 CCOC(=O)CCCOCC1CCC1 7a_100012001163_100000763275 [0,0,0,1,0,0|1,0,2]=4 2848 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100000763275_100009991533 [0,0,0,1,0,0|1,0,2]=4 2849 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100009991533_100000763275 [0,0,0,1,0,0|1,0,2]=4 2850 B14R1.612 CCOC(=O)COCCCN1CCC1 269982a_100000754969_100009893628 [0,0,0,1,0,0|2,0,1]=4 2851 B14R1.612 CCOC(=O)COCCNC1CCC1 2230a_100000749019_100000088970 [0,0,0,1,0,0|2,0,1]=4 2852 B14R1.612 CCOC(=O)COCCNC1CCC1 34a_100000749019_100000088970 [0,0,0,1,0,0|2,0,1]=4 2853 B14R1.612 CCOC(=O)COCCOC1CCC1 34a_100000748187_100000088970 [0,0,0,1,0,0|2,0,1]=4 2854 B14R1.612 CCOC(=O)COCCSC1CCC1 62a_100000088970_100000749161 [0,0,0,1,0,0|2,0,1]=4 2855 B14R1.612 CCOC(=O)NCCOCC1CCC1 34a_100000158857_100000763275 [0,0,0,1,0,0|2,0,1]=4 2856 B14R1.612 CCOC(=O)NCCSCC1CCC1 62a_100000763275_200011445536 [0,0,0,1,0,0|2,0,1]=4 2857 B14R1.612 CCOC(=O)[CH-]C=NNCC1CCC1 4a_200020586977_100010622808 [0,0,0,1,0,0|2,0,1]=4 2858 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210211 [0,0,0,1,0,0|1,0,2]=4 2859 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210211 [0,0,0,1,0,0|1,0,2]=4 2860 B14R1.635 CCCCc1cscc1C(=O)OCC 271570a_100020621405_100012353568 [0,0,0,1,0,0|1,0,2]=4 2861 B14R1.635 CCCCc1n[nH]cc1C(=O)OCC 271570a_100020621405_100010255357 [0,0,0,1,0,0|2,0,1]=4 2862 B14R1.635 CCCCc1sccc1C(=O)OCC 271570a_100020621405_100010219215 [0,0,0,1,0,0|1,0,2]=4 2863 B14R1.635 CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210303 [0,0,0,1,0,0|1,0,2]=4 2864 B14R1.947 CCNC(=O)CNC1CCCC1CC 270004a_100016988866_100000749056 [0,0,0,1,0,0|2,0,1]=4 2865 B14R1.947 CCOC(=O)CCN1CCCC1CC 2230a_100000754278_100011206558 [0,0,0,1,0,0|1,0,2]=4 2866 B14R1.947 CCOC(=O)CCN1CCCC1CC 269982a_100000754278_100011206558 [0,0,0,1,0,0|1,0,2]=4 2867 B14R1.947 CCOC(=O)CCN1CCCC1CC 34a_100000754278_100000765890 [0,0,0,1,0,0|1,0,2]=4 2868 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100016267167 [0,0,0,1,0,0|1,0,0]=2 2869 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100016267167 [0,0,0,1,0,0|1,0,0]=2 2870 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100016267167 [0,0,0,1,0,0|1,0,0]=2 2871 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100016267167 [0,0,0,1,0,0|1,0,0]=2 2872 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100016267167 [0,0,0,1,0,0|1,0,0]=2 2873 B14R1.948 CCOC(=O)/C=C/CN1CCSC1C 2230a_200011216479_100016267167 [0,0,0,1,0,0|2,0,0]=3 2874 B14R1.948 CCOC(=O)/C=C/CN1CCSC1C 269982a_200011216479_100016267167 [0,0,0,1,0,0|2,0,0]=3 2875 B14R1.948 CCOC(=O)/C=C/CN1CCSC1C 34a_200011216479_100016267167 [0,0,0,1,0,0|2,0,0]=3 2876 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100009991533 [0,0,0,1,0,0|1,0,2]=4 2877 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100009991533 [0,0,0,1,0,0|1,0,2]=4 2878 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100009991533 [0,0,0,1,0,0|1,0,2]=4 2879 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100009991533 [0,0,0,1,0,0|1,0,2]=4 2880 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100009991533 [0,0,0,1,0,0|1,0,2]=4 2881 B14R1.948 CCOC(=O)CCOC1CCCC1C 34a_100011216460_100000765890 [0,0,0,1,0,0|1,0,2]=4 2882 B14R1.948 CCOC(=O)CCOC1CCCC1C 7a_100011216460_100011206558 [0,0,0,1,0,0|1,0,2]=4 2883 B14R1.948 CCOC(=O)COCC1CCCN1C 34a_100000743107_100000188475 [0,0,0,1,0,0|2,0,1]=4 2884 B14R1.948 CCOC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_200011445536 [0,0,0,1,0,0|2,0,1]=4 2885 B14R1.948 CCOC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_200011445536 [0,0,0,1,0,0|2,0,1]=4 2886 B14R1.955 CCOC(=O)/C=C/CNCCC1CC1 34a_100000764129_100016267167 [0,0,0,1,0,0|1,0,0]=2 2887 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 34a_100000754188_100016267167 [0,0,0,1,0,0|1,0,0]=2 2888 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 7a_100000754188_100016267167 [0,0,0,1,0,0|1,0,0]=2 2889 B14R1.955 CCOC(=O)/C=C/COCC[C@@H]1CO1 34a_100009820653_100016267167 [0,0,0,1,0,0|2,0,0]=3 2890 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100000764125_100016267167 [0,0,0,1,0,0|1,0,0]=2 2891 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100016267167_100000764125 [0,0,0,1,0,0|1,0,0]=2 2892 B14R1.955 CCOC(=O)/C=C/CSCCC1CO1 62a_100000732470_100016267167 [0,0,0,1,0,0|2,0,0]=3 2893 B14R1.955 CCOC(=O)/C=C/CSCCC1CO1 62a_100016267167_100000732470 [0,0,0,1,0,0|2,0,0]=3 2894 B14R1.955 CCOC(=O)C=CC=NNCC1CC1 4a_100000736359_100016289910 [0,0,0,1,0,0|2,0,1]=4 2895 B14R1.955 CCOC(=O)CCCCCNC1CC1 34a_100000212008_100000755133 [0,0,0,1,0,0|1,0,2]=4 2896 B14R1.955 CCOC(=O)CCCCCSC1CC1 62a_100000755133_100000211595 [0,0,0,1,0,0|1,0,2]=4 2897 B14R1.955 CCOC(=O)CCCCNCC1CC1 2230a_100000735609_100000750268 [0,0,0,1,0,0|1,0,2]=4 2898 B14R1.955 CCOC(=O)CCCCNCC1CC1 34a_100000735609_100000750268 [0,0,0,1,0,0|1,0,2]=4 2899 B14R1.955 CCOC(=O)CCCCOCC1CC1 34a_100000211283_100000750268 [0,0,0,1,0,0|1,0,2]=4 2900 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000750268_100000742324 [0,0,0,1,0,0|1,0,2]=4 2901 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000756562_100000750268 [0,0,0,1,0,0|1,0,2]=4 2902 B14R1.955 CCOC(=O)CCCNCCC1CC1 34a_100000764129_100009991533 [0,0,0,1,0,0|1,0,2]=4 2903 B14R1.955 CCOC(=O)CCCOCCC1CC1 34a_100000754188_100009991533 [0,0,0,1,0,0|1,0,2]=4 2904 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100000754188_100011215271 [0,0,0,1,0,0|1,0,2]=4 2905 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100012001163_100000764125 [0,0,0,1,0,0|1,0,2]=4 2906 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100000764125_100009991533 [0,0,0,1,0,0|1,0,2]=4 2907 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100009991533_100000764125 [0,0,0,1,0,0|1,0,2]=4 2908 B14R1.955 CCOC(=O)COCCCNC1CC1 34a_100000212008_100009893628 [0,0,0,1,0,0|2,0,1]=4 2909 B14R1.955 CCOC(=O)COCCCSC1CC1 62a_100009893628_100000211595 [0,0,0,1,0,0|2,0,1]=4 2910 B14R1.955 CCOC(=O)COCCNCC1CC1 2230a_100000735609_100000088970 [0,0,0,1,0,0|2,0,1]=4 2911 B14R1.955 CCOC(=O)COCCNCC1CC1 34a_100000735609_100000088970 [0,0,0,1,0,0|2,0,1]=4 2912 B14R1.955 CCOC(=O)COCCOCC1CC1 34a_100000211283_100000088970 [0,0,0,1,0,0|2,0,1]=4 2913 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000088970_100000742324 [0,0,0,1,0,0|2,0,1]=4 2914 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000756562_100000088970 [0,0,0,1,0,0|2,0,1]=4 2915 B14R1.955 CCOC(=O)CSCCOCC1CC1 7a_200000230590_100000742324 [0,0,0,1,0,0|2,0,1]=4 2916 B14R1.955 CCOC(=O)NCCOCCC1CC1 34a_100000158857_100000694398 [0,0,0,1,0,0|2,0,1]=4 2917 B14R1.955 CCOC(=O)NCCOCCC1CC1 7a_100000754188_200011445536 [0,0,0,1,0,0|2,0,1]=4 2918 B14R1.955 CCOC(=O)NCCSCCC1CC1 62a_100000764125_200011445536 [0,0,0,1,0,0|2,0,1]=4 2919 B14R1.963 CCOC(=O)/C=C/CSC1CCC1=O 62a_100009892977_100016267167 [0,0,0,1,0,0|2,0,1]=4 2920 B14R1.963 CCOC(=O)/C=C/CSC1CCC1=O 62a_100016267167_100009892977 [0,0,0,1,0,0|2,0,1]=4 2921 B14R1.963 CCOC(=O)CCCCN1CCC1C 269982a_100000755817_100000750268 [0,0,0,1,0,0|1,0,2]=4 2922 B14R1.963 CCOC(=O)CCCCN1CCC1C 34a_100000755817_100000750268 [0,0,0,1,0,0|1,0,2]=4 2923 B14R1.963 CCOC(=O)COCCN1CCC1C 269982a_100000755817_100000088970 [0,0,0,1,0,0|2,0,1]=4 2924 B14R1.963 CCOC(=O)COCCN1CCC1C 34a_100000755817_100000088970 [0,0,0,1,0,0|2,0,1]=4 2925 B14R1.965 CCCC(=O)CN1CCCCC1CC 2230a_100000210034_100000747444 [0,0,0,1,0,0|2,0,1]=4 2926 B14R1.965 CCCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747444 [0,0,0,1,0,0|2,0,1]=4 2927 B14R1.965 CCNC(=O)CN1CCCCC1CC 2230a_100000210034_100000183381 [0,0,0,1,0,0|2,0,1]=4 2928 B14R1.965 CCNC(=O)CN1CCCCC1CC 269982a_100000210034_100000183381 [0,0,0,1,0,0|2,0,1]=4 2929 B14R1.965 CCNC(=O)CN1CCCCC1CC 34a_100000210034_100000183381 [0,0,0,1,0,0|2,0,1]=4 2930 B14R1.965 CCOC(=O)CC1CCCCN1CC 2230a_100116209990_100000210202 [0,0,0,1,0,0|1,0,2]=4 2931 B14R1.965 CCOC(=O)CC1CCCCN1CC 269982a_100116209990_100000204670 [0,0,0,1,0,0|1,0,2]=4 2932 B14R1.965 CCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000188475 [0,0,0,1,0,0|1,0,1]=3 2933 B14R1.965 CCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000188475 [0,0,0,1,0,0|1,0,1]=3 2934 B14R1.965 CCOC(=O)CN1CCCCC1CC 34a_100000210034_100000188475 [0,0,0,1,0,0|1,0,1]=3 2935 B14R1.965 CCOC(=O)CN1CCCCC1CO 2230a_100000210821_100000188475 [0,0,0,1,0,0|2,0,1]=4 2936 B14R1.965 CCOC(=O)CN1CCCCC1CO 269982a_100000210821_100000188475 [0,0,0,1,0,0|2,0,1]=4 2937 B14R1.965 CCOC(=O)CN1CCCCC1CO 34a_100000210821_100000188475 [0,0,0,1,0,0|2,0,1]=4 2938 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000188475 [0,0,0,1,0,0|2,0,1]=4 2939 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000188475 [0,0,0,1,0,0|2,0,1]=4 2940 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 34a_100016988097_100000188475 [0,0,0,1,0,0|2,0,1]=4 2941 B14R1.3126 CCCCCNN=C1C=C(OC1C)C 4a_100000694160_100000040871 [0,0,0,1,0,0|3,0,0]=4 2942 B14R1.3126 CCCCCOCc1cc(oc1C)C 34a_100000688432_100000718602 [0,0,0,1,0,0|2,0,1]=4 2943 B14R1.3126 CCCCCOCc1cc(oc1C)C 7a_100000688432_100000210326 [0,0,0,1,0,0|2,0,1]=4 2944 B14R1.3126 CCCCCSCc1oc(=O)oc1C 62a_100000210326_100000068490 [0,0,0,1,0,0|2,0,1]=4 2945 B14R1.6816 CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210670 [0,0,0,1,0,0|1,0,2]=4 2946 B14R1.6816 CCCCCCCCNC(=O)C1CC1 11a_100000229939_100000210395 [0,0,0,1,0,0|2,0,1]=4 2947 B14R1.6816 CCCCCCCCNC(=O)C1CC1 1626a_100000229939_100000210395 [0,0,0,1,0,0|2,0,1]=4 2948 B14R1.6816 CCCCCCCCNC(=O)C1CC1 240690a_100000229939_100000210395 [0,0,0,1,0,0|2,0,1]=4 2949 B14R1.6816 CCCCCCCCNC(=O)C1CC1 527a_100000229939_100000210395 [0,0,0,1,0,0|2,0,1]=4 2950 B14R1.6816 CCCCCCCNCC(=O)C1CC1 2230a_100000229938_100000746382 [0,0,0,1,0,0|2,0,1]=4 2951 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000210272_100000746382 [0,0,0,1,0,0|2,0,1]=4 2952 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210614 [0,0,0,1,0,0|2,0,1]=4 2953 B14R1.6816 CCCCCCCOCC(=O)C1CC1 7a_100000210272_100000746382 [0,0,0,1,0,0|2,0,1]=4 2954 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000210614_100000746382 [0,0,0,1,0,0|2,0,1]=4 2955 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210316 [0,0,0,1,0,0|2,0,1]=4 2956 B14R1.7119 CCCC(=O)N1CCCCCCCC1 11a_100000039187_100000211992 [0,0,0,1,0,0|2,0,1]=4 2957 B14R1.7119 CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211992 [0,0,0,1,0,0|2,0,1]=4 2958 B14R1.7119 CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211992 [0,0,0,1,0,0|2,0,1]=4 2959 B14R1.7119 CCCC(=O)N1CCCCCCCC1 527a_100000039187_100000211992 [0,0,0,1,0,0|2,0,1]=4 2960 B14R1.7119 CCNC(=O)N1CCCCCCCC1 2708a_100015525214_100000039187 [0,0,0,1,0,0|2,0,1]=4 2961 B14R1.7119 CCNC(=O)N1CCCCCCCC1 273464a_100015525214_100000039187 [0,0,0,1,0,0|2,0,1]=4 2962 B14R1.7146 CCCC(=O)CNC1CCCCCC1 2230a_100000210984_100000747444 [0,0,0,1,0,0|2,0,1]=4 2963 B14R1.7146 CCCC(=O)COC1CCCCCC1 7a_100000210887_100000747444 [0,0,0,1,0,0|2,0,1]=4 2964 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100000747444_100011217769 [0,0,0,1,0,0|2,0,1]=4 2965 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100011217769_100000747444 [0,0,0,1,0,0|2,0,1]=4 2966 B14R1.7146 CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000211992 [0,0,0,1,0,0|2,0,1]=4 2967 B14R1.7146 CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211992 [0,0,0,1,0,0|2,0,1]=4 2968 B14R1.7146 CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211992 [0,0,0,1,0,0|2,0,1]=4 2969 B14R1.7146 CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000211992 [0,0,0,1,0,0|2,0,1]=4 2970 B14R1.7146 CCNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183381 [0,0,0,1,0,0|2,0,1]=4 2971 B14R1.7146 CCNC(=O)CNC1CCCCCC1 270004a_100016988866_100000210131 [0,0,0,1,0,0|2,0,1]=4 2972 B14R1.7146 CCNC(=O)CNC1CCCCCC1 34a_100000210984_100000183381 [0,0,0,1,0,0|2,0,1]=4 2973 B14R1.7146 CCNC(=O)COC1CCCCCC1 34a_100000210887_100000183381 [0,0,0,1,0,0|2,0,1]=4 2974 B14R1.7146 CCNC(=O)COC1CCCCCC1 7a_100000210887_100000183381 [0,0,0,1,0,0|2,0,1]=4 2975 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100000183381_100011217769 [0,0,0,1,0,0|2,0,1]=4 2976 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100011217769_100000183381 [0,0,0,1,0,0|2,0,1]=4 2977 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015204231_100015525214 [0,0,0,1,0,0|2,0,1]=4 2978 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015525214_100015204231 [0,0,0,1,0,0|2,0,1]=4 2979 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015204231_100015525214 [0,0,0,1,0,0|2,0,1]=4 2980 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015525214_100015204231 [0,0,0,1,0,0|2,0,1]=4 2981 B14R1.7146 CCNC(=O)NCC1CCCCCC1 512a_100015525214_100015204231 [0,0,0,1,0,0|2,0,1]=4 2982 B14R1.7146 CCOC(=O)CCN1CCCCCC1 2230a_100000185865_100011206558 [0,0,0,1,0,0|1,0,2]=4 2983 B14R1.7146 CCOC(=O)CCN1CCCCCC1 269982a_100000185865_100011206558 [0,0,0,1,0,0|1,0,2]=4 2984 B14R1.7146 CCOC(=O)CCN1CCCCCC1 34a_100000185865_100000765890 [0,0,0,1,0,0|1,0,2]=4 2985 B14R1.7146 CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000188475 [0,0,0,1,0,0|1,0,1]=3 2986 B14R1.7146 CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000188475 [0,0,0,1,0,0|1,0,1]=3 2987 B14R1.7146 CCOC(=O)COC1CCCCCC1 34a_100000210887_100000188475 [0,0,0,1,0,0|1,0,1]=3 2988 B14R1.7146 CCOC(=O)COC1CCCCCC1 7a_100000210887_100000188475 [0,0,0,1,0,0|1,0,1]=3 2989 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100000188475_100011217769 [0,0,0,1,0,0|1,0,1]=3 2990 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000188475 [0,0,0,1,0,0|1,0,1]=3 2991 B14R1.7343 CCCC(=O)CN1CCCCCCC1 2230a_100000211400_100000747444 [0,0,0,1,0,0|2,0,1]=4 2992 B14R1.7343 CCCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747444 [0,0,0,1,0,0|2,0,1]=4 2993 B14R1.7343 CCCC(=O)NC1CCCCCCC1 11a_100000211152_100000211992 [0,0,0,1,0,0|2,0,1]=4 2994 B14R1.7343 CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211992 [0,0,0,1,0,0|2,0,1]=4 2995 B14R1.7343 CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211992 [0,0,0,1,0,0|2,0,1]=4 2996 B14R1.7343 CCCC(=O)NC1CCCCCCC1 527a_100000211152_100000211992 [0,0,0,1,0,0|2,0,1]=4 2997 B14R1.7343 CCNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183381 [0,0,0,1,0,0|2,0,1]=4 2998 B14R1.7343 CCNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183381 [0,0,0,1,0,0|2,0,1]=4 2999 B14R1.7343 CCNC(=O)CN1CCCCCCC1 34a_100000211400_100000183381 [0,0,0,1,0,0|2,0,1]=4 3000 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100000211152_100015525214 [0,0,0,1,0,0|2,0,1]=4 3001 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100015525214_100000211152 [0,0,0,1,0,0|2,0,1]=4 3002 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100000211152_100015525214 [0,0,0,1,0,0|2,0,1]=4 3003 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100015525214_100000211152 [0,0,0,1,0,0|2,0,1]=4 3004 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100000211152_100015525214 [0,0,0,1,0,0|2,0,1]=4 3005 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100015525214_100000211152 [0,0,0,1,0,0|2,0,1]=4 3006 B14R1.7343 CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000188475 [0,0,0,1,0,0|1,0,1]=3 3007 B14R1.7343 CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000188475 [0,0,0,1,0,0|1,0,1]=3 3008 B14R1.7343 CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000188475 [0,0,0,1,0,0|1,0,1]=3 3009 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [2,0,0,0,0,0|1,0,1]=4 3010 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [2,0,0,0,0,0|1,0,1]=4 3011 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [2,0,0,0,0,0|1,0,1]=4 3012 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [2,0,0,0,0,0|1,0,1]=4 3013 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [2,0,0,0,0,0|1,0,1]=4 3014 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [2,0,0,0,0,0|1,0,1]=4 3015 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [2,0,0,0,0,0|1,0,1]=4 3016 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [2,0,0,0,0,0|1,0,1]=4 3017 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [2,0,0,0,0,0|1,0,1]=4 3018 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [2,0,0,0,0,0|1,0,1]=4 3019 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [2,0,0,0,0,0|1,0,1]=4 3020 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [2,0,0,0,0,0|1,0,1]=4 3021 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [2,0,0,0,0,0|1,0,1]=4 3022 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [2,0,0,0,0,0|1,0,1]=4 3023 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [2,0,0,0,0,0|1,0,1]=4 3024 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [2,0,0,0,0,0|1,0,1]=4 3025 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [2,0,0,0,0,0|1,0,1]=4 3026 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [2,0,0,0,0,0|1,0,1]=4 3027 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [2,0,0,0,0,0|1,0,1]=4 3028 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [2,0,0,0,0,0|1,0,1]=4 3029 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [2,0,0,0,0,0|1,0,1]=4 3030 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [2,0,0,0,0,0|1,0,1]=4 3031 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [2,0,0,0,0,0|1,0,1]=4 3032 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [2,0,0,0,0,0|2,0,0]=4 3033 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [2,0,0,0,0,0|0,0,1]=3 3034 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [2,0,0,0,0,0|0,0,1]=3 3035 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [2,0,0,0,0,0|1,0,1]=4 3036 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [2,0,0,0,0,0|1,0,1]=4 3037 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [2,0,0,0,0,0|2,0,0]=4 3038 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|0,0,2]=4 3039 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|0,0,2]=4 3040 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|0,0,2]=4 3041 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [2,0,0,0,0,0|1,0,1]=4 3042 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [2,0,0,0,0,0|1,0,1]=4 3043 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [2,0,0,0,0,0|1,0,1]=4 3044 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [2,0,0,0,0,0|1,0,1]=4 3045 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [2,0,0,0,0,0|2,0,0]=4 3046 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [2,0,0,0,0,0|2,0,0]=4 3047 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [2,0,0,0,0,0|2,0,0]=4 3048 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [2,0,0,0,0,0|2,0,0]=4 3049 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [2,0,0,0,0,0|1,0,0]=3 3050 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [2,0,0,0,0,0|2,0,0]=4 3051 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [2,0,0,0,0,0|2,0,0]=4 3052 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [2,0,0,0,0,0|1,0,0]=3 3053 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [2,0,0,0,0,0|1,0,0]=3 3054 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [2,0,0,0,0,0|2,0,0]=4 3055 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [2,0,0,0,0,0|1,0,0]=3 3056 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [2,0,0,0,0,0|1,0,0]=3 3057 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [2,0,0,0,0,0|2,0,0]=4 3058 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [2,0,0,0,0,0|2,0,0]=4 3059 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [2,0,0,0,0,0|2,0,0]=4 3060 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [2,0,0,0,0,0|2,0,0]=4 3061 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [2,0,0,0,0,0|2,0,0]=4 3062 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 3063 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 3064 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 3065 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [2,0,0,0,0,0|2,0,0]=4 3066 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [2,0,0,0,0,0|1,0,1]=4 3067 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [2,0,0,0,0,0|1,0,1]=4 3068 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [2,0,0,0,0,0|1,0,1]=4 3069 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 3070 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 3071 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 3072 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 3073 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 3074 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 3075 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 3076 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 3077 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 3078 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 3079 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [2,0,0,0,0,0|2,0,0]=4 3080 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [2,0,0,0,0,0|2,0,0]=4 3081 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [2,0,0,0,0,0|2,0,0]=4 3082 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [2,0,0,0,0,0|1,0,0]=3 3083 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [2,0,0,0,0,0|2,0,0]=4 3084 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 3085 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 3086 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [2,0,0,0,0,0|1,0,0]=3 3087 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [2,0,0,0,0,0|1,0,0]=3 3088 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [2,0,0,0,0,0|2,0,0]=4 3089 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [2,0,0,0,0,0|2,0,0]=4 3090 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [2,0,0,0,0,0|2,0,0]=4 3091 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [2,0,0,0,0,0|2,0,0]=4 3092 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [2,0,0,0,0,0|1,0,0]=3 3093 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [2,0,0,0,0,0|1,0,0]=3 3094 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [2,0,0,0,0,0|2,0,0]=4 3095 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [2,0,0,0,0,0|2,0,0]=4 3096 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [2,0,0,0,0,0|2,0,0]=4 3097 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [2,0,0,0,0,0|1,0,0]=3 3098 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [2,0,0,0,0,0|1,0,0]=3 3099 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [2,0,0,0,0,0|2,0,0]=4 3100 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [2,0,0,0,0,0|2,0,0]=4 3101 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [2,0,0,0,0,0|2,0,0]=4 3102 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [2,0,0,0,0,0|1,0,0]=3 3103 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [2,0,0,0,0,0|1,0,0]=3 3104 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [2,0,0,0,0,0|2,0,0]=4 3105 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [2,0,0,0,0,0|2,0,0]=4 3106 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [2,0,0,0,0,0|1,0,0]=3 3107 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [2,0,0,0,0,0|1,0,0]=3 3108 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [2,0,0,0,0,0|2,0,0]=4 3109 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [2,0,0,0,0,0|1,0,0]=3 3110 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [2,0,0,0,0,0|1,0,0]=3 3111 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [2,0,0,0,0,0|1,0,0]=3 3112 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [2,0,0,0,0,0|2,0,0]=4 3113 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [2,0,0,0,0,0|1,0,0]=3 3114 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [2,0,0,0,0,0|1,0,0]=3 3115 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [2,0,0,0,0,0|1,0,0]=3 3116 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [2,0,0,0,0,0|1,0,0]=3 3117 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [2,0,0,0,0,0|2,0,0]=4 3118 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [2,0,0,0,0,0|2,0,0]=4 3119 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 3120 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 3121 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 3122 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [2,0,0,0,0,0|1,0,0]=3 3123 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [2,0,0,0,0,0|2,0,0]=4 3124 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [2,0,0,0,0,0|2,0,0]=4 3125 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [2,0,0,0,0,0|2,0,0]=4 3126 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [2,0,0,0,0,0|2,0,0]=4 3127 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [2,0,0,0,0,0|2,0,0]=4 3128 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [2,0,0,0,0,0|2,0,0]=4 3129 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [2,0,0,0,0,0|2,0,0]=4 3130 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [2,0,0,0,0,0|2,0,0]=4 3131 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [2,0,0,0,0,0|2,0,0]=4 3132 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [2,0,0,0,0,0|2,0,0]=4 3133 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [2,0,0,0,0,0|2,0,0]=4 3134 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [2,0,0,0,0,0|2,0,0]=4 3135 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [2,0,0,0,0,0|2,0,0]=4 3136 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [2,0,0,0,0,0|2,0,0]=4 3137 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [2,0,0,0,0,0|1,0,0]=3 3138 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [2,0,0,0,0,0|1,0,0]=3 3139 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [2,0,0,0,0,0|1,0,0]=3 3140 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [2,0,0,0,0,0|1,0,0]=3 3141 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [2,0,0,0,0,0|1,0,0]=3 3142 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [2,0,0,0,0,0|1,0,0]=3 3143 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [2,0,0,0,0,0|1,0,0]=3 3144 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [2,0,0,0,0,0|1,0,0]=3 3145 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [2,0,0,0,0,0|1,0,0]=3 3146 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [2,0,0,0,0,0|1,0,0]=3 3147 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [2,0,0,0,0,0|1,0,0]=3 3148 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [2,0,0,0,0,0|1,0,0]=3 3149 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [2,0,0,0,0,0|2,0,0]=4 3150 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [2,0,0,0,0,0|2,0,0]=4 3151 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [2,0,0,0,0,0|2,0,0]=4 3152 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [2,0,0,0,0,0|2,0,0]=4 3153 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [2,0,0,0,0,0|2,0,0]=4 3154 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [2,0,0,0,0,0|2,0,0]=4 3155 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [2,0,0,0,0,0|2,0,0]=4 3156 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [2,0,0,0,0,0|2,0,0]=4 3157 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [2,0,0,0,0,0|2,0,0]=4 3158 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [2,0,0,0,0,0|2,0,0]=4 3159 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [2,0,0,0,0,0|2,0,0]=4 3160 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [2,0,0,0,0,0|2,0,0]=4 3161 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [2,0,0,0,0,0|2,0,0]=4 3162 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [2,0,0,0,0,0|2,0,0]=4 3163 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [2,0,0,0,0,0|2,0,0]=4 3164 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [2,0,0,0,0,0|2,0,0]=4 3165 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [2,0,0,0,0,0|2,0,0]=4 3166 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [2,0,0,0,0,0|2,0,0]=4 3167 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [2,0,0,0,0,0|2,0,0]=4 3168 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [2,0,0,0,0,0|2,0,0]=4 3169 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [2,0,0,0,0,0|2,0,0]=4 3170 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [2,0,0,0,0,0|2,0,0]=4 3171 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [2,0,0,0,0,0|2,0,0]=4 3172 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [2,0,0,0,0,0|2,0,0]=4 3173 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [2,0,0,0,0,0|2,0,0]=4 3174 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [2,0,0,0,0,0|2,0,0]=4 3175 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [2,0,0,0,0,0|2,0,0]=4 3176 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [2,0,0,0,0,0|2,0,0]=4 3177 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [2,0,0,0,0,0|2,0,0]=4 3178 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [2,0,0,0,0,0|2,0,0]=4 3179 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [2,0,0,0,0,0|2,0,0]=4 3180 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [2,0,0,0,0,0|2,0,0]=4 3181 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [2,0,0,0,0,0|2,0,0]=4 3182 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [2,0,0,0,0,0|2,0,0]=4 3183 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [2,0,0,0,0,0|2,0,0]=4 3184 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [2,0,0,0,0,0|2,0,0]=4 3185 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 3186 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 3187 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [2,0,0,0,0,0|2,0,0]=4 3188 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [2,0,0,0,0,0|2,0,0]=4 3189 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [2,0,0,0,0,0|2,0,0]=4 3190 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [2,0,0,0,0,0|2,0,0]=4 3191 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 3192 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 3193 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [2,0,0,0,0,0|2,0,0]=4 3194 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [2,0,0,0,0,0|2,0,0]=4 3195 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [2,0,0,0,0,0|2,0,0]=4 3196 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 3197 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [2,0,0,0,0,0|2,0,0]=4 3198 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [2,0,0,0,0,0|2,0,0]=4 3199 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [2,0,0,0,0,0|2,0,0]=4 3200 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [2,0,0,0,0,0|2,0,0]=4 3201 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [2,0,0,0,0,0|2,0,0]=4 3202 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [2,0,0,0,0,0|2,0,0]=4 3203 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [2,0,0,0,0,0|2,0,0]=4 3204 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [2,0,0,0,0,0|2,0,0]=4 3205 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [2,0,0,0,0,0|2,0,0]=4 3206 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [2,0,0,0,0,0|2,0,0]=4 3207 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [2,0,0,0,0,0|2,0,0]=4 3208 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [2,0,0,0,0,0|2,0,0]=4 3209 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [2,0,0,0,0,0|2,0,0]=4 3210 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [2,0,0,0,0,0|2,0,0]=4 3211 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [2,0,0,0,0,0|2,0,0]=4 3212 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [2,0,0,0,0,0|2,0,0]=4 3213 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [2,0,0,0,0,0|2,0,0]=4 3214 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [2,0,0,0,0,0|2,0,0]=4 3215 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [2,0,0,0,0,0|2,0,0]=4 3216 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 3217 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [2,0,0,0,0,0|2,0,0]=4 3218 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [2,0,0,0,0,0|2,0,0]=4 3219 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [2,0,0,0,0,0|2,0,0]=4 3220 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [2,0,0,0,0,0|2,0,0]=4 3221 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [2,0,0,0,0,0|1,0,0]=3 3222 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [2,0,0,0,0,0|2,0,0]=4 3223 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [2,0,0,0,0,0|2,0,0]=4 3224 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [2,0,0,0,0,0|2,0,0]=4 3225 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [2,0,0,0,0,0|2,0,0]=4 3226 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [2,0,0,0,0,0|2,0,0]=4 3227 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [2,0,0,0,0,0|2,0,0]=4 3228 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [2,0,0,0,0,0|2,0,0]=4 3229 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [2,0,0,0,0,0|2,0,0]=4 3230 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [2,0,0,0,0,0|2,0,0]=4 3231 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [2,0,0,0,0,0|2,0,0]=4 3232 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [2,0,0,0,0,0|1,0,1]=4 3233 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [2,0,0,0,0,0|1,0,1]=4 3234 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [2,0,0,0,0,0|1,0,1]=4 3235 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [2,0,0,0,0,0|2,0,0]=4 3236 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [2,0,0,0,0,0|2,0,0]=4 3237 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 3238 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 3239 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 3240 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 3241 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [2,0,0,0,0,0|0,0,2]=4 3242 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [2,0,0,0,0,0|0,0,0]=2 3243 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [2,0,0,0,0,0|1,0,0]=3 3244 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [2,0,0,0,0,0|1,0,0]=3 3245 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [2,0,0,0,0,0|1,0,0]=3 3246 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [2,0,0,0,0,0|1,0,0]=3 3247 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [2,0,0,0,0,0|0,0,1]=3 3248 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [2,0,0,0,0,0|0,0,1]=3 3249 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [2,0,0,0,0,0|1,0,1]=4 3250 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [2,0,0,0,0,0|1,0,1]=4 3251 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [2,0,0,0,0,0|1,0,1]=4 3252 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [2,0,0,0,0,0|1,0,1]=4 3253 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [2,0,0,0,0,0|1,0,1]=4 3254 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [2,0,0,0,0,0|1,0,1]=4 3255 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 3256 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 3257 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 3258 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 3259 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [2,0,0,0,0,0|2,0,0]=4 3260 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [2,0,0,0,0,0|2,0,0]=4 3261 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [2,0,0,0,0,0|2,0,0]=4 3262 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 3263 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 3264 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 3265 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 3266 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [2,0,0,0,0,0|2,0,0]=4 3267 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [2,0,0,0,0,0|1,0,1]=4 3268 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [2,0,0,0,0,0|1,0,1]=4 3269 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [2,0,0,0,0,0|1,0,1]=4 3270 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [2,0,0,0,0,0|1,0,1]=4 3271 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [2,0,0,0,0,0|1,0,1]=4 3272 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [2,0,0,0,0,0|1,0,1]=4 3273 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [2,0,0,0,0,0|1,0,1]=4 3274 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [2,0,0,0,0,0|1,0,1]=4 3275 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [2,0,0,0,0,0|1,0,1]=4 3276 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [2,0,0,0,0,0|1,0,1]=4 3277 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [2,0,0,0,0,0|2,0,0]=4 3278 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [2,0,0,0,0,0|1,0,1]=4 3279 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [2,0,0,0,0,0|1,0,1]=4 3280 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [2,0,0,0,0,0|1,0,1]=4 3281 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [2,0,0,0,0,0|1,0,1]=4 3282 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [2,0,0,0,0,0|2,0,0]=4 3283 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [2,0,0,0,0,0|1,0,0]=3 3284 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [2,0,0,0,0,0|1,0,0]=3 3285 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [2,0,0,0,0,0|1,0,1]=4 3286 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [2,0,0,0,0,0|1,0,1]=4 3287 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [2,0,0,0,0,0|2,0,0]=4 3288 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [2,0,0,0,0,0|1,0,0]=3 3289 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [2,0,0,0,0,0|1,0,0]=3 3290 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [2,0,0,0,0,0|1,0,1]=4 3291 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [2,0,0,0,0,0|1,0,1]=4 3292 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [2,0,0,0,0,0|2,0,0]=4 3293 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [2,0,0,0,0,0|2,0,0]=4 3294 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [2,0,0,0,0,0|2,0,0]=4 3295 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [2,0,0,0,0,0|2,0,0]=4 3296 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [2,0,0,0,0,0|2,0,0]=4 3297 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [2,0,0,0,0,0|1,0,0]=3 3298 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [2,0,0,0,0,0|1,0,0]=3 3299 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [2,0,0,0,0,0|1,0,1]=4 3300 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [2,0,0,0,0,0|1,0,1]=4 3301 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 3302 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 3303 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 3304 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 3305 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [2,0,0,0,0,0|1,0,1]=4 3306 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [2,0,0,0,0,0|1,0,1]=4 3307 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [2,0,0,0,0,0|1,0,1]=4 3308 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 3309 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 3310 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 3311 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [2,0,0,0,0,0|1,0,1]=4 3312 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [2,0,0,0,0,0|1,0,1]=4 3313 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [2,0,0,0,0,0|1,0,1]=4 3314 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [2,0,0,0,0,0|1,0,1]=4 3315 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [2,0,0,0,0,0|1,0,1]=4 3316 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [2,0,0,0,0,0|1,0,1]=4 3317 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [2,0,0,0,0,0|2,0,0]=4 3318 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [2,0,0,0,0,0|2,0,0]=4 3319 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [2,0,0,0,0,0|1,0,1]=4 3320 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [2,0,0,0,0,0|1,0,1]=4 3321 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [2,0,0,0,0,0|1,0,1]=4 3322 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [2,0,0,0,0,0|1,0,1]=4 3323 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [2,0,0,0,0,0|1,0,1]=4 3324 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [2,0,0,0,0,0|2,0,0]=4 3325 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [2,0,0,0,0,0|2,0,0]=4 3326 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [2,0,0,0,0,0|2,0,0]=4 3327 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [2,0,0,0,0,0|2,0,0]=4 3328 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [2,0,0,0,0,0|2,0,0]=4 3329 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [2,0,0,0,0,0|2,0,0]=4 3330 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [2,0,0,0,0,0|2,0,0]=4 3331 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [2,0,0,0,0,0|2,0,0]=4 3332 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [2,0,0,0,0,0|2,0,0]=4 3333 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [2,0,0,0,0,0|2,0,0]=4 3334 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [2,0,0,0,0,0|2,0,0]=4 3335 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [2,0,0,0,0,0|2,0,0]=4 3336 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [2,0,0,0,0,0|2,0,0]=4 3337 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [2,0,0,0,0,0|2,0,0]=4 3338 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [2,0,0,0,0,0|2,0,0]=4 3339 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [2,0,0,0,0,0|1,0,1]=4 3340 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [2,0,0,0,0,0|1,0,1]=4 3341 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [2,0,0,0,0,0|1,0,1]=4 3342 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [2,0,0,0,0,0|1,0,1]=4 3343 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [2,0,0,0,0,0|1,0,1]=4 3344 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [2,0,0,0,0,0|1,0,1]=4 3345 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [2,0,0,0,0,0|1,0,1]=4 3346 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [2,0,0,0,0,0|1,0,1]=4 3347 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [2,0,0,0,0,0|1,0,1]=4 3348 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [2,0,0,0,0,0|2,0,0]=4 3349 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [2,0,0,0,0,0|2,0,0]=4 3350 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [2,0,0,0,0,0|2,0,0]=4 3351 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [2,0,0,0,0,0|2,0,0]=4 3352 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [2,0,0,0,0,0|0,0,2]=4 3353 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [2,0,0,0,0,0|0,0,2]=4 3354 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [2,0,0,0,0,0|0,0,0]=2 3355 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [2,0,0,0,0,0|0,0,0]=2 3356 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|0,0,2]=4 3357 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|0,0,2]=4 3358 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|0,0,2]=4 3359 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [2,0,0,0,0,0|1,0,1]=4 3360 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [2,0,0,0,0,0|1,0,1]=4 3361 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [2,0,0,0,0,0|1,0,1]=4 3362 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [2,0,0,0,0,0|1,0,1]=4 3363 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [2,0,0,0,0,0|1,0,1]=4 3364 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [2,0,0,0,0,0|1,0,1]=4 3365 B13R0.66 C#CCCC(=O)C=CCCCCCC 1458a_200015324643_100000753159 [1,1,0,0,0,0|1,0,1]=4 3366 B13R0.66 C#CCNC(=O)C=CCCCCCC 11a_100000212058_200015324643 [1,1,0,0,0,0|1,0,1]=4 3367 B13R0.66 C#CCNC(=O)C=CCCCCCC 1626a_100000212058_200015324643 [1,1,0,0,0,0|1,0,1]=4 3368 B13R0.66 C#CCNC(=O)C=CCCCCCC 240690a_100000212058_200015324643 [1,1,0,0,0,0|1,0,1]=4 3369 B13R0.66 C/C=C/CC(=O)C=CCCCCCC 1458a_200015324643_100102629194 [1,1,0,0,0,0|1,0,1]=4 3370 B13R0.66 C=CCCC(=O)C=CCCCCCC 1458a_200015324643_100000754431 [1,1,0,0,0,0|1,0,1]=4 3371 B13R0.66 C=CCNC(=O)C=CCCCCCC 1626a_100020586998_200015324643 [1,1,0,0,0,0|1,0,1]=4 3372 B13R0.66 C=CCNC(=O)C=CCCCCCC 240690a_100020586998_200015324643 [1,1,0,0,0,0|1,0,1]=4 3373 B13R0.66 CC#CCC(=O)C=CCCCCCC 1458a_200015324643_100000748600 [1,1,0,0,0,0|1,0,1]=4 3374 B13R0.66 CC=CCC(=O)C=CCCCCCC 1458a_200015324643_100000070051 [1,1,0,0,0,0|1,0,1]=4 3375 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [1,1,0,0,0,0|1,0,1]=4 3376 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [1,1,0,0,0,0|1,0,1]=4 3377 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [1,1,0,0,0,0|2,0,0]=4 3378 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [1,1,0,0,0,0|2,0,0]=4 3379 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [1,1,0,0,0,0|2,0,0]=4 3380 B13R0.66 CCCCCCC=CC(=NNCC)C 4a_100000756455_200020667302 [1,1,0,0,0,0|2,0,0]=4 3381 B13R0.66 CCCCCCC=CC(=O)CCC#N 1458a_200015324643_100011215226 [1,1,0,0,0,0|1,0,1]=4 3382 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [1,1,0,0,0,0|1,0,0]=3 3383 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [1,1,0,0,0,0|1,0,0]=3 3384 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [1,1,0,0,0,0|1,0,0]=3 3385 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [1,1,0,0,0,0|1,0,0]=3 3386 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [1,1,0,0,0,0|1,0,0]=3 3387 B13R0.66 CCCCCCC=CC(=O)NCC#N 1626a_100000734998_200015324643 [1,1,0,0,0,0|1,0,1]=4 3388 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [1,1,0,0,0,0|1,0,0]=3 3389 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [1,1,0,0,0,0|1,0,0]=3 3390 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [1,1,0,0,0,0|1,0,0]=3 3391 B13R0.66 CCCCCCC=CC(=O)NCCF 11a_100000724931_200015324643 [1,1,0,0,0,0|1,0,0]=3 3392 B13R0.66 CCCCCCC=CC(=O)NCCF 1626a_100000724931_200015324643 [1,1,0,0,0,0|1,0,0]=3 3393 B13R0.66 CCCCCCC=CC(=O)NCCF 240690a_100000724931_200015324643 [1,1,0,0,0,0|1,0,0]=3 3394 B13R0.66 CCCCCCC=CC(=O)NCCO 240690a_100000210304_200015324643 [1,1,0,0,0,0|1,0,0]=3 3395 B13R0.66 CCCCCCC=CC(=O)NNCC 22a_100000756455_200015324643 [1,1,0,0,0,0|1,0,0]=3 3396 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [1,1,0,0,0,0|1,0,1]=4 3397 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [1,1,0,0,0,0|1,0,1]=4 3398 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [1,1,0,0,0,0|1,0,1]=4 3399 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [1,1,0,0,0,0|1,0,1]=4 3400 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [1,1,0,0,0,0|1,0,1]=4 3401 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [1,1,0,0,0,0|1,0,1]=4 3402 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [1,1,0,0,0,0|1,0,1]=4 3403 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [1,1,0,0,0,0|1,0,1]=4 3404 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [1,1,0,0,0,0|0,0,1]=3 3405 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [1,1,0,0,0,0|0,1,1]=4 3406 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 3407 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 3408 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 3409 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [1,1,0,0,0,0|1,0,1]=4 3410 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 3411 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 3412 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 3413 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [1,1,0,0,0,0|1,0,1]=4 3414 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [1,1,0,0,0,0|1,0,1]=4 3415 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [1,1,0,0,0,0|1,0,1]=4 3416 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [1,1,0,0,0,0|1,0,1]=4 3417 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 3418 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 3419 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 3420 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 3421 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 3422 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 3423 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 3424 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 3425 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 3426 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 3427 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 3428 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 3429 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 3430 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 3431 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 3432 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 3433 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 3434 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 3435 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 3436 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 3437 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [1,1,0,0,0,0|2,0,0]=4 3438 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [1,1,0,0,0,0|2,0,0]=4 3439 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [1,1,0,0,0,0|2,0,0]=4 3440 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [1,1,0,0,0,0|2,0,0]=4 3441 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [1,1,0,0,0,0|2,0,0]=4 3442 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [1,1,0,0,0,0|2,0,0]=4 3443 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 3444 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 3445 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [1,1,0,0,0,0|2,0,0]=4 3446 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 3447 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 3448 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [1,1,0,0,0,0|2,0,0]=4 3449 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 3450 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 3451 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [1,1,0,0,0,0|2,0,0]=4 3452 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [1,1,0,0,0,0|2,0,0]=4 3453 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [1,1,0,0,0,0|2,0,0]=4 3454 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [1,1,0,0,0,0|1,0,1]=4 3455 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [1,1,0,0,0,0|1,0,1]=4 3456 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [1,1,0,0,0,0|1,0,1]=4 3457 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [1,1,0,0,0,0|1,0,1]=4 3458 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [1,1,0,0,0,0|1,0,1]=4 3459 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [1,1,0,0,0,0|2,0,0]=4 3460 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [1,1,0,0,0,0|2,0,0]=4 3461 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [1,1,0,0,0,0|2,0,0]=4 3462 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 3463 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 3464 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 3465 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 3466 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 3467 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 3468 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 3469 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [1,1,0,0,0,0|1,0,1]=4 3470 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [1,1,0,0,0,0|1,0,1]=4 3471 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [1,1,0,0,0,0|2,0,0]=4 3472 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [1,1,0,0,0,0|2,0,0]=4 3473 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 3474 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 3475 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 3476 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 3477 B13R0.87 CCOC(=O)/C=C/CNCC(C)CC 2230a_100020588543_100016267167 [1,1,0,0,0,0|1,0,0]=3 3478 B13R0.87 CCOC(=O)/C=C/CNCC(C)CO 34a_100000744482_100016267167 [1,1,0,0,0,0|2,0,0]=4 3479 B13R0.87 CCOC(=O)/C=C/CNCC(O)CC 2230a_100011218483_100016267167 [1,1,0,0,0,0|1,0,0]=3 3480 B13R0.87 CCOC(=O)/C=C/CNC[C@@H](C)OC 2230a_100020591295_100016267167 [1,1,0,0,0,0|2,0,0]=4 3481 B13R0.87 CCOC(=O)/C=C/CNC[C@@H](F)CO 34a_100015665980_100016267167 [1,1,0,0,0,0|2,0,0]=4 3482 B13R0.87 CCOC(=O)/C=C/CNC[C@H](O)CO 2230a_100020644852_100016267167 [1,1,0,0,0,0|2,0,0]=4 3483 B13R0.87 CCOC(=O)/C=C/COCC(=O)CC 34a_100000725409_100016267167 [1,1,0,0,0,0|1,0,1]=4 3484 B13R0.87 CCOC(=O)/C=C/COCC(C)CN 34a_100000744482_100016267167 [1,1,0,0,0,0|2,0,0]=4 3485 B13R0.87 CCOC(=O)/C=C/COCC(C)OC 34a_100000690652_100016267167 [1,1,0,0,0,0|2,0,0]=4 3486 B13R0.87 CCOC(=O)/C=C/COCC(Cl)CCl 34a_100000033668_100016267167 [1,1,0,0,0,0|2,0,0]=4 3487 B13R0.87 CCOC(=O)/C=C/COC[C@@H](C)CC 7a_100009816381_100016267167 [1,1,0,0,0,0|1,0,0]=3 3488 B13R0.87 CCOC(=O)/C=C/COC[C@H](F)CN 34a_100015665980_100016267167 [1,1,0,0,0,0|2,0,0]=4 3489 B13R0.87 CCOC(=O)/C=C/CSCC(=O)CC 62a_100000747405_100016267167 [1,1,0,0,0,0|1,0,1]=4 3490 B13R0.87 CCOC(=O)/C=C/CSCC(=O)CC 62a_100016267167_100000747405 [1,1,0,0,0,0|1,0,1]=4 3491 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100000748023_100016267167 [1,1,0,0,0,0|1,0,0]=3 3492 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100016267167_100000748023 [1,1,0,0,0,0|1,0,0]=3 3493 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100011218378_100016267167 [1,1,0,0,0,0|1,0,0]=3 3494 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100016267167_100011218378 [1,1,0,0,0,0|1,0,0]=3 3495 B13R0.87 CCOC(=O)/C=C/CSCC(O)CO 62a_100011219619_100016267167 [1,1,0,0,0,0|2,0,0]=4 3496 B13R0.87 CCOC(=O)/C=C/CSCC(O)CO 62a_100016267167_100011219619 [1,1,0,0,0,0|2,0,0]=4 3497 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100009816398_100016267167 [1,1,0,0,0,0|1,0,0]=3 3498 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100016267167_100009816398 [1,1,0,0,0,0|1,0,0]=3 3499 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CO 62a_100000059175_100016267167 [1,1,0,0,0,0|2,0,0]=4 3500 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CO 62a_100016267167_100000059175 [1,1,0,0,0,0|2,0,0]=4 3501 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CF 62a_100015614560_100016267167 [1,1,0,0,0,0|2,0,0]=4 3502 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CF 62a_100016267167_100015614560 [1,1,0,0,0,0|2,0,0]=4 3503 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CO 62a_100009815848_100016267167 [1,1,0,0,0,0|2,0,0]=4 3504 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CO 62a_100016267167_100009815848 [1,1,0,0,0,0|2,0,0]=4 3505 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [1,1,0,0,0,0|0,0,2]=4 3506 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [1,1,0,0,0,0|0,0,2]=4 3507 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [1,1,0,0,0,0|1,0,1]=4 3508 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [1,1,0,0,0,0|1,0,1]=4 3509 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [1,1,0,0,0,0|1,0,1]=4 3510 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [1,1,0,0,0,0|1,0,1]=4 3511 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [1,1,0,0,0,0|1,0,1]=4 3512 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [1,1,0,0,0,0|1,0,1]=4 3513 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [1,1,0,0,0,0|1,0,1]=4 3514 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [1,1,0,0,0,0|1,0,1]=4 3515 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [1,1,0,0,0,0|1,0,1]=4 3516 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [1,1,0,0,0,0|1,0,1]=4 3517 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [1,1,0,0,0,0|1,0,1]=4 3518 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [1,1,0,0,0,0|1,0,1]=4 3519 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [1,1,0,0,0,0|1,0,1]=4 3520 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [1,1,0,0,0,0|1,0,1]=4 3521 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [1,1,0,0,0,0|1,0,1]=4 3522 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [1,1,0,0,0,0|1,0,1]=4 3523 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [1,1,0,0,0,0|1,0,1]=4 3524 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [1,1,0,0,0,0|1,0,1]=4 3525 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [1,1,0,0,0,0|1,0,1]=4 3526 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [1,1,0,0,0,0|1,0,1]=4 3527 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [1,1,0,0,0,0|1,0,1]=4 3528 B13R0.87 CCOC(=O)NCCOCC(C)CC 34a_100000158857_100000748023 [1,1,0,0,0,0|2,0,0]=4 3529 B13R0.87 CCOC(=O)NCCOCC(O)CC 34a_100000158857_100011218378 [1,1,0,0,0,0|2,0,0]=4 3530 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 34a_100000158857_100009816398 [1,1,0,0,0,0|2,0,0]=4 3531 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 7a_100009816381_200011445536 [1,1,0,0,0,0|2,0,0]=4 3532 B13R0.87 CCOC(=O)NCCSCC(C)CC 62a_100000748023_200011445536 [1,1,0,0,0,0|2,0,0]=4 3533 B13R0.87 CCOC(=O)NCCSCC(O)CC 62a_100011218378_200011445536 [1,1,0,0,0,0|2,0,0]=4 3534 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CC 62a_100009816398_200011445536 [1,1,0,0,0,0|2,0,0]=4 3535 B13R0.88 C=C(C)CCOC/C=C/C(=O)OCC 34a_100000764851_100016267167 [1,1,0,0,0,0|1,0,1]=4 3536 B13R0.88 C=C(C)CCSC/C=C/C(=O)OCC 62a_100000730704_100016267167 [1,1,0,0,0,0|1,0,1]=4 3537 B13R0.88 C=C(C)CCSC/C=C/C(=O)OCC 62a_100016267167_100000730704 [1,1,0,0,0,0|1,0,1]=4 3538 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [1,1,0,0,0,0|1,0,1]=4 3539 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [1,1,0,0,0,0|2,0,0]=4 3540 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [1,1,0,0,0,0|2,0,0]=4 3541 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [1,1,0,0,0,0|2,0,0]=4 3542 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [1,1,0,0,0,0|1,0,1]=4 3543 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [1,1,0,0,0,0|1,0,1]=4 3544 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [1,1,0,0,0,0|1,0,1]=4 3545 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 3546 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 3547 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 3548 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 3549 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 3550 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 3551 B13R0.88 CCOC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100016267167 [1,1,0,0,0,0|1,0,0]=3 3552 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 34a_100000759926_100016267167 [1,1,0,0,0,0|1,0,1]=4 3553 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 7a_100000759926_100016267167 [1,1,0,0,0,0|1,0,1]=4 3554 B13R0.88 CCOC(=O)/C=C/COCCC(C)Br 34a_100009893172_100016267167 [1,1,0,0,0,0|1,0,0]=3 3555 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 34a_100000210254_100016267167 [1,1,0,0,0,0|1,0,0]=3 3556 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 7a_100000210254_100016267167 [1,1,0,0,0,0|1,0,0]=3 3557 B13R0.88 CCOC(=O)/C=C/COCCC(F)F 34a_100103093639_100016267167 [1,1,0,0,0,0|2,0,0]=4 3558 B13R0.88 CCOC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100016267167 [1,1,0,0,0,0|1,0,0]=3 3559 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100016267167 [1,1,0,0,0,0|1,0,1]=4 3560 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100016267167_100000053229 [1,1,0,0,0,0|1,0,1]=4 3561 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100000210312_100016267167 [1,1,0,0,0,0|1,0,0]=3 3562 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100016267167_100000210312 [1,1,0,0,0,0|1,0,0]=3 3563 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100012276601_100016267167 [1,1,0,0,0,0|1,0,0]=3 3564 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100016267167_100012276601 [1,1,0,0,0,0|1,0,0]=3 3565 B13R0.88 CCOC(=O)/C=C/CSCCN(C)C 62a_100016267167_100000755713 [1,1,0,0,0,0|2,0,0]=4 3566 B13R0.88 CCOC(=O)/C=C/CSCOC(C)C 62a_100000709892_100016267167 [1,1,0,0,0,0|2,0,0]=4 3567 B13R0.88 CCOC(=O)/C=C/CSCOC(C)C 62a_100016267167_100000709892 [1,1,0,0,0,0|2,0,0]=4 3568 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [1,1,0,0,0,0|0,0,2]=4 3569 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [1,1,0,0,0,0|0,0,2]=4 3570 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [1,1,0,0,0,0|0,0,2]=4 3571 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [1,1,0,0,0,0|1,0,1]=4 3572 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [1,1,0,0,0,0|1,0,1]=4 3573 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [1,1,0,0,0,0|1,0,1]=4 3574 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [1,1,0,0,0,0|1,0,1]=4 3575 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [1,1,0,0,0,0|1,0,1]=4 3576 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [1,1,0,0,0,0|1,0,1]=4 3577 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [1,1,0,0,0,0|1,0,1]=4 3578 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [1,1,0,0,0,0|1,0,1]=4 3579 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [1,1,0,0,0,0|1,0,1]=4 3580 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [1,1,0,0,0,0|1,0,1]=4 3581 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [1,1,0,0,0,0|1,0,1]=4 3582 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [1,1,0,0,0,0|1,0,1]=4 3583 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [1,1,0,0,0,0|1,0,1]=4 3584 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [1,1,0,0,0,0|1,0,1]=4 3585 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [1,1,0,0,0,0|1,0,1]=4 3586 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [1,1,0,0,0,0|1,0,1]=4 3587 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [1,1,0,0,0,0|1,0,1]=4 3588 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [1,1,0,0,0,0|1,0,1]=4 3589 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [1,1,0,0,0,0|1,0,1]=4 3590 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [1,1,0,0,0,0|1,0,1]=4 3591 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [1,1,0,0,0,0|1,0,1]=4 3592 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [1,1,0,0,0,0|1,0,1]=4 3593 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [1,1,0,0,0,0|1,0,1]=4 3594 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [1,1,0,0,0,0|1,0,1]=4 3595 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [1,1,0,0,0,0|1,0,1]=4 3596 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [1,1,0,0,0,0|1,0,1]=4 3597 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [1,1,0,0,0,0|1,0,1]=4 3598 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [1,1,0,0,0,0|1,0,1]=4 3599 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [1,1,0,0,0,0|1,0,1]=4 3600 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [1,1,0,0,0,0|1,0,1]=4 3601 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [1,1,0,0,0,0|1,0,1]=4 3602 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [1,1,0,0,0,0|1,0,1]=4 3603 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [1,1,0,0,0,0|1,0,1]=4 3604 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [1,1,0,0,0,0|1,0,1]=4 3605 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [1,1,0,0,0,0|1,0,1]=4 3606 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [1,1,0,0,0,0|1,0,1]=4 3607 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [1,1,0,0,0,0|1,0,1]=4 3608 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [1,1,0,0,0,0|1,0,1]=4 3609 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [1,1,0,0,0,0|1,0,1]=4 3610 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [1,1,0,0,0,0|1,0,1]=4 3611 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [1,1,0,0,0,0|1,0,1]=4 3612 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [1,1,0,0,0,0|1,0,1]=4 3613 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [1,1,0,0,0,0|1,0,1]=4 3614 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [1,1,0,0,0,0|1,0,1]=4 3615 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [1,1,0,0,0,0|1,0,1]=4 3616 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [1,1,0,0,0,0|1,0,1]=4 3617 B13R0.88 CCOC(=O)NCCOCCC(C)C 34a_100000158857_100000210312 [1,1,0,0,0,0|2,0,0]=4 3618 B13R0.88 CCOC(=O)NCCOCCC(C)C 7a_100000210254_200011445536 [1,1,0,0,0,0|2,0,0]=4 3619 B13R0.88 CCOC(=O)NCCOCCC(C)O 34a_100000158857_100012276601 [1,1,0,0,0,0|2,0,0]=4 3620 B13R0.88 CCOC(=O)NCCSCCC(C)C 62a_100000210312_200011445536 [1,1,0,0,0,0|2,0,0]=4 3621 B13R0.88 CCOC(=O)NCCSCCC(C)O 62a_100012276601_200011445536 [1,1,0,0,0,0|2,0,0]=4 3622 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [1,1,0,0,0,0|2,0,0]=4 3623 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [1,1,0,0,0,0|2,0,0]=4 3624 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [1,1,0,0,0,0|0,0,2]=4 3625 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [1,1,0,0,0,0|0,0,2]=4 3626 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [1,1,0,0,0,0|1,0,1]=4 3627 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [1,1,0,0,0,0|1,0,1]=4 3628 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [1,1,0,0,0,0|1,0,1]=4 3629 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [1,1,0,0,0,0|1,0,1]=4 3630 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [1,1,0,0,0,0|1,0,1]=4 3631 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [1,1,0,0,0,0|1,0,1]=4 3632 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [1,1,0,0,0,0|1,0,1]=4 3633 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [1,1,0,0,0,0|1,0,1]=4 3634 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [1,1,0,0,0,0|2,0,0]=4 3635 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 2230a_100000207549_100016267167 [1,1,0,0,0,0|1,0,0]=3 3636 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 269982a_100000207549_100016267167 [1,1,0,0,0,0|1,0,0]=3 3637 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [1,1,0,0,0,0|1,0,1]=4 3638 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [1,1,0,0,0,0|1,0,1]=4 3639 B13R0.175 CCCCN(C)CCNC(=O)OCC 269982a_100000207549_200011445536 [1,1,0,0,0,0|2,0,0]=4 3640 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [1,1,0,0,0,0|1,0,1]=4 3641 B13R0.175 CCOC(=O)/C=C/CN(C)CCCO 2230a_100000213112_100016267167 [1,1,0,0,0,0|2,0,0]=4 3642 B13R0.175 CCOC(=O)/C=C/CN(C)CCCO 269982a_100000213112_100016267167 [1,1,0,0,0,0|2,0,0]=4 3643 B13R0.175 CCOC(=O)/C=C/CN(C)CCOC 2230a_100000743101_100016267167 [1,1,0,0,0,0|2,0,0]=4 3644 B13R0.175 CCOC(=O)/C=C/CN(C)CCOC 269982a_100000743101_100016267167 [1,1,0,0,0,0|2,0,0]=4 3645 B13R0.175 CCOC(=O)/C=C/CN(C)CCSC 2230a_100000686725_100016267167 [1,1,0,0,0,0|2,0,0]=4 3646 B13R0.175 CCOC(=O)/C=C/CN(C)CCSC 269982a_100000686725_100016267167 [1,1,0,0,0,0|2,0,0]=4 3647 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [1,1,0,0,0,0|0,0,1]=3 3648 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [1,1,0,0,0,0|0,0,2]=4 3649 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [1,1,0,0,0,0|1,0,1]=4 3650 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [1,1,0,0,0,0|1,0,1]=4 3651 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [1,1,0,0,0,0|1,0,1]=4 3652 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [1,1,0,0,0,0|1,0,1]=4 3653 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [1,1,0,0,0,0|1,0,1]=4 3654 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [1,1,0,0,0,0|1,0,1]=4 3655 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [1,1,0,0,0,0|1,0,1]=4 3656 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [1,1,0,0,0,0|1,0,1]=4 3657 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [1,1,0,0,0,0|1,0,1]=4 3658 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [1,1,0,0,0,0|1,0,1]=4 3659 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [1,1,0,0,0,0|1,0,1]=4 3660 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [1,1,0,0,0,0|1,0,1]=4 3661 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [1,1,0,0,0,0|1,0,1]=4 3662 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [1,1,0,0,0,0|1,0,1]=4 3663 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 1626a_100000102301_100000210415 [1,1,0,0,0,0|1,0,1]=4 3664 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 240690a_100000102301_100000210415 [1,1,0,0,0,0|1,0,1]=4 3665 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [1,1,0,0,0,0|1,0,1]=4 3666 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [1,1,0,0,0,0|1,0,1]=4 3667 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [1,1,0,0,0,0|1,0,1]=4 3668 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [1,1,0,0,0,0|1,0,1]=4 3669 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [1,1,0,0,0,0|1,0,1]=4 3670 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [1,1,0,0,0,0|1,0,1]=4 3671 B13R0.193 CCOC(=O)C=CC(=O)CCCCF 1458a_100000210415_100000729493 [1,1,0,0,0,0|1,0,1]=4 3672 B13R0.193 CCOC(=O)C=CC(=O)CCCCO 1458a_100000210415_100000210776 [1,1,0,0,0,0|1,0,1]=4 3673 B13R0.193 CCOC(=O)C=CC(=O)CCCOC 1458a_100000210415_100000740836 [1,1,0,0,0,0|1,0,1]=4 3674 B13R0.193 CCOC(=O)C=CC(=O)CCSCC 1458a_100000210415_100000757381 [1,1,0,0,0,0|1,0,1]=4 3675 B13R0.193 CCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215890 [1,1,0,0,0,0|1,0,1]=4 3676 B13R0.275 C=C(CNCCCCO)C(=O)OCC 34a_100000750430_100000755967 [1,1,0,0,0,0|2,0,0]=4 3677 B13R0.275 C=C(CNCCCOC)C(=O)OCC 34a_100150723488_100000755967 [1,1,0,0,0,0|2,0,0]=4 3678 B13R0.275 C=C(CNCCOCC)C(=O)OCC 34a_102516460346_100000755967 [1,1,0,0,0,0|2,0,0]=4 3679 B13R0.275 C=C(COCCCCBr)C(=O)OCC 34a_100011216708_100000755967 [1,1,0,0,0,0|2,0,0]=4 3680 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [1,1,0,0,0,0|1,0,0]=3 3681 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [1,1,0,0,0,0|1,0,0]=3 3682 B13R0.275 C=C(COCCCCCl)C(=O)OCC 34a_100000210776_100000755967 [1,1,0,0,0,0|2,0,0]=4 3683 B13R0.275 C=C(COCCCCCl)C(=O)OCC 7a_100000210776_100000755967 [1,1,0,0,0,0|2,0,0]=4 3684 B13R0.275 C=C(COCCCCF)C(=O)OCC 34a_100011995726_100000755967 [1,1,0,0,0,0|2,0,0]=4 3685 B13R0.275 C=C(COCCCCF)C(=O)OCC 7a_100011995726_100000755967 [1,1,0,0,0,0|2,0,0]=4 3686 B13R0.275 C=C(COCCCCI)C(=O)OCC 34a_200012148704_100000755967 [1,1,0,0,0,0|2,0,0]=4 3687 B13R0.275 C=C(COCCCCN)C(=O)OCC 34a_100000750430_100000755967 [1,1,0,0,0,0|2,0,0]=4 3688 B13R0.275 C=C(COCCCNC)C(=O)OCC 34a_100000213112_100000755967 [1,1,0,0,0,0|2,0,0]=4 3689 B13R0.275 C=C(COCCCOC)C(=O)OCC 34a_100000740835_100000755967 [1,1,0,0,0,0|2,0,0]=4 3690 B13R0.275 C=C(COCCCSC)C(=O)OCC 34a_100000690336_100000755967 [1,1,0,0,0,0|2,0,0]=4 3691 B13R0.275 C=C(COCCCSC)C(=O)OCC 7a_100000690336_100000755967 [1,1,0,0,0,0|2,0,0]=4 3692 B13R0.275 C=C(COCCOCC)C(=O)OCC 34a_100000210136_100000755967 [1,1,0,0,0,0|2,0,0]=4 3693 B13R0.275 C=C(COCCOCC)C(=O)OCC 7a_100000210136_100000755967 [1,1,0,0,0,0|2,0,0]=4 3694 B13R0.275 C=C(COCCSCC)C(=O)OCC 34a_100000212035_100000755967 [1,1,0,0,0,0|2,0,0]=4 3695 B13R0.275 C=C(COCCSCC)C(=O)OCC 7a_100000212035_100000755967 [1,1,0,0,0,0|2,0,0]=4 3696 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [1,1,0,0,0,0|1,0,0]=3 3697 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [1,1,0,0,0,0|1,0,0]=3 3698 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000729493_100000755967 [1,1,0,0,0,0|2,0,0]=4 3699 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000755967_100000729493 [1,1,0,0,0,0|2,0,0]=4 3700 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000210776_100000755967 [1,1,0,0,0,0|2,0,0]=4 3701 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000755967_100000210776 [1,1,0,0,0,0|2,0,0]=4 3702 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000709357_100000755967 [1,1,0,0,0,0|2,0,0]=4 3703 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000755967_100000709357 [1,1,0,0,0,0|2,0,0]=4 3704 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000210147_100000755967 [1,1,0,0,0,0|2,0,0]=4 3705 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000755967_100011215890 [1,1,0,0,0,0|2,0,0]=4 3706 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000755967_100000757381 [1,1,0,0,0,0|2,0,0]=4 3707 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000757381_100000755967 [1,1,0,0,0,0|2,0,0]=4 3708 B13R0.275 CC/C=C(\C)/C(=O)CCCCCCC 1458a_100016988807_100000210614 [1,1,0,0,0,0|2,0,0]=4 3709 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [1,1,0,0,0,0|1,0,0]=3 3710 B13R0.275 CCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210614 [1,1,0,0,0,0|1,0,1]=4 3711 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [1,1,0,0,0,0|1,0,1]=4 3712 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 3713 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 3714 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 3715 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 3716 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [1,1,0,0,0,0|2,0,0]=4 3717 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [1,1,0,0,0,0|2,0,0]=4 3718 B13R0.275 CCCCCCNC(=O)C(=O)NCC 1626a_100000210581_200011297158 [1,1,0,0,0,0|2,0,0]=4 3719 B13R0.275 CCCCCCNC(=O)C(=O)NCC 240690a_100000210581_200011297158 [1,1,0,0,0,0|2,0,0]=4 3720 B13R0.275 CCCCCCNC(=O)C(=O)NCC 527a_100000210581_200011297158 [1,1,0,0,0,0|2,0,0]=4 3721 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [1,1,0,0,0,0|1,0,0]=3 3722 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [1,1,0,0,0,0|1,0,0]=3 3723 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [1,1,0,0,0,0|1,0,0]=3 3724 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [1,1,0,0,0,0|1,0,1]=4 3725 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [1,1,0,0,0,0|1,0,1]=4 3726 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [1,1,0,0,0,0|1,0,1]=4 3727 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [1,1,0,0,0,0|1,0,1]=4 3728 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [1,1,0,0,0,0|1,0,1]=4 3729 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [1,1,0,0,0,0|1,0,1]=4 3730 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [1,1,0,0,0,0|1,0,1]=4 3731 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [1,1,0,0,0,0|1,0,1]=4 3732 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [1,1,0,0,0,0|1,0,1]=4 3733 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [1,1,0,0,0,0|1,0,1]=4 3734 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [1,1,0,0,0,0|1,0,1]=4 3735 B13R0.275 CCCCCNN=C(C)C(=O)OCC 4a_100000694160_100000209952 [1,1,0,0,0,0|2,0,0]=4 3736 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [1,1,0,0,0,0|1,0,0]=3 3737 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [1,1,0,0,0,0|1,0,0]=3 3738 B13R0.275 CCCCOCCC(=O)C(=O)NCC 1458a_200011297158_100000743108 [1,1,0,0,0,0|2,0,0]=4 3739 B13R0.275 CCCOCCNC(=O)C(=O)OCC 1626a_100161115042_100014798877 [1,1,0,0,0,0|2,0,0]=4 3740 B13R0.275 CCCOCCNC(=O)C(=O)OCC 240690a_100161115042_100014798877 [1,1,0,0,0,0|2,0,0]=4 3741 B13R0.275 CCCSCCNC(=O)C(=O)OCC 11a_100020603323_100014798877 [1,1,0,0,0,0|2,0,0]=4 3742 B13R0.275 CCCSCCNC(=O)C(=O)OCC 240690a_100020603323_100014798877 [1,1,0,0,0,0|2,0,0]=4 3743 B13R0.275 CCNC(=O)C(=O)CCCCCCF 1458a_200011297158_100015922095 [1,1,0,0,0,0|2,0,0]=4 3744 B13R0.275 CCNC(=O)C(=O)CCCCCCO 1458a_200011297158_100000766143 [1,1,0,0,0,0|2,0,0]=4 3745 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [1,1,0,0,0,0|1,0,0]=3 3746 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [1,1,0,0,0,0|1,0,0]=3 3747 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [1,1,0,0,0,0|1,0,0]=3 3748 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000211299_100000729493 [1,1,0,0,0,0|2,0,0]=4 3749 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000729493_100000211299 [1,1,0,0,0,0|2,0,0]=4 3750 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000210776_100000211299 [1,1,0,0,0,0|2,0,0]=4 3751 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000211299_100000210776 [1,1,0,0,0,0|2,0,0]=4 3752 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000211299_100000709357 [1,1,0,0,0,0|2,0,0]=4 3753 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000709357_100000211299 [1,1,0,0,0,0|2,0,0]=4 3754 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000211299_100000757381 [1,1,0,0,0,0|2,0,0]=4 3755 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000757381_100000211299 [1,1,0,0,0,0|2,0,0]=4 3756 B13R0.275 CCOC(=O)C(=O)NCCCCCO 240690a_100000762737_100014798877 [1,1,0,0,0,0|2,0,0]=4 3757 B13R0.275 CCOCCCNC(=O)C(=O)OCC 11a_100000210961_100014798877 [1,1,0,0,0,0|2,0,0]=4 3758 B13R0.275 CCOCCCNC(=O)C(=O)OCC 1626a_100000210961_100014798877 [1,1,0,0,0,0|2,0,0]=4 3759 B13R0.275 CCOCCCNC(=O)C(=O)OCC 240690a_100000210961_100014798877 [1,1,0,0,0,0|2,0,0]=4 3760 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000210147_100000211299 [1,1,0,0,0,0|2,0,0]=4 3761 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000211299_100011215890 [1,1,0,0,0,0|2,0,0]=4 3762 B13R0.330 CCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210757 [1,1,0,0,0,0|2,0,0]=4 3763 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [1,1,0,0,0,0|1,0,1]=4 3764 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [1,1,0,0,0,0|1,0,1]=4 3765 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [1,1,0,0,0,0|0,0,1]=3 3766 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [1,1,0,0,0,0|0,0,1]=3 3767 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 3768 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 3769 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 3770 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 3771 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 3772 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 3773 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 3774 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 3775 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 3776 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 3777 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [1,1,0,0,0,0|1,0,1]=4 3778 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [1,1,0,0,0,0|1,0,1]=4 3779 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [1,1,0,0,0,0|1,0,1]=4 3780 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [1,1,0,0,0,0|1,0,1]=4 3781 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [1,1,0,0,0,0|1,0,1]=4 3782 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [1,1,0,0,0,0|1,0,1]=4 3783 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [1,1,0,0,0,0|1,0,1]=4 3784 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [1,1,0,0,0,0|1,0,1]=4 3785 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [1,1,0,0,0,0|1,0,1]=4 3786 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [1,1,0,0,0,0|2,0,0]=4 3787 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [1,1,0,0,0,0|2,0,0]=4 3788 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [1,1,0,0,0,0|1,0,0]=3 3789 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [1,1,0,0,0,0|1,0,0]=3 3790 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [1,1,0,0,0,0|2,0,0]=4 3791 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [1,1,0,0,0,0|1,0,1]=4 3792 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [1,1,0,0,0,0|1,0,0]=3 3793 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [1,1,0,0,0,0|1,0,0]=3 3794 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [1,1,0,0,0,0|1,0,1]=4 3795 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [1,1,0,0,0,0|1,0,1]=4 3796 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [1,1,0,0,0,0|2,0,0]=4 3797 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [1,1,0,0,0,0|1,0,1]=4 3798 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [1,1,0,0,0,0|1,0,1]=4 3799 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [1,1,0,0,0,0|1,0,0]=3 3800 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [1,1,0,0,0,0|1,0,0]=3 3801 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [1,1,0,0,0,0|1,0,1]=4 3802 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [1,1,0,0,0,0|1,0,1]=4 3803 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [1,1,0,0,0,0|1,0,1]=4 3804 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [1,1,0,0,0,0|2,0,0]=4 3805 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [1,1,0,0,0,0|1,0,1]=4 3806 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [1,1,0,0,0,0|1,0,1]=4 3807 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [1,1,0,0,0,0|1,0,1]=4 3808 B13R0.330 CCOC(=O)C=C(C)CNCCCF 2230a_100015189416_100135422193 [1,1,0,0,0,0|2,0,0]=4 3809 B13R0.330 CCOC(=O)C=C(C)CNCCCF 34a_100015189416_100135422193 [1,1,0,0,0,0|2,0,0]=4 3810 B13R0.330 CCOC(=O)C=C(C)CNCCOC 2230a_100000209980_100135422193 [1,1,0,0,0,0|2,0,0]=4 3811 B13R0.330 CCOC(=O)C=C(C)CNCCSC 2230a_100020590264_100135422193 [1,1,0,0,0,0|2,0,0]=4 3812 B13R0.330 CCOC(=O)C=C(C)COCCCBr 34a_100011217188_100135422193 [1,1,0,0,0,0|2,0,0]=4 3813 B13R0.330 CCOC(=O)C=C(C)COCCCCl 34a_100000230001_100135422193 [1,1,0,0,0,0|2,0,0]=4 3814 B13R0.330 CCOC(=O)C=C(C)COCCCF 34a_100000759539_100135422193 [1,1,0,0,0,0|2,0,0]=4 3815 B13R0.330 CCOC(=O)C=C(C)COCCCN 34a_100000182051_100135422193 [1,1,0,0,0,0|2,0,0]=4 3816 B13R0.330 CCOC(=O)C=C(C)COCCOC 34a_100000210237_100135422193 [1,1,0,0,0,0|2,0,0]=4 3817 B13R0.330 CCOC(=O)C=C(C)COCCSC 34a_100000230434_100135422193 [1,1,0,0,0,0|2,0,0]=4 3818 B13R0.330 CCOC(=O)C=C(C)COCCSC 7a_100000230434_100135422193 [1,1,0,0,0,0|2,0,0]=4 3819 B13R0.330 CCOC(=O)C=C(C)CSCCCF 62a_100011934791_100135422193 [1,1,0,0,0,0|2,0,0]=4 3820 B13R0.330 CCOC(=O)C=C(C)CSCCCF 62a_100135422193_100011934791 [1,1,0,0,0,0|2,0,0]=4 3821 B13R0.330 CCOC(=O)C=C(C)CSCCCO 62a_100011215043_100135422193 [1,1,0,0,0,0|2,0,0]=4 3822 B13R0.330 CCOC(=O)C=C(C)CSCCCO 62a_100135422193_100011215043 [1,1,0,0,0,0|2,0,0]=4 3823 B13R0.330 CCOC(=O)C=C(C)CSCCOC 62a_100000233755_100135422193 [1,1,0,0,0,0|2,0,0]=4 3824 B13R0.330 CCOC(=O)C=C(C)CSCCOC 62a_100135422193_100000233755 [1,1,0,0,0,0|2,0,0]=4 3825 B13R0.330 CCOC(=O)C=C(C)CSCCSC 62a_100000212216_100135422193 [1,1,0,0,0,0|2,0,0]=4 3826 B13R0.330 CCOC(=O)C=C(C)CSCCSC 62a_100135422193_100000751147 [1,1,0,0,0,0|2,0,0]=4 3827 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [1,1,0,0,0,0|1,0,1]=4 3828 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [1,1,0,0,0,0|1,0,1]=4 3829 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [1,1,0,0,0,0|1,0,1]=4 3830 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [1,1,0,0,0,0|1,0,1]=4 3831 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [1,1,0,0,0,0|1,0,1]=4 3832 B13R0.330 CCOCSCC(=CC(=O)OCC)C 62a_100000739092_100135422193 [1,1,0,0,0,0|2,0,0]=4 3833 B13R0.330 CCOCSCC(=CC(=O)OCC)C 62a_100135422193_100000739092 [1,1,0,0,0,0|2,0,0]=4 3834 B13R0.335 C=C(C)CC(=O)C=CCCCCCC 1458a_200015324643_100000748629 [1,1,0,0,0,0|1,0,1]=4 3835 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [1,1,0,0,0,0|1,0,0]=3 3836 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [1,1,0,0,0,0|1,0,0]=3 3837 B13R0.335 CCCCCCC=CC(=O)CC(F)F 1458a_200015324643_100011934356 [1,1,0,0,0,0|2,0,0]=4 3838 B13R0.335 CCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015324643 [1,1,0,0,0,0|1,0,0]=3 3839 B13R0.335 CCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015324643 [1,1,0,0,0,0|1,0,0]=3 3840 B13R0.335 CCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015324643 [1,1,0,0,0,0|1,0,0]=3 3841 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [1,1,0,0,0,0|1,0,1]=4 3842 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [1,1,0,0,0,0|1,0,1]=4 3843 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [1,1,0,0,0,0|1,0,1]=4 3844 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [1,1,0,0,0,0|1,0,1]=4 3845 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3846 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3847 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3848 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [1,1,0,0,0,0|1,0,1]=4 3849 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 3850 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 3851 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 3852 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 3853 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [1,1,0,0,0,0|2,0,0]=4 3854 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [1,1,0,0,0,0|2,0,0]=4 3855 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 3856 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 3857 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [1,1,0,0,0,0|2,0,0]=4 3858 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 3859 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [1,1,0,0,0,0|1,0,1]=4 3860 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [1,1,0,0,0,0|1,0,1]=4 3861 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [1,1,0,0,0,0|1,0,1]=4 3862 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [1,1,0,0,0,0|1,0,1]=4 3863 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [1,1,0,0,0,0|1,0,1]=4 3864 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [1,1,0,0,0,0|1,0,1]=4 3865 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [1,1,0,0,0,0|1,0,1]=4 3866 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [1,1,0,0,0,0|1,0,1]=4 3867 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [1,1,0,0,0,0|1,0,1]=4 3868 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [1,1,0,0,0,0|2,0,0]=4 3869 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [1,1,0,0,0,0|2,0,0]=4 3870 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [1,1,0,0,0,0|1,0,1]=4 3871 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [1,1,0,0,0,0|1,0,1]=4 3872 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [1,1,0,0,0,0|1,0,1]=4 3873 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [1,1,0,0,0,0|1,0,1]=4 3874 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [1,1,0,0,0,0|1,0,0]=3 3875 B13R0.340 CCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015324643 [1,1,0,0,0,0|1,0,0]=3 3876 B13R0.340 CCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015324643 [1,1,0,0,0,0|1,0,0]=3 3877 B13R0.340 CCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015324643 [1,1,0,0,0,0|1,0,0]=3 3878 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [1,1,0,0,0,0|1,0,1]=4 3879 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [1,1,0,0,0,0|1,0,1]=4 3880 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [1,1,0,0,0,0|1,0,1]=4 3881 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3882 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3883 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3884 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [1,1,0,0,0,0|1,0,1]=4 3885 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 3886 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 3887 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 3888 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 3889 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [1,1,0,0,0,0|2,0,0]=4 3890 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [1,1,0,0,0,0|2,0,0]=4 3891 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [1,1,0,0,0,0|2,0,0]=4 3892 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [1,1,0,0,0,0|0,0,2]=4 3893 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [1,1,0,0,0,0|0,0,2]=4 3894 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [1,1,0,0,0,0|1,0,1]=4 3895 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [1,1,0,0,0,0|1,0,1]=4 3896 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [1,1,0,0,0,0|1,0,1]=4 3897 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [1,1,0,0,0,0|1,0,1]=4 3898 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [1,1,0,0,0,0|1,0,1]=4 3899 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [1,1,0,0,0,0|1,0,1]=4 3900 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [1,1,0,0,0,0|2,0,0]=4 3901 B13R0.367 CCCC(C)NC/C=C/C(=O)OCC 2230a_100000741246_100016267167 [1,1,0,0,0,0|1,0,0]=3 3902 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [1,1,0,0,0,0|1,0,1]=4 3903 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 34a_100000764384_100016267167 [1,1,0,0,0,0|1,0,0]=3 3904 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 7a_100000764384_100016267167 [1,1,0,0,0,0|1,0,0]=3 3905 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [1,1,0,0,0,0|1,0,1]=4 3906 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [1,1,0,0,0,0|1,0,1]=4 3907 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [1,1,0,0,0,0|1,0,1]=4 3908 B13R0.367 CCCC(C)OCCNC(=O)OCC 34a_100000158857_100000766640 [1,1,0,0,0,0|2,0,0]=4 3909 B13R0.367 CCCC(C)OCCNC(=O)OCC 7a_100000764384_200011445536 [1,1,0,0,0,0|2,0,0]=4 3910 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100000766640_100016267167 [1,1,0,0,0,0|1,0,0]=3 3911 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_100000766640 [1,1,0,0,0,0|1,0,0]=3 3912 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [1,1,0,0,0,0|1,0,1]=4 3913 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [1,1,0,0,0,0|1,0,1]=4 3914 B13R0.367 CCCC(C)SCCNC(=O)OCC 62a_100000766640_200011445536 [1,1,0,0,0,0|2,0,0]=4 3915 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [1,1,0,0,0,0|1,0,1]=4 3916 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [1,1,0,0,0,0|1,0,1]=4 3917 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [1,1,0,0,0,0|1,0,1]=4 3918 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [1,1,0,0,0,0|1,0,1]=4 3919 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)CCO 2230a_100000706166_100016267167 [1,1,0,0,0,0|2,0,0]=4 3920 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)CCO 34a_100000706166_100016267167 [1,1,0,0,0,0|2,0,0]=4 3921 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)COC 2230a_100000764878_100016267167 [1,1,0,0,0,0|2,0,0]=4 3922 B13R0.367 CCOC(=O)/C=C/COC(C)CCBr 34a_100012276601_100016267167 [1,1,0,0,0,0|2,0,0]=4 3923 B13R0.367 CCOC(=O)/C=C/CO[C@H](C)COC 34a_100011934205_100016267167 [1,1,0,0,0,0|2,0,0]=4 3924 B13R0.367 CCOC(=O)/C=C/CSC(C)CCO 62a_100009893172_100016267167 [1,1,0,0,0,0|2,0,0]=4 3925 B13R0.367 CCOC(=O)/C=C/CSC(C)CCO 62a_100016267167_100009893172 [1,1,0,0,0,0|2,0,0]=4 3926 B13R0.367 CCOC(=O)/C=C/CSC(C)COC 62a_100000765312_100016267167 [1,1,0,0,0,0|2,0,0]=4 3927 B13R0.367 CCOC(=O)/C=C/CSC(C)COC 62a_100016267167_100000765312 [1,1,0,0,0,0|2,0,0]=4 3928 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [1,1,0,0,0,0|1,0,1]=4 3929 B13R0.336 CC/C=C/C/C=C/CCOCCCC 34a_200016273837_100000210210 [1,1,0,0,0,0|2,0,0]=4 3930 B13R0.336 CC/C=C/C/C=C/CCOCCCC 7a_200016273837_100000210211 [1,1,0,0,0,0|2,0,0]=4 3931 B13R0.336 CCC/C=C/C=C/COCCCCC 34a_100016294078_100000718602 [1,1,0,0,0,0|1,0,1]=4 3932 B13R0.336 CCC/C=C/COCCCCCCC 34a_100016278788_100000210614 [1,1,0,0,0,0|1,0,1]=4 3933 B13R0.336 CCC/C=C/COCCCCCCC 7a_100016278788_100000210614 [1,1,0,0,0,0|1,0,1]=4 3934 B13R0.336 CCCC/C=C/CCCCOCCC 34a_200020645093_100000210303 [1,1,0,0,0,0|1,0,1]=4 3935 B13R0.336 CCCC/C=C/CCCCOCCC 7a_200020645093_100000210303 [1,1,0,0,0,0|1,0,1]=4 3936 B13R0.336 CCCC/C=C/COCCCCCC 34a_200016272032_100000210314 [1,1,0,0,0,0|1,0,1]=4 3937 B13R0.336 CCCC/C=C/COCCCCCC 7a_200016272032_100000210314 [1,1,0,0,0,0|1,0,1]=4 3938 B13R0.336 CCCC/C=C\CCOCCCCC 34a_200016286491_100000718602 [1,1,0,0,0,0|1,0,1]=4 3939 B13R0.336 CCCC/C=C\CCOCCCCC 7a_200016286491_100000210326 [1,1,0,0,0,0|1,0,1]=4 3940 B13R0.336 CCCCCC/C=C/C=C/COCC 34a_200028454808_100000210202 [1,1,0,0,0,0|0,0,1]=3 3941 B13R0.336 CCCCCC/C=C/C=C/COCC 7a_200028454808_100000210202 [1,1,0,0,0,0|0,0,1]=3 3942 B13R0.336 CCCCCC/C=C/C=C/COCF 34a_200028454808_100015361967 [1,1,0,0,0,0|1,0,1]=4 3943 B13R0.336 CCCCCC/C=C/C=C/COCF 7a_200028454808_100015361967 [1,1,0,0,0,0|1,0,1]=4 3944 B13R0.336 CCCCCCC/C=C/C=C/COC 34a_200025756345_200000210301 [1,1,0,0,0,0|1,0,0]=3 3945 B13R0.336 CCCCCCC/C=C/C=C/COC 7a_200025756345_200000210301 [1,1,0,0,0,0|1,0,0]=3 3946 B13R0.336 CCCCCCC/C=C/C=C/CO[13CH3] 34a_200025756345_200025704644 [1,1,0,0,0,0|1,0,0]=3 3947 B13R0.336 CCCCCCC/C=C/C=C/CO[13CH3] 7a_200025756345_200025704644 [1,1,0,0,0,0|1,0,0]=3 3948 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [1,1,0,0,0,0|0,0,1]=3 3949 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [1,1,0,0,0,0|0,0,1]=3 3950 B13R0.336 CCCCCCCC/C=C/COCF 34a_200020667288_100015361967 [1,1,0,0,0,0|1,0,1]=4 3951 B13R0.336 CCCCCCCC/C=C/COCF 7a_200020667288_100015361967 [1,1,0,0,0,0|1,0,1]=4 3952 B13R0.336 CCCCCCCC=CC=NNCC 4a_100000756455_200016991098 [1,1,0,0,0,0|1,0,0]=3 3953 B13R0.338 C#CCCCCCC(=O)C=COCC 1458a_100016266692_100012094781 [1,1,0,0,0,0|0,0,2]=4 3954 B13R0.338 C/C=C/C=CC(=O)CCCCCCC 1458a_100000185730_100000210614 [1,1,0,0,0,0|1,0,1]=4 3955 B13R0.338 C=CCCCCCC(=O)C=COCC 1458a_100016266692_100000700193 [1,1,0,0,0,0|0,0,2]=4 3956 B13R0.338 CC/C=C/CC(=O)CCCCCCC 1458a_100016274230_100000210614 [1,1,0,0,0,0|1,0,1]=4 3957 B13R0.338 CC/C=C\CC(=O)CCCCCCC 1458a_100000211969_100103147603 [1,1,0,0,0,0|1,0,1]=4 3958 B13R0.338 CCCC=CC(=O)CCCCCCC 1458a_100000212230_100000210614 [1,1,0,0,0,0|1,0,0]=3 3959 B13R0.338 CCCC=CC(=O)CCCCCCF 1458a_100000212230_100015922095 [1,1,0,0,0,0|2,0,0]=4 3960 B13R0.338 CCCC=CC(=O)CCCCCCO 1458a_100000212230_100000766143 [1,1,0,0,0,0|2,0,0]=4 3961 B13R0.338 CCCC=CC(=O)CCOCCCC 1458a_100000212230_100000743108 [1,1,0,0,0,0|2,0,0]=4 3962 B13R0.338 CCCC=CC(=O)NCCCCCC 11a_100000210581_100000212230 [1,1,0,0,0,0|2,0,0]=4 3963 B13R0.338 CCCC=CC(=O)NCCCCCC 1626a_100000210581_100000212230 [1,1,0,0,0,0|2,0,0]=4 3964 B13R0.338 CCCC=CC(=O)NCCCCCC 240690a_100000210581_100000212230 [1,1,0,0,0,0|2,0,0]=4 3965 B13R0.338 CCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210614 [1,1,0,0,0,0|2,0,0]=4 3966 B13R0.338 CCCCCCCC(=O)C=COCC 1458a_100016266692_100000210614 [1,1,0,0,0,0|0,0,0]=2 3967 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [1,1,0,0,0,0|0,0,2]=4 3968 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [1,1,0,0,0,0|0,0,2]=4 3969 B13R0.338 CCCCCCCC(=O)OCOCC 34a_100121572206_100009852258 [1,1,0,0,0,0|1,0,1]=4 3970 B13R0.338 CCCCCCNC(=O)C=COCC 11a_100000210581_100016266692 [1,1,0,0,0,0|1,0,0]=3 3971 B13R0.338 CCCCCCNC(=O)C=COCC 1626a_100000210581_100016266692 [1,1,0,0,0,0|1,0,0]=3 3972 B13R0.338 CCCCCCNC(=O)C=COCC 240690a_100000210581_100016266692 [1,1,0,0,0,0|1,0,0]=3 3973 B13R0.338 CCCCCNNC(=O)C=COCC 22a_100000694160_100016266692 [1,1,0,0,0,0|2,0,0]=4 3974 B13R0.338 CCCCOCCC(=O)C=COCC 1458a_100016266692_100000743108 [1,1,0,0,0,0|1,0,0]=3 3975 B13R0.338 CCCOCCNC(=O)C=COCC 1626a_100161115042_100016266692 [1,1,0,0,0,0|2,0,0]=4 3976 B13R0.338 CCCOCCNC(=O)C=COCC 240690a_100161115042_100016266692 [1,1,0,0,0,0|2,0,0]=4 3977 B13R0.338 CCCSCCNC(=O)C=COCC 11a_100020603323_100016266692 [1,1,0,0,0,0|2,0,0]=4 3978 B13R0.338 CCCSCCNC(=O)C=COCC 240690a_100020603323_100016266692 [1,1,0,0,0,0|2,0,0]=4 3979 B13R0.338 CCOC=CC(=O)CCCCCC#N 1458a_100016266692_100009813376 [1,1,0,0,0,0|1,0,1]=4 3980 B13R0.338 CCOC=CC(=O)CCCCCCF 1458a_100016266692_100015922095 [1,1,0,0,0,0|1,0,0]=3 3981 B13R0.338 CCOC=CC(=O)CCCCCCO 1458a_100016266692_100000766143 [1,1,0,0,0,0|1,0,0]=3 3982 B13R0.338 CCOC=CC(=O)CCOCCOC 1458a_100016266692_100000695917 [1,1,0,0,0,0|2,0,0]=4 3983 B13R0.338 CCOC=CC(=O)NCCCCCO 240690a_100000762737_100016266692 [1,1,0,0,0,0|2,0,0]=4 3984 B13R0.338 CCOC=CC(=O)NCCCOCC 11a_100000210961_100016266692 [1,1,0,0,0,0|2,0,0]=4 3985 B13R0.338 CCOC=CC(=O)NCCCOCC 1626a_100000210961_100016266692 [1,1,0,0,0,0|2,0,0]=4 3986 B13R0.338 CCOC=CC(=O)NCCCOCC 240690a_100000210961_100016266692 [1,1,0,0,0,0|2,0,0]=4 3987 B13R0.113 CCCCC(C)NC/C=C/C(=O)OC 2230a_100000126638_100000742655 [1,1,0,0,0,0|1,0,0]=3 3988 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 34a_100000687866_100000742655 [1,1,0,0,0,0|1,0,0]=3 3989 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 7a_100000687866_100000742655 [1,1,0,0,0,0|1,0,0]=3 3990 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_100000742655_200011215066 [1,1,0,0,0,0|1,0,0]=3 3991 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_200011215066_100000742655 [1,1,0,0,0,0|1,0,0]=3 3992 B13R0.113 CCOCC(C)OC/C=C/C(=O)OC 34a_100000718985_100000742655 [1,1,0,0,0,0|2,0,0]=4 3993 B13R0.113 CCOCC(C)OC/C=C/C(=O)OC 7a_100000718985_100000742655 [1,1,0,0,0,0|2,0,0]=4 3994 B13R0.113 COC(=O)/C=C/COC(C)CCCCl 34a_200000718107_100000742655 [1,1,0,0,0,0|2,0,0]=4 3995 B13R0.113 COC(=O)/C=C/COC(C)CCCCl 7a_200000718107_100000742655 [1,1,0,0,0,0|2,0,0]=4 3996 B13R0.150 CCCCCC/C=C/CC(=O)C(C)C 1458a_100020681715_100000210206 [1,1,0,0,0,0|0,0,2]=4 3997 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [1,1,0,0,0,0|0,0,0]=2 3998 B13R0.150 CCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015332781 [1,1,0,0,0,0|1,0,0]=3 3999 B13R0.150 CCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015332781 [1,1,0,0,0,0|1,0,0]=3 4000 B13R0.150 CCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015332781 [1,1,0,0,0,0|1,0,0]=3 4001 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [1,1,0,0,0,0|0,0,2]=4 4002 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [1,1,0,0,0,0|0,0,2]=4 4003 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [1,1,0,0,0,0|0,0,2]=4 4004 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [1,1,0,0,0,0|0,0,2]=4 4005 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [1,1,0,0,0,0|0,0,2]=4 4006 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [1,1,0,0,0,0|1,0,1]=4 4007 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [1,1,0,0,0,0|1,0,1]=4 4008 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [1,1,0,0,0,0|1,0,1]=4 4009 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [1,1,0,0,0,0|1,0,1]=4 4010 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [1,1,0,0,0,0|1,0,1]=4 4011 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [1,1,0,0,0,0|1,0,1]=4 4012 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [1,1,0,0,0,0|1,0,1]=4 4013 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [1,1,0,0,0,0|1,0,1]=4 4014 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [1,1,0,0,0,0|1,0,1]=4 4015 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [1,1,0,0,0,0|1,0,1]=4 4016 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [1,1,0,0,0,0|1,0,1]=4 4017 B13R0.150 CCCCCCCNCC(=O)C(C)C 2230a_100000229938_100000753385 [1,1,0,0,0,0|1,0,1]=4 4018 B13R0.150 CCCCCCCOCC(=O)C(C)C 34a_100000210272_100000753385 [1,1,0,0,0,0|1,0,1]=4 4019 B13R0.150 CCCCCCCOCC(=O)C(C)C 7a_100000210272_100000753385 [1,1,0,0,0,0|1,0,1]=4 4020 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000210614_100000753385 [1,1,0,0,0,0|1,0,1]=4 4021 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210316 [1,1,0,0,0,0|1,0,1]=4 4022 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 2230a_100000223495_100000742655 [1,1,0,0,0,0|1,0,0]=3 4023 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 269982a_100000223495_100000742655 [1,1,0,0,0,0|1,0,0]=3 4024 B13R0.194 COC(=O)/C=C/CN(C)CCCCO 2230a_100000717598_100000742655 [1,1,0,0,0,0|2,0,0]=4 4025 B13R0.194 COC(=O)/C=C/CN(C)CCCCO 269982a_100000717598_100000742655 [1,1,0,0,0,0|2,0,0]=4 4026 B13R0.194 COCCCN(C)C/C=C/C(=O)OC 2230a_100000224831_100000742655 [1,1,0,0,0,0|2,0,0]=4 4027 B13R0.194 COCCCN(C)C/C=C/C(=O)OC 269982a_100000224831_100000742655 [1,1,0,0,0,0|2,0,0]=4 4028 B13R0.201 CCC(C)CCNC/C=C/C(=O)OC 2230a_100020591266_100000742655 [1,1,0,0,0,0|1,0,0]=3 4029 B13R0.201 CCC(C)CCOC/C=C/C(=O)OC 7a_100011215188_100000742655 [1,1,0,0,0,0|1,0,0]=3 4030 B13R0.201 COC(=O)/C=C/CNCCC(C)CO 2230a_106354213184_100000742655 [1,1,0,0,0,0|2,0,0]=4 4031 B13R0.201 COC(=O)/C=C/CNCCC(C)CO 34a_106354213184_100000742655 [1,1,0,0,0,0|2,0,0]=4 4032 B13R0.201 COC(=O)/C=C/COCCC(C)OC 7a_100000764861_100000742655 [1,1,0,0,0,0|2,0,0]=4 4033 B13R0.202 CCC(=O)COCCCCCC(C)C 34a_100000725409_100000210682 [1,1,0,0,0,0|1,0,1]=4 4034 B13R0.202 CCC(=O)COCCCCCC(C)C 7a_100011995859_100000747405 [1,1,0,0,0,0|1,0,1]=4 4035 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747405 [1,1,0,0,0,0|1,0,1]=4 4036 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000747405_100000210682 [1,1,0,0,0,0|1,0,1]=4 4037 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [1,1,0,0,0,0|1,0,1]=4 4038 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [1,1,0,0,0,0|1,0,1]=4 4039 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [1,1,0,0,0,0|1,0,1]=4 4040 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [1,1,0,0,0,0|1,0,1]=4 4041 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100000742655 [1,1,0,0,0,0|1,0,0]=3 4042 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100000742655 [1,1,0,0,0,0|1,0,0]=3 4043 B13R0.202 COC(=O)/C=C/CNCCCS(=O)C 2230a_200000753449_100000742655 [1,1,0,0,0,0|2,0,0]=4 4044 B13R0.202 COC(=O)/C=C/CNCCOC(C)C 2230a_100000701111_100000742655 [1,1,0,0,0,0|2,0,0]=4 4045 B13R0.202 COC(=O)/C=C/CNCCOC(C)C 34a_100000701111_100000742655 [1,1,0,0,0,0|2,0,0]=4 4046 B13R0.202 COC(=O)/C=C/CNCCSC(C)C 2230a_100000731138_100000742655 [1,1,0,0,0,0|2,0,0]=4 4047 B13R0.202 COC(=O)/C=C/CNCCSC(C)C 34a_100000731138_100000742655 [1,1,0,0,0,0|2,0,0]=4 4048 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 34a_100000759063_100000742655 [1,1,0,0,0,0|1,0,1]=4 4049 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 7a_100000759063_100000742655 [1,1,0,0,0,0|1,0,1]=4 4050 B13R0.202 COC(=O)/C=C/COCCCC(C)C 34a_100000210774_100000742655 [1,1,0,0,0,0|1,0,0]=3 4051 B13R0.202 COC(=O)/C=C/COCCCC(C)C 7a_100000210774_100000742655 [1,1,0,0,0,0|1,0,0]=3 4052 B13R0.202 COC(=O)/C=C/COCCNC(C)C 34a_100000224655_100000742655 [1,1,0,0,0,0|2,0,0]=4 4053 B13R0.202 COC(=O)/C=C/COCCOC(C)C 34a_100000211219_100000742655 [1,1,0,0,0,0|2,0,0]=4 4054 B13R0.202 COC(=O)/C=C/COCCOC(C)C 7a_100000211219_100000742655 [1,1,0,0,0,0|2,0,0]=4 4055 B13R0.202 COC(=O)/C=C/COCCSC(C)C 34a_200011212901_100000742655 [1,1,0,0,0,0|2,0,0]=4 4056 B13R0.202 COC(=O)/C=C/COCCSC(C)C 7a_200011212901_100000742655 [1,1,0,0,0,0|2,0,0]=4 4057 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100000742655_100011215641 [1,1,0,0,0,0|1,0,1]=4 4058 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100011215641_100000742655 [1,1,0,0,0,0|1,0,1]=4 4059 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100000742655_100011214892 [1,1,0,0,0,0|1,0,0]=3 4060 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100000742655 [1,1,0,0,0,0|1,0,0]=3 4061 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_100000742655_200000718107 [1,1,0,0,0,0|1,0,0]=3 4062 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100000742655 [1,1,0,0,0,0|1,0,0]=3 4063 B13R0.202 COC(=O)/C=C/CSCCCN(C)C 62a_100000742655_100000757444 [1,1,0,0,0,0|2,0,0]=4 4064 B13R0.202 COC(=O)/C=C/CSCCOC(C)C 62a_100000211751_100000742655 [1,1,0,0,0,0|2,0,0]=4 4065 B13R0.202 COC(=O)/C=C/CSCCOC(C)C 62a_100000742655_100000211751 [1,1,0,0,0,0|2,0,0]=4 4066 B13R0.202 COC(=O)/C=C/CSCCSC(C)C 62a_100000730970_100000742655 [1,1,0,0,0,0|2,0,0]=4 4067 B13R0.202 COC(=O)/C=C/CSCCSC(C)C 62a_100000742655_100000730970 [1,1,0,0,0,0|2,0,0]=4 4068 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [1,1,0,0,0,0|1,0,1]=4 4069 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [1,1,0,0,0,0|1,0,1]=4 4070 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [1,1,0,0,0,0|1,0,1]=4 4071 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [1,1,0,0,0,0|1,0,1]=4 4072 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [1,1,0,0,0,0|1,0,1]=4 4073 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [1,1,0,0,0,0|1,0,1]=4 4074 B13R0.274 CCC(=CC(=O)CCCCCCF)C 1458a_100020758463_100015922095 [1,1,0,0,0,0|2,0,0]=4 4075 B13R0.274 CCC(=CC(=O)CCCCCCO)C 1458a_100020758463_100000766143 [1,1,0,0,0,0|2,0,0]=4 4076 B13R0.274 CCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747405 [1,1,0,0,0,0|1,0,1]=4 4077 B13R0.274 CCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747405 [1,1,0,0,0,0|1,0,1]=4 4078 B13R0.274 CCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210614 [1,1,0,0,0,0|1,0,0]=3 4079 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [1,1,0,0,0,0|0,0,1]=3 4080 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [1,1,0,0,0,0|1,0,1]=4 4081 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [1,1,0,0,0,0|0,0,1]=3 4082 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [1,1,0,0,0,0|0,0,1]=3 4083 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [1,1,0,0,0,0|0,0,2]=4 4084 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [1,1,0,0,0,0|1,0,1]=4 4085 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [1,1,0,0,0,0|1,0,1]=4 4086 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [1,1,0,0,0,0|1,0,1]=4 4087 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [1,1,0,0,0,0|1,0,1]=4 4088 B13R0.274 CCCCCCNC(=O)C=C(C)CC 11a_100000210581_100020758463 [1,1,0,0,0,0|2,0,0]=4 4089 B13R0.274 CCCCCCNC(=O)C=C(C)CC 1626a_100000210581_100020758463 [1,1,0,0,0,0|2,0,0]=4 4090 B13R0.274 CCCCCCNC(=O)C=C(C)CC 240690a_100000210581_100020758463 [1,1,0,0,0,0|2,0,0]=4 4091 B13R0.274 CCCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230325 [1,1,0,0,0,0|1,0,1]=4 4092 B13R0.274 CCCCCCNC(=O)CC(=O)OC 240690a_100000210581_100000211351 [1,1,0,0,0,0|1,0,1]=4 4093 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210326_100000210525 [1,1,0,0,0,0|1,0,1]=4 4094 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210326 [1,1,0,0,0,0|1,0,1]=4 4095 B13R0.274 CCCCCSCC(=O)NC(=O)OC 62a_100000210326_100000010850 [1,1,0,0,0,0|2,0,0]=4 4096 B13R0.274 CCCCOCCC(=O)C=C(C)CC 1458a_100020758463_100000743108 [1,1,0,0,0,0|2,0,0]=4 4097 B13R0.274 CCCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000743108 [1,1,0,0,0,0|1,0,1]=4 4098 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [1,1,0,0,0,0|1,0,1]=4 4099 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [1,1,0,0,0,0|1,0,1]=4 4100 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [1,1,0,0,0,0|1,0,1]=4 4101 B13R0.274 COCCCCCC(=O)CC(=O)OC 1458a_100011935119_100000747449 [1,1,0,0,0,0|1,0,1]=4 4102 B13R0.1170 CCCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210757 [1,1,0,0,0,0|1,0,1]=4 4103 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [1,1,0,0,0,0|1,0,1]=4 4104 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [1,1,0,0,0,0|1,0,1]=4 4105 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [1,1,0,0,0,0|1,0,1]=4 4106 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [1,1,0,0,0,0|1,0,1]=4 4107 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [1,1,0,0,0,0|1,0,1]=4 4108 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [1,1,0,0,0,0|1,0,1]=4 4109 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [1,1,0,0,0,0|1,0,1]=4 4110 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [1,1,0,0,0,0|1,0,1]=4 4111 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [1,1,0,0,0,0|1,0,1]=4 4112 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [1,1,0,0,0,0|1,0,1]=4 4113 B13R0.1170 CCCCCNC(=O)C=CC(=O)OC 1626a_100000209983_100016283253 [1,1,0,0,0,0|1,0,1]=4 4114 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210211 [0,2,0,0,0,0|0,0,2]=4 4115 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000210183_100000755133 [0,2,0,0,0,0|0,0,2]=4 4116 B15R0.1 CCCCC(=O)CCCOCC(=O)OCC 1458a_100000210183_100009893628 [0,2,0,0,0,0|1,0,1]=4 4117 B15R0.1 CCCCC(C)COC/C=C/C(=O)OCC 34a_100011995851_100016267167 [0,2,0,0,0,0|0,0,0]=2 4118 B15R0.1 CCCCC(C)COC/C=C/C(=O)OCC 7a_100011995851_100016267167 [0,2,0,0,0,0|0,0,0]=2 4119 B15R0.1 CCCCC(C)COCCCC(=O)OCC 34a_100011995851_100009991533 [0,2,0,0,0,0|0,0,2]=4 4120 B15R0.1 CCCCC(C)COCCCC(=O)OCC 7a_100011995851_100011215271 [0,2,0,0,0,0|0,0,2]=4 4121 B15R0.1 CCCCC(C)COCCNC(=O)OCC 7a_100011995851_200011445536 [0,2,0,0,0,0|1,0,1]=4 4122 B15R0.1 CCCCC(C)NCCCCC(=O)OCC 2230a_100000126638_100000750268 [0,2,0,0,0,0|0,0,2]=4 4123 B15R0.1 CCCCC(C)NCCOCC(=O)OCC 2230a_100000126638_100000088970 [0,2,0,0,0,0|1,0,1]=4 4124 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 34a_100000687866_100000750268 [0,2,0,0,0,0|0,0,2]=4 4125 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 7a_100000687866_100000750268 [0,2,0,0,0,0|0,0,2]=4 4126 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 34a_100000687866_100000088970 [0,2,0,0,0,0|1,0,1]=4 4127 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 7a_100000687866_100000088970 [0,2,0,0,0,0|1,0,1]=4 4128 B15R0.1 CCCCC(C)OCCSCC(=O)OCC 7a_200000230590_200011215066 [0,2,0,0,0,0|1,0,1]=4 4129 B15R0.1 CCCCC(C)SCC=NNC(=O)OCC 62a_200011215066_100015372823 [0,2,0,0,0,0|2,0,0]=4 4130 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_100000750268_200011215066 [0,2,0,0,0,0|0,0,2]=4 4131 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_200011215066_100000750268 [0,2,0,0,0,0|0,0,2]=4 4132 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_100000088970_200011215066 [0,2,0,0,0,0|1,0,1]=4 4133 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_200011215066_100000088970 [0,2,0,0,0,0|1,0,1]=4 4134 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 2230a_100000207549_100000755133 [0,2,0,0,0,0|0,0,2]=4 4135 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 269982a_100000207549_100000755133 [0,2,0,0,0,0|0,0,2]=4 4136 B15R0.1 CCCCN(C)CCCOCC(=O)OCC 2230a_100000207549_100009893628 [0,2,0,0,0,0|1,0,1]=4 4137 B15R0.1 CCCCN(C)CCCOCC(=O)OCC 269982a_100000207549_100009893628 [0,2,0,0,0,0|1,0,1]=4 4138 B15R0.1 CCCC[C@H](N)COC/C=C/C(=O)OCC 34a_100011934283_100016267167 [0,2,0,0,0,0|0,0,0]=2 4139 B15R0.1 CCCC[C@H](N)COCCCC(=O)OCC 34a_100011934283_100009991533 [0,2,0,0,0,0|0,0,2]=4 4140 B15R0.1 CCCNC(=O)CNC/C=C/C(=O)OCC 2230a_100000174927_100016267167 [0,2,0,0,0,0|1,0,1]=4 4141 B15R0.1 CCCNC(=O)CSC/C=C/C(=O)OCC 62a_100000183358_100016267167 [0,2,0,0,0,0|1,0,1]=4 4142 B15R0.1 CCCNC(=O)CSC/C=C/C(=O)OCC 62a_100016267167_100000183358 [0,2,0,0,0,0|1,0,1]=4 4143 B15R0.1 CCCOC(=O)COCCCC(C)CCC 34a_100011713154_200011215008 [0,2,0,0,0,0|1,0,1]=4 4144 B15R0.1 CCCOC(=O)COCCCC(C)CCC 7a_100011713154_200011215008 [0,2,0,0,0,0|1,0,1]=4 4145 B15R0.1 CCCOC(=O)CSC/C=C/C(=O)OCC 62a_100016267167_200011215008 [0,2,0,0,0,0|1,0,1]=4 4146 B15R0.1 CCCOC(=O)CSC/C=C/C(=O)OCC 62a_200011215008_100016267167 [0,2,0,0,0,0|1,0,1]=4 4147 B15R0.1 CCCOC(C)CNC/C=C/C(=O)OCC 2230a_100015185124_100016267167 [0,2,0,0,0,0|1,0,0]=3 4148 B15R0.1 CCCOC(C)CNC/C=C/C(=O)OCC 34a_100015185124_100016267167 [0,2,0,0,0,0|1,0,0]=3 4149 B15R0.1 CCOC(=O)/C=C/CNC[C@H](C)CCCO 2230a_100160569302_100016267167 [0,2,0,0,0,0|1,0,0]=3 4150 B15R0.1 CCOC(=O)/C=C/CNC[C@H](C)CCCO 34a_100160569302_100016267167 [0,2,0,0,0,0|1,0,0]=3 4151 B15R0.1 CCOC(=O)/C=C/COC[C@@H](C)OCOC 34a_100016172286_100016267167 [0,2,0,0,0,0|2,0,0]=4 4152 B15R0.1 CCOC(=O)/C=C/COC[C@@H](C)OCOC 7a_100016172286_100016267167 [0,2,0,0,0,0|2,0,0]=4 4153 B15R0.1 CCOC(=O)/C=C/COC[C@@H](N)CCSC 34a_100011827619_100016267167 [0,2,0,0,0,0|1,0,0]=3 4154 B15R0.1 CCOCC(O)CNC/C=C/C(=O)OCC 2230a_102515437182_100016267167 [0,2,0,0,0,0|1,0,0]=3 4155 B15R0.1 CCOCC(O)CNC/C=C/C(=O)OCC 34a_102515437182_100016267167 [0,2,0,0,0,0|1,0,0]=3 4156 B15R0.35 CCOC(=O)/C=C/COCC(C)N(C)CC 7a_100000732741_100016267167 [0,2,0,0,0,0|2,0,0]=4 4157 B15R0.115 CCCC(C)CCCOCC(=O)OC(C)C 34a_100011713154_100011215430 [0,2,0,0,0,0|1,0,1]=4 4158 B15R0.115 CCCC(C)CCCOCC(=O)OC(C)C 7a_100011713154_100011215430 [0,2,0,0,0,0|1,0,1]=4 4159 B15R0.115 CCOC(=O)/C=C/COC[C@@H](N)CC(C)C 34a_100011830311_100016267167 [0,2,0,0,0,0|1,0,0]=3 4160 B15R0.115 CCOC(=O)/C=C/CSCC(C)CN(C)C 62a_100015348159_100016267167 [0,2,0,0,0,0|2,0,0]=4 4161 B15R0.115 CCOC(=O)/C=C/CSCC(C)CN(C)C 62a_100016267167_100015348159 [0,2,0,0,0,0|2,0,0]=4 4162 B15R0.410 CCCC(=O)CSCC(=CC(=O)OCC)C 62a_100000747444_100135422193 [0,2,0,0,0,0|1,0,1]=4 4163 B15R0.410 CCCC(=O)CSCC(=CC(=O)OCC)C 62a_100135422193_100000747444 [0,2,0,0,0,0|1,0,1]=4 4164 B15R0.410 CCCC(C)COCC(=CC(=O)OCC)C 34a_100000688023_100135422193 [0,2,0,0,0,0|1,0,0]=3 4165 B15R0.410 CCCC(C)COCC(=CC(=O)OCC)C 7a_100000688023_100135422193 [0,2,0,0,0,0|1,0,0]=3 4166 B15R0.410 CCCC(C)COCC(=O)NC(=O)OCC 7a_100000688023_100000010344 [0,2,0,0,0,0|2,0,0]=4 4167 B15R0.410 CCCC(C)CSCC(=CC(=O)OCC)C 62a_100011216630_100135422193 [0,2,0,0,0,0|1,0,0]=3 4168 B15R0.410 CCCC(C)CSCC(=CC(=O)OCC)C 62a_100135422193_100011216630 [0,2,0,0,0,0|1,0,0]=3 4169 B15R0.410 CCCC(C)CSCC(=O)CC(=O)OCC 62a_100000210311_100011216630 [0,2,0,0,0,0|1,0,1]=4 4170 B15R0.410 CCCC(C)CSCC(=O)CC(=O)OCC 62a_100011216630_100000210311 [0,2,0,0,0,0|1,0,1]=4 4171 B15R0.410 CCCC(C)CSCC(=O)NC(=O)OCC 62a_100011216630_100000010344 [0,2,0,0,0,0|2,0,0]=4 4172 B15R0.410 CCC[C@H](N)COCC(=CC(=O)OCC)C 34a_100000732646_100135422193 [0,2,0,0,0,0|1,0,0]=3 4173 B15R0.410 CCOC(=O)/C=C/CN(C)CC(O)COC 2230a_100000739405_100016267167 [0,2,0,0,0,0|2,0,0]=4 4174 B15R0.410 CCOC(=O)/C=C/CN(C)CC(O)COC 269982a_100000739405_100016267167 [0,2,0,0,0,0|2,0,0]=4 4175 B15R0.410 CCOC(=O)C=C(C)CNCC(O)COC 2230a_100000756049_100135422193 [0,2,0,0,0,0|2,0,0]=4 4176 B15R0.410 CCOC(=O)C=C(C)CNCC(O)COC 34a_100000756049_100135422193 [0,2,0,0,0,0|2,0,0]=4 4177 B15R0.410 CCOC(=O)C=C(C)COCC(C)CCN 34a_106354213184_100135422193 [0,2,0,0,0,0|2,0,0]=4 4178 B15R0.410 CCOC(=O)C=C(C)COCC(N)COC 34a_100000724102_100135422193 [0,2,0,0,0,0|2,0,0]=4 4179 B15R0.410 CCOC(=O)C=C(C)CSCC(O)COC 62a_100011215053_100135422193 [0,2,0,0,0,0|2,0,0]=4 4180 B15R0.410 CCOC(=O)C=C(C)CSCC(O)COC 62a_100135422193_100011215053 [0,2,0,0,0,0|2,0,0]=4 4181 B15R0.1734 C=C(COCCC(C)CCC)C(=O)OCC 34a_100011217855_100000755967 [0,2,0,0,0,0|1,0,1]=4 4182 B15R0.1734 C=C(COCCC(C)CCC)C(=O)OCC 7a_100011217855_100000755967 [0,2,0,0,0,0|1,0,1]=4 4183 B15R0.1734 C=C(COCC[C@@H](N)CCC)C(=O)OCC 34a_100015193777_100000755967 [0,2,0,0,0,0|1,0,1]=4 4184 B15R0.1734 CCCC(C)C(C)OC/C=C/C(=O)OCC 34a_100000708338_100016267167 [0,2,0,0,0,0|1,0,0]=3 4185 B15R0.1734 CCCC(C)C(C)OC/C=C/C(=O)OCC 7a_100000708338_100016267167 [0,2,0,0,0,0|1,0,0]=3 4186 B15R0.1734 CCCC(C)CCCOC(C)C(=O)OCC 34a_100011713154_100011216346 [0,2,0,0,0,0|1,0,1]=4 4187 B15R0.1734 CCCC(C)CCCOC(C)C(=O)OCC 7a_100011713154_100011216346 [0,2,0,0,0,0|1,0,1]=4 4188 B15R0.1734 CCCC(C)CCCOC(F)C(=O)OCC 34a_100011713154_100000760018 [0,2,0,0,0,0|1,0,1]=4 4189 B15R0.1734 CCCC(C)CCCOC(F)C(=O)OCC 7a_100011713154_100000040065 [0,2,0,0,0,0|1,0,1]=4 4190 B15R0.1739 CCOC(=O)/C=C/CNCC(CC)OCC 2230a_100015183923_100016267167 [0,2,0,0,0,0|2,0,0]=4 4191 B15R0.1739 CCOC(=O)/C=C/CNCC(CC)OCC 34a_100015183923_100016267167 [0,2,0,0,0,0|2,0,0]=4 4192 B15R0.3665 CCCC(C)(C)COC/C=C/C(=O)OCC 7a_100011995695_100016267167 [0,2,0,0,0,0|1,0,0]=3 4193 B15R0.3665 CCNC(C)(C)COC/C=C/C(=O)OCC 7a_100000747347_100016267167 [0,2,0,0,0,0|2,0,0]=4 4194 B15R0.3665 CCOC(=O)/C=C/CNCC(C)(C)COC 2230a_100000734190_100016267167 [0,2,0,0,0,0|2,0,0]=4 4195 B15R0.309 C=C(COCCCC(C)CC)C(=O)OCC 7a_100011216074_100000755967 [0,2,0,0,0,0|1,0,1]=4 4196 B15R0.309 CCOC(=O)C(=O)CCCCCC(=O)CC 1458a_100000210414_100000068741 [0,2,0,0,0,0|0,0,2]=4 4197 B15R0.309 CCOC(=O)C(=O)CCCCCN(C)CC 2230a_100000225621_100000068741 [0,2,0,0,0,0|1,0,1]=4 4198 B15R0.309 CCOC(=O)C(=O)CCCCCN(C)CC 269982a_100000225621_100000068741 [0,2,0,0,0,0|1,0,1]=4 4199 B15R0.386 CCOC(=O)/C=C/COCCC(N)C(C)C 34a_100161115045_100016267167 [0,2,0,0,0,0|1,0,0]=3 4200 B15R0.395 CCOC(=O)C=C(C)CNCCC(C)CC 2230a_100020591266_100135422193 [0,2,0,0,0,0|1,0,0]=3 4201 B15R0.395 CCOC(=O)C=C(C)CNCCC(C)CO 2230a_106354213184_100135422193 [0,2,0,0,0,0|2,0,0]=4 4202 B15R0.395 CCOC(=O)C=C(C)CNCCC(C)CO 34a_106354213184_100135422193 [0,2,0,0,0,0|2,0,0]=4 4203 B15R0.395 CCOC(=O)C=C(C)COCCC(C)CC 7a_100011215188_100135422193 [0,2,0,0,0,0|1,0,0]=3 4204 B15R0.395 CCOC(=O)C=C(C)COCCC(C)OC 7a_100000764861_100135422193 [0,2,0,0,0,0|2,0,0]=4 4205 B15R0.395 CCOC(=O)NC(=O)COCCC(C)CC 7a_100011215188_100000010344 [0,2,0,0,0,0|2,0,0]=4 4206 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210303 [0,2,0,0,0,0|0,0,2]=4 4207 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000211992_100009814379 [0,2,0,0,0,0|0,0,2]=4 4208 B15R0.408 CCCC(=O)OCSC/C=C/C(=O)OCC 62a_100016267167_100000034017 [0,2,0,0,0,0|1,0,1]=4 4209 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 34a_100011713154_100000765890 [0,2,0,0,0,0|0,0,2]=4 4210 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 7a_100011713154_100011206558 [0,2,0,0,0,0|0,0,2]=4 4211 B15R0.408 CCCC(C)CCOC/C=C/C(=O)OCC 34a_100011217855_100016267167 [0,2,0,0,0,0|0,0,0]=2 4212 B15R0.408 CCCC(C)CCOC/C=C/C(=O)OCC 7a_100011217855_100016267167 [0,2,0,0,0,0|0,0,0]=2 4213 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 34a_100011217855_100009991533 [0,2,0,0,0,0|0,0,2]=4 4214 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 7a_100011217855_100011215271 [0,2,0,0,0,0|0,0,2]=4 4215 B15R0.408 CCCC(C)CCOCCNC(=O)OCC 7a_100011217855_200011445536 [0,2,0,0,0,0|1,0,1]=4 4216 B15R0.408 CCCC(C)COCCCCC(=O)OCC 34a_100000688023_100000750268 [0,2,0,0,0,0|0,0,2]=4 4217 B15R0.408 CCCC(C)COCCCCC(=O)OCC 7a_100000688023_100000750268 [0,2,0,0,0,0|0,0,2]=4 4218 B15R0.408 CCCC(C)COCCOCC(=O)OCC 34a_100000688023_100000088970 [0,2,0,0,0,0|1,0,1]=4 4219 B15R0.408 CCCC(C)COCCOCC(=O)OCC 7a_100000688023_100000088970 [0,2,0,0,0,0|1,0,1]=4 4220 B15R0.408 CCCC(C)COCCSCC(=O)OCC 7a_200000230590_100011216630 [0,2,0,0,0,0|1,0,1]=4 4221 B15R0.408 CCCC(C)CSCC=NNC(=O)OCC 62a_100011216630_100015372823 [0,2,0,0,0,0|2,0,0]=4 4222 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100000750268_100011216630 [0,2,0,0,0,0|0,0,2]=4 4223 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100011216630_100000750268 [0,2,0,0,0,0|0,0,2]=4 4224 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100000088970_100011216630 [0,2,0,0,0,0|1,0,1]=4 4225 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100011216630_100000088970 [0,2,0,0,0,0|1,0,1]=4 4226 B15R0.408 CCCC(C)NCCCCCC(=O)OCC 2230a_100000741246_100000755133 [0,2,0,0,0,0|0,0,2]=4 4227 B15R0.408 CCCC(C)NCCCOCC(=O)OCC 2230a_100000741246_100009893628 [0,2,0,0,0,0|1,0,1]=4 4228 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 34a_100000764384_100000755133 [0,2,0,0,0,0|0,0,2]=4 4229 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100000764384_100000755133 [0,2,0,0,0,0|0,0,2]=4 4230 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100011214988_100000766640 [0,2,0,0,0,0|0,0,2]=4 4231 B15R0.408 CCCC(C)OCCCOCC(=O)OCC 34a_100000764384_100009893628 [0,2,0,0,0,0|1,0,1]=4 4232 B15R0.408 CCCC(C)OCCCOCC(=O)OCC 7a_100000764384_100009893628 [0,2,0,0,0,0|1,0,1]=4 4233 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000755133_100000766640 [0,2,0,0,0,0|0,0,2]=4 4234 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000766640_100000755133 [0,2,0,0,0,0|0,0,2]=4 4235 B15R0.408 CCCC(C)SCCCOCC(=O)OCC 62a_100000766640_100009893628 [0,2,0,0,0,0|1,0,1]=4 4236 B15R0.408 CCCC(C)SCCCOCC(=O)OCC 62a_100009893628_100000766640 [0,2,0,0,0,0|1,0,1]=4 4237 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 2230a_100000747261_100009814379 [0,2,0,0,0,0|0,0,2]=4 4238 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 269982a_100000747261_100009814379 [0,2,0,0,0,0|0,0,2]=4 4239 B15R0.408 CCC[C@H](N)CCOC/C=C/C(=O)OCC 34a_100015193777_100016267167 [0,2,0,0,0,0|0,0,0]=2 4240 B15R0.408 CCC[C@H](N)CCOCCCC(=O)OCC 34a_100015193777_100009991533 [0,2,0,0,0,0|0,0,2]=4 4241 B15R0.408 CCC[C@H](N)COCCCCC(=O)OCC 34a_100000732646_100000750268 [0,2,0,0,0,0|0,0,2]=4 4242 B15R0.408 CCC[C@H](N)COCCOCC(=O)OCC 34a_100000732646_100000088970 [0,2,0,0,0,0|1,0,1]=4 4243 B15R0.408 CCNC(=O)CCNC/C=C/C(=O)OCC 34a_100025743525_100016267167 [0,2,0,0,0,0|1,0,1]=4 4244 B15R0.408 CCNC(=O)CCSC/C=C/C(=O)OCC 62a_100000737597_100016267167 [0,2,0,0,0,0|1,0,1]=4 4245 B15R0.408 CCNC(=O)CCSC/C=C/C(=O)OCC 62a_100016267167_100000737597 [0,2,0,0,0,0|1,0,1]=4 4246 B15R0.408 CCOC(=O)/C=C/CSCCC(=O)OCC 62a_100000765890_100016267167 [0,2,0,0,0,0|1,0,1]=4 4247 B15R0.408 CCOC(=O)/C=C/CSCCC(=O)OCC 62a_100016267167_100000765890 [0,2,0,0,0,0|1,0,1]=4 4248 B15R0.1733 CCOC(=O)/C=C/CNC(C)CC(C)CC 2230a_100000763565_100016267167 [0,2,0,0,0,0|1,0,0]=3 4249 B15R0.2847 CCOC(=O)/C=C/CNCCN(CC)CC 2230a_100015382049_100016267167 [0,2,0,0,0,0|2,0,0]=4 4250 B15R0.2847 CCOC(=O)/C=C/COCCN(CC)CC 7a_100016990331_100016267167 [0,2,0,0,0,0|2,0,0]=4 4251 B15R0.2847 CCOC(=O)/C=C/CSCCC(OC)OC 62a_100000139399_100016267167 [0,2,0,0,0,0|2,0,0]=4 4252 B15R0.2847 CCOC(=O)/C=C/CSCCC(OC)OC 62a_100016267167_100000139399 [0,2,0,0,0,0|2,0,0]=4 4253 B15R0.2847 CCOC(=O)/C=C/CSCCN(CC)CC 62a_100016267167_100000700428 [0,2,0,0,0,0|2,0,0]=4 4254 B15R0.2951 CCOC(=O)/C=C/CNCCS(=O)(=O)CC 2230a_100000751051_100016267167 [0,2,0,0,0,0|2,0,0]=4 4255 B15R0.2951 CCOC(=O)/C=C/CNCCS(=O)(=O)CC 34a_100000751051_100016267167 [0,2,0,0,0,0|2,0,0]=4 4256 B15R0.2951 CCOC(=O)/C=C/COCCC(C)(C)OC 7a_100000699976_100016267167 [0,2,0,0,0,0|2,0,0]=4 4257 B15R0.2951 CCOC(=O)/C=C/COCCS(=O)(=O)CC 34a_200011216379_100016267167 [0,2,0,0,0,0|2,0,0]=4 4258 B15R0.2951 CCOC(=O)/C=C/COCCS(=O)(=O)CC 7a_200011216379_100016267167 [0,2,0,0,0,0|2,0,0]=4 4259 B15R0.2951 CCOC(=O)/C=C/CSCCS(=O)(=O)CC 62a_100000756660_100016267167 [0,2,0,0,0,0|2,0,0]=4 4260 B15R0.2951 CCOC(=O)/C=C/CSCCS(=O)(=O)CC 62a_100016267167_100000756660 [0,2,0,0,0,0|2,0,0]=4 4261 B15R0.4649 CCOC(=O)C=CC(=O)CCCN(C)CC 1458a_100000210415_100015186262 [0,2,0,0,0,0|1,0,1]=4 4262 B15R0.4649 CCOC(=O)C=CC(=O)NCCC(C)CC 1626a_100020591266_100000210415 [0,2,0,0,0,0|1,0,1]=4 4263 B15R0.4649 CCOC(=O)C=CC(=O)NCCC(C)CC 240690a_100020591266_100000210415 [0,2,0,0,0,0|1,0,1]=4 4264 B15R0.67 CC(C)OC(=O)CC(=O)CCCCCCO 1458a_100011996774_100011215430 [0,2,0,0,0,0|1,0,1]=4 4265 B15R0.67 CCCCCCCC(=O)CC(=O)NC(C)C 1458a_100000211969_100000183996 [0,2,0,0,0,0|1,0,1]=4 4266 B15R0.67 CCCCCCCC(=O)CC(=O)OC(C)C 1458a_100000211969_100011215430 [0,2,0,0,0,0|0,0,1]=3 4267 B15R0.67 CCCCCCCN(C)CC(=O)OC(C)C 2230a_100000228206_100011215430 [0,2,0,0,0,0|1,0,1]=4 4268 B15R0.67 CCCCCCCN(C)CC(=O)OC(C)C 269982a_100000228206_100011215430 [0,2,0,0,0,0|1,0,1]=4 4269 B15R0.67 COCCCCCC(=O)CC(=O)OC(C)C 1458a_100011935119_100011215430 [0,2,0,0,0,0|1,0,1]=4 4270 B15R0.138 C=C(CC(=O)CCCCCCC)OCOC 1458a_100000211969_100000042856 [0,2,0,0,0,0|1,0,1]=4 4271 B15R0.138 C=CCOC(=O)CC(=O)CCCCCCC 1458a_100000211969_100000033060 [0,2,0,0,0,0|0,0,2]=4 4272 B15R0.138 CCCCCCCC(=O)CC(=O)NCCC 1458a_100000211969_100000183358 [0,2,0,0,0,0|1,0,1]=4 4273 B15R0.138 CCCCCCCC(=O)CC(=O)OCCC 1458a_100000211969_200011215008 [0,2,0,0,0,0|0,0,1]=3 4274 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 2230a_100000228206_200011215008 [0,2,0,0,0,0|1,0,1]=4 4275 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 269982a_100000228206_200011215008 [0,2,0,0,0,0|1,0,1]=4 4276 B15R0.138 CCCCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000230325 [0,2,0,0,0,0|1,0,1]=4 4277 B15R0.138 CCCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_200011215008 [0,2,0,0,0,0|1,0,1]=4 4278 B15R0.138 CCCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_200011215008 [0,2,0,0,0,0|1,0,1]=4 4279 B15R0.211 CCCCC(C)CCC(=O)CC(=O)CCC 1458a_100000033779_100000747444 [0,2,0,0,0,0|1,0,1]=4 4280 B15R0.211 CCCCC(C)CCC(=O)CC(=O)NCC 1458a_100000033779_100000183381 [0,2,0,0,0,0|1,0,1]=4 4281 B15R0.211 CCCCC(C)CCC(=O)CC(=O)OCC 1458a_100000033779_100000188475 [0,2,0,0,0,0|0,0,1]=3 4282 B15R0.211 CCCCC(C)NCC(=CC(=O)OCC)C 2230a_100000126638_100135422193 [0,2,0,0,0,0|1,0,0]=3 4283 B15R0.211 CCCCC(C)OCC(=CC(=O)OCC)C 34a_100000687866_100135422193 [0,2,0,0,0,0|1,0,0]=3 4284 B15R0.211 CCCCC(C)OCC(=CC(=O)OCC)C 7a_100000687866_100135422193 [0,2,0,0,0,0|1,0,0]=3 4285 B15R0.211 CCCCC(C)OCC(=O)NC(=O)OCC 7a_100000687866_100000010344 [0,2,0,0,0,0|2,0,0]=4 4286 B15R0.211 CCCCC(C)SCC(=CC(=O)OCC)C 62a_100135422193_200011215066 [0,2,0,0,0,0|1,0,0]=3 4287 B15R0.211 CCCCC(C)SCC(=CC(=O)OCC)C 62a_200011215066_100135422193 [0,2,0,0,0,0|1,0,0]=3 4288 B15R0.211 CCCCC(C)SCC(=O)CC(=O)OCC 62a_100000210311_200011215066 [0,2,0,0,0,0|1,0,1]=4 4289 B15R0.211 CCCCC(C)SCC(=O)CC(=O)OCC 62a_200011215066_100000210311 [0,2,0,0,0,0|1,0,1]=4 4290 B15R0.211 CCCCC(C)SCC(=O)NC(=O)OCC 62a_200011215066_100000010344 [0,2,0,0,0,0|2,0,0]=4 4291 B15R0.211 CCOC(=O)C=C(C)COC(C)CCCCl 34a_200000718107_100135422193 [0,2,0,0,0,0|2,0,0]=4 4292 B15R0.211 CCOC(=O)C=C(C)COC(C)CCCCl 7a_200000718107_100135422193 [0,2,0,0,0,0|2,0,0]=4 4293 B15R0.211 CCOCC(C)OCC(=CC(=O)OCC)C 34a_100000718985_100135422193 [0,2,0,0,0,0|2,0,0]=4 4294 B15R0.211 CCOCC(C)OCC(=CC(=O)OCC)C 7a_100000718985_100135422193 [0,2,0,0,0,0|2,0,0]=4 4295 B15R0.235 CCCCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_200012276598 [0,2,0,0,0,0|0,0,2]=4 4296 B15R0.235 CCCCCC(=O)CC(=O)NC(=O)OCC 1458a_100000212188_100000010344 [0,2,0,0,0,0|1,0,1]=4 4297 B15R0.235 CCCCCC(C)NC(=O)CC(=O)OCC 240690a_100000211957_100000243816 [0,2,0,0,0,0|1,0,1]=4 4298 B15R0.235 CCCCCN(C)CC(=CC(=O)OCC)C 2230a_100000223495_100135422193 [0,2,0,0,0,0|1,0,0]=3 4299 B15R0.235 CCCCCN(C)CC(=CC(=O)OCC)C 269982a_100000223495_100135422193 [0,2,0,0,0,0|1,0,0]=3 4300 B15R0.235 CCCCCN(C)CC(=O)CC(=O)OCC 269982a_100000223495_100000210311 [0,2,0,0,0,0|1,0,1]=4 4301 B15R0.235 CCCCCN(C)CC(=O)NC(=O)OCC 269982a_100000223495_100000010344 [0,2,0,0,0,0|2,0,0]=4 4302 B15R0.235 CCOC(=O)C=C(C)CN(C)CCCCO 2230a_100000717598_100135422193 [0,2,0,0,0,0|2,0,0]=4 4303 B15R0.235 CCOC(=O)C=C(C)CN(C)CCCCO 269982a_100000717598_100135422193 [0,2,0,0,0,0|2,0,0]=4 4304 B15R0.235 CCOC(=O)C=C(C)CN(C)CCCOC 2230a_100000224831_100135422193 [0,2,0,0,0,0|2,0,0]=4 4305 B15R0.235 CCOC(=O)C=C(C)CN(C)CCCOC 269982a_100000224831_100135422193 [0,2,0,0,0,0|2,0,0]=4 4306 B15R0.370 C#CCCCCCCC(=O)CC(=O)OCC 1458a_100000034748_100000188475 [0,2,0,0,0,0|0,0,2]=4 4307 B15R0.370 C#CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100012276617 [0,2,0,0,0,0|0,0,2]=4 4308 B15R0.370 C#CCCCCNCC(=CC(=O)OCC)C 2230a_100000706060_100135422193 [0,2,0,0,0,0|0,0,2]=4 4309 B15R0.370 C#CCCCCNCC(=CC(=O)OCC)C 34a_100000706060_100135422193 [0,2,0,0,0,0|0,0,2]=4 4310 B15R0.370 C#CCCCCOCC(=CC(=O)OCC)C 34a_100000766709_100135422193 [0,2,0,0,0,0|0,0,2]=4 4311 B15R0.370 C#CCCCCOCC(=CC(=O)OCC)C 7a_100000766709_100135422193 [0,2,0,0,0,0|0,0,2]=4 4312 B15R0.370 C#CCCCCSCC(=CC(=O)OCC)C 62a_100010269958_100135422193 [0,2,0,0,0,0|0,0,2]=4 4313 B15R0.370 C#CCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100010269958 [0,2,0,0,0,0|0,0,2]=4 4314 B15R0.370 C=CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215473 [0,2,0,0,0,0|0,0,2]=4 4315 B15R0.370 C=CCCCCCCC(=O)CC(=O)OCC 1458a_100011809334_100000188475 [0,2,0,0,0,0|0,0,2]=4 4316 B15R0.370 C=CCCCCNCC(=CC(=O)OCC)C 2230a_100000703577_100135422193 [0,2,0,0,0,0|0,0,2]=4 4317 B15R0.370 C=CCCCCNCC(=CC(=O)OCC)C 34a_100000703577_100135422193 [0,2,0,0,0,0|0,0,2]=4 4318 B15R0.370 C=CCCCCOCC(=CC(=O)OCC)C 34a_100000766645_100135422193 [0,2,0,0,0,0|0,0,2]=4 4319 B15R0.370 C=CCCCCOCC(=CC(=O)OCC)C 7a_100000766645_100135422193 [0,2,0,0,0,0|0,0,2]=4 4320 B15R0.370 C=CCCCCSCC(=CC(=O)OCC)C 62a_100011215482_100135422193 [0,2,0,0,0,0|0,0,2]=4 4321 B15R0.370 C=CCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100011215482 [0,2,0,0,0,0|0,0,2]=4 4322 B15R0.370 CC/C=C\CCOCC(=CC(=O)OCC)C 34a_100016288707_100135422193 [0,2,0,0,0,0|0,0,2]=4 4323 B15R0.370 CC/C=C\CCOCC(=CC(=O)OCC)C 7a_100016288707_100135422193 [0,2,0,0,0,0|0,0,2]=4 4324 B15R0.370 CC/C=C\CCSCC(=CC(=O)OCC)C 62a_100015370543_100135422193 [0,2,0,0,0,0|0,0,2]=4 4325 B15R0.370 CC/C=C\CCSCC(=CC(=O)OCC)C 62a_100135422193_100015370543 [0,2,0,0,0,0|0,0,2]=4 4326 B15R0.370 CC=CCCCOCC(=CC(=O)OCC)C 34a_100020645299_100135422193 [0,2,0,0,0,0|0,0,2]=4 4327 B15R0.370 CCC#CCCOCC(=CC(=O)OCC)C 34a_100000036655_100135422193 [0,2,0,0,0,0|0,0,2]=4 4328 B15R0.370 CCC#CCCOCC(=CC(=O)OCC)C 7a_100000036655_100135422193 [0,2,0,0,0,0|0,0,2]=4 4329 B15R0.370 CCC/C=C/COCC(=CC(=O)OCC)C 34a_100016278788_100135422193 [0,2,0,0,0,0|0,0,2]=4 4330 B15R0.370 CCC/C=C/COCC(=CC(=O)OCC)C 7a_100016278788_100135422193 [0,2,0,0,0,0|0,0,2]=4 4331 B15R0.370 CCCC#CCOCC(=CC(=O)OCC)C 34a_100000034806_100135422193 [0,2,0,0,0,0|0,0,2]=4 4332 B15R0.370 CCCC#CCOCC(=CC(=O)OCC)C 7a_100000034806_100135422193 [0,2,0,0,0,0|0,0,2]=4 4333 B15R0.370 CCCC(=CC(=O)CCCCCCCO)C 1458a_100020676950_100000760002 [0,2,0,0,0,0|2,0,0]=4 4334 B15R0.370 CCCC(=CC(=O)CCCCCCOC)C 1458a_100020676950_100011998445 [0,2,0,0,0,0|2,0,0]=4 4335 B15R0.370 CCCC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000747444 [0,2,0,0,0,0|1,0,1]=4 4336 B15R0.370 CCCCC/C=C/CC(=O)CC(=O)OCC 1458a_100020675968_100000188475 [0,2,0,0,0,0|0,0,2]=4 4337 B15R0.370 CCCCCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009816472 [0,2,0,0,0,0|0,0,2]=4 4338 B15R0.370 CCCCCCC=CC(=O)CC(=O)CCC 1458a_200015324643_100000747444 [0,2,0,0,0,0|1,0,1]=4 4339 B15R0.370 CCCCCCC=CC(=O)CC(=O)NCC 1458a_200015324643_100000183381 [0,2,0,0,0,0|1,0,1]=4 4340 B15R0.370 CCCCCCC=CC(=O)CC(=O)OCC 1458a_200015324643_100000188475 [0,2,0,0,0,0|0,0,1]=3 4341 B15R0.370 CCCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210759 [0,2,0,0,0,0|2,0,0]=4 4342 B15R0.370 CCCCCCCCC(=O)CC(=O)CCC 1458a_100000210188_100000747444 [0,2,0,0,0,0|1,0,1]=4 4343 B15R0.370 CCCCCCCCC(=O)CC(=O)NCC 1458a_100000210188_100000183381 [0,2,0,0,0,0|1,0,1]=4 4344 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000210188_100000188475 [0,2,0,0,0,0|0,0,1]=3 4345 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210759 [0,2,0,0,0,0|0,0,1]=3 4346 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000207567_100000188475 [0,2,0,0,0,0|0,0,2]=4 4347 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210759 [0,2,0,0,0,0|0,0,2]=4 4348 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 269982a_100000207567_100000188475 [0,2,0,0,0,0|0,0,2]=4 4349 B15R0.370 CCCCCCCNC(=O)C=C(C)CCC 11a_100000229938_100020676950 [0,2,0,0,0,0|2,0,0]=4 4350 B15R0.370 CCCCCCCNC(=O)C=C(C)CCC 1626a_100000229938_100020676950 [0,2,0,0,0,0|2,0,0]=4 4351 B15R0.370 CCCCCCCNC(=O)C=C(C)CCC 240690a_100000229938_100020676950 [0,2,0,0,0,0|2,0,0]=4 4352 B15R0.370 CCCCCCCNC(=O)CC(=O)OCC 240690a_100000229938_100000243816 [0,2,0,0,0,0|0,0,1]=3 4353 B15R0.370 CCCCCCCNC(C)CC(=O)OCC 2230a_100000229938_100009817359 [0,2,0,0,0,0|0,0,2]=4 4354 B15R0.370 CCCCCCCOC(C)CC(=O)OCC 7a_100000210272_100009817359 [0,2,0,0,0,0|0,0,2]=4 4355 B15R0.370 CCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210614 [0,2,0,0,0,0|0,0,2]=4 4356 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100000210614_100009817359 [0,2,0,0,0,0|0,0,2]=4 4357 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210316 [0,2,0,0,0,0|0,0,2]=4 4358 B15R0.370 CCCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210316 [0,2,0,0,0,0|1,0,1]=4 4359 B15R0.370 CCCCCCCSC(C)OC(=O)OCC 62a_100000210614_100000036008 [0,2,0,0,0,0|1,0,1]=4 4360 B15R0.370 CCCCCCNCC(=CC(=O)OCC)C 2230a_100000210581_100135422193 [0,2,0,0,0,0|0,0,0]=2 4361 B15R0.370 CCCCCCNCC(=O)NC(=O)NCC 2230a_100000210581_100000183762 [0,2,0,0,0,0|2,0,0]=4 4362 B15R0.370 CCCCCCOCC(=CC(=O)OCC)C 34a_100000210259_100135422193 [0,2,0,0,0,0|0,0,0]=2 4363 B15R0.370 CCCCCCOCC(=CC(=O)OCC)C 7a_100000210259_100135422193 [0,2,0,0,0,0|0,0,0]=2 4364 B15R0.370 CCCCCCOCC(=O)NC(=O)NCC 7a_100000210259_100000183762 [0,2,0,0,0,0|2,0,0]=4 4365 B15R0.370 CCCCCCOCC(=O)NC(=O)OCC 7a_100000210259_100000010344 [0,2,0,0,0,0|1,0,0]=3 4366 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210259_100000688340 [0,2,0,0,0,0|0,0,2]=4 4367 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210259_100000688340 [0,2,0,0,0,0|0,0,2]=4 4368 B15R0.370 CCCCCCSCC(=CC(=O)OCC)C 62a_100000210314_100135422193 [0,2,0,0,0,0|0,0,0]=2 4369 B15R0.370 CCCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210757 [0,2,0,0,0,0|0,0,0]=2 4370 B15R0.370 CCCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210757 [0,2,0,0,0,0|0,0,1]=3 4371 B15R0.370 CCCCCCSCC(=O)CC(=O)OCC 62a_100000210314_100000210311 [0,2,0,0,0,0|0,0,1]=3 4372 B15R0.370 CCCCCCSCC(=O)NC(=O)NCC 62a_100000210314_100000183762 [0,2,0,0,0,0|2,0,0]=4 4373 B15R0.370 CCCCCCSCC(=O)NC(=O)OCC 62a_100000210314_100000010344 [0,2,0,0,0,0|1,0,0]=3 4374 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210314_100000688340 [0,2,0,0,0,0|0,0,2]=4 4375 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210757 [0,2,0,0,0,0|0,0,2]=4 4376 B15R0.370 CCCCCNN=C/C(=C/C(=O)OCC)/C 4a_100000694160_200016988100 [0,2,0,0,0,0|1,0,1]=4 4377 B15R0.370 CCCCOCSCC(=CC(=O)OCC)C 62a_100011995733_100135422193 [0,2,0,0,0,0|1,0,0]=3 4378 B15R0.370 CCCCOCSCC(=CC(=O)OCC)C 62a_100135422193_100011995733 [0,2,0,0,0,0|1,0,0]=3 4379 B15R0.370 CCCCOCSCC(=O)CC(=O)OCC 62a_100000210311_100011995733 [0,2,0,0,0,0|1,0,1]=4 4380 B15R0.370 CCCCOCSCC(=O)CC(=O)OCC 62a_100011995733_100000210311 [0,2,0,0,0,0|1,0,1]=4 4381 B15R0.370 CCCCOCSCC(=O)NC(=O)OCC 62a_100011995733_100000010344 [0,2,0,0,0,0|2,0,0]=4 4382 B15R0.370 CCCCSCCNC(=O)CC(=O)OCC 240690a_100025743550_100000243816 [0,2,0,0,0,0|1,0,1]=4 4383 B15R0.370 CCCOCCCNC(=O)CC(=O)OCC 240690a_100011217757_100000243816 [0,2,0,0,0,0|1,0,1]=4 4384 B15R0.370 CCCOCCNCC(=CC(=O)OCC)C 2230a_100161115042_100135422193 [0,2,0,0,0,0|1,0,0]=3 4385 B15R0.370 CCCOCCNCC(=CC(=O)OCC)C 34a_100161115042_100135422193 [0,2,0,0,0,0|1,0,0]=3 4386 B15R0.370 CCCOCCOCC(=CC(=O)OCC)C 34a_100000752267_100135422193 [0,2,0,0,0,0|1,0,0]=3 4387 B15R0.370 CCCOCCOCC(=CC(=O)OCC)C 7a_100000752267_100135422193 [0,2,0,0,0,0|1,0,0]=3 4388 B15R0.370 CCCOCCOCC(=O)NC(=O)OCC 7a_100000752267_100000010344 [0,2,0,0,0,0|2,0,0]=4 4389 B15R0.370 CCCOCCSCC(=CC(=O)OCC)C 62a_100011215938_100135422193 [0,2,0,0,0,0|1,0,0]=3 4390 B15R0.370 CCCOCCSCC(=CC(=O)OCC)C 62a_100135422193_100011215938 [0,2,0,0,0,0|1,0,0]=3 4391 B15R0.370 CCCOCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215938 [0,2,0,0,0,0|1,0,1]=4 4392 B15R0.370 CCCOCCSCC(=O)CC(=O)OCC 62a_100011215938_100000210311 [0,2,0,0,0,0|1,0,1]=4 4393 B15R0.370 CCCOCCSCC(=O)NC(=O)OCC 62a_100011215938_100000010344 [0,2,0,0,0,0|2,0,0]=4 4394 B15R0.370 CCCSCCNCC(=CC(=O)OCC)C 2230a_100020603323_100135422193 [0,2,0,0,0,0|1,0,0]=3 4395 B15R0.370 CCCSCCOCC(=CC(=O)OCC)C 34a_200000230433_100135422193 [0,2,0,0,0,0|1,0,0]=3 4396 B15R0.370 CCCSCCOCC(=CC(=O)OCC)C 7a_200000230433_100135422193 [0,2,0,0,0,0|1,0,0]=3 4397 B15R0.370 CCCSCCOCC(=O)NC(=O)OCC 7a_200000230433_100000010344 [0,2,0,0,0,0|2,0,0]=4 4398 B15R0.370 CCNC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000183381 [0,2,0,0,0,0|1,0,1]=4 4399 B15R0.370 CCOC(=O)C=C(C)CNCCCCCO 2230a_100000762737_100135422193 [0,2,0,0,0,0|1,0,0]=3 4400 B15R0.370 CCOC(=O)C=C(C)CNCCCCCO 34a_100000762737_100135422193 [0,2,0,0,0,0|1,0,0]=3 4401 B15R0.370 CCOC(=O)C=C(C)CNCCOCCO 2230a_100000211614_100135422193 [0,2,0,0,0,0|2,0,0]=4 4402 B15R0.370 CCOC(=O)C=C(C)CNCCOCCO 34a_100000211614_100135422193 [0,2,0,0,0,0|2,0,0]=4 4403 B15R0.370 CCOC(=O)C=C(C)CNCCSCCO 2230a_100011219999_100135422193 [0,2,0,0,0,0|2,0,0]=4 4404 B15R0.370 CCOC(=O)C=C(C)COCCCCCBr 34a_100000746331_100135422193 [0,2,0,0,0,0|1,0,0]=3 4405 B15R0.370 CCOC(=O)C=C(C)COCCCCCBr 7a_100000746331_100135422193 [0,2,0,0,0,0|1,0,0]=3 4406 B15R0.370 CCOC(=O)C=C(C)COCCCCCCl 34a_100000746330_100135422193 [0,2,0,0,0,0|1,0,0]=3 4407 B15R0.370 CCOC(=O)C=C(C)COCCCCCCl 7a_100000746330_100135422193 [0,2,0,0,0,0|1,0,0]=3 4408 B15R0.370 CCOC(=O)C=C(C)COCCCCCI 34a_200012148887_100135422193 [0,2,0,0,0,0|1,0,0]=3 4409 B15R0.370 CCOC(=O)C=C(C)COCCCCCI 7a_200012148887_100135422193 [0,2,0,0,0,0|1,0,0]=3 4410 B15R0.370 CCOC(=O)C=C(C)COCCCCCN 34a_100000762737_100135422193 [0,2,0,0,0,0|1,0,0]=3 4411 B15R0.370 CCOC(=O)C=C(C)COCCCCOC 34a_100000740925_100135422193 [0,2,0,0,0,0|1,0,0]=3 4412 B15R0.370 CCOC(=O)C=C(C)COCCCCSC 34a_100011217163_100135422193 [0,2,0,0,0,0|1,0,0]=3 4413 B15R0.370 CCOC(=O)C=C(C)COCCCCSC 7a_100011217163_100135422193 [0,2,0,0,0,0|1,0,0]=3 4414 B15R0.370 CCOC(=O)C=C(C)COCCCSCC 34a_100011216438_100135422193 [0,2,0,0,0,0|1,0,0]=3 4415 B15R0.370 CCOC(=O)C=C(C)COCCCSCC 7a_100011216438_100135422193 [0,2,0,0,0,0|1,0,0]=3 4416 B15R0.370 CCOC(=O)C=C(C)COCCOCCBr 34a_100000692535_100135422193 [0,2,0,0,0,0|2,0,0]=4 4417 B15R0.370 CCOC(=O)C=C(C)COCCOCCBr 7a_100000692535_100135422193 [0,2,0,0,0,0|2,0,0]=4 4418 B15R0.370 CCOC(=O)C=C(C)COCCOCCCl 34a_100011215305_100135422193 [0,2,0,0,0,0|2,0,0]=4 4419 B15R0.370 CCOC(=O)C=C(C)COCCOCCCl 7a_100011215305_100135422193 [0,2,0,0,0,0|2,0,0]=4 4420 B15R0.370 CCOC(=O)C=C(C)COCCOCCF 34a_200015357709_100135422193 [0,2,0,0,0,0|2,0,0]=4 4421 B15R0.370 CCOC(=O)C=C(C)COCCOCCF 7a_200015357709_100135422193 [0,2,0,0,0,0|2,0,0]=4 4422 B15R0.370 CCOC(=O)C=C(C)COCCOCCI 34a_100012149058_100135422193 [0,2,0,0,0,0|2,0,0]=4 4423 B15R0.370 CCOC(=O)C=C(C)COCCOCCI 7a_100012149058_100135422193 [0,2,0,0,0,0|2,0,0]=4 4424 B15R0.370 CCOC(=O)C=C(C)COCCOCCN 34a_100000211614_100135422193 [0,2,0,0,0,0|2,0,0]=4 4425 B15R0.370 CCOC(=O)C=C(C)CSCCCCC#N 62a_100011219923_100135422193 [0,2,0,0,0,0|1,0,1]=4 4426 B15R0.370 CCOC(=O)C=C(C)CSCCCCC#N 62a_100135422193_100000211819 [0,2,0,0,0,0|1,0,1]=4 4427 B15R0.370 CCOC(=O)C=C(C)CSCCCCC=O 62a_100000139335_100135422193 [0,2,0,0,0,0|1,0,1]=4 4428 B15R0.370 CCOC(=O)C=C(C)CSCCCCC=O 62a_100135422193_100000139335 [0,2,0,0,0,0|1,0,1]=4 4429 B15R0.370 CCOC(=O)C=C(C)CSCCCCCF 62a_100000729378_100135422193 [0,2,0,0,0,0|1,0,0]=3 4430 B15R0.370 CCOC(=O)C=C(C)CSCCCCCF 62a_100135422193_100000729378 [0,2,0,0,0,0|1,0,0]=3 4431 B15R0.370 CCOC(=O)C=C(C)CSCCCCCO 62a_100000746330_100135422193 [0,2,0,0,0,0|1,0,0]=3 4432 B15R0.370 CCOC(=O)C=C(C)CSCCCCCO 62a_100135422193_100000746330 [0,2,0,0,0,0|1,0,0]=3 4433 B15R0.370 CCOC(=O)C=C(C)CSCCCCOC 62a_100000730899_100135422193 [0,2,0,0,0,0|1,0,0]=3 4434 B15R0.370 CCOC(=O)C=C(C)CSCCCCOC 62a_100135422193_100000730899 [0,2,0,0,0,0|1,0,0]=3 4435 B15R0.370 CCOC(=O)C=C(C)CSCCOCCO 62a_100011215305_100135422193 [0,2,0,0,0,0|2,0,0]=4 4436 B15R0.370 CCOC(=O)C=C(C)CSCCOCCO 62a_100135422193_100011215305 [0,2,0,0,0,0|2,0,0]=4 4437 B15R0.370 CCOC(=O)C=C(C)CSCOCCOC 62a_100000231047_100135422193 [0,2,0,0,0,0|2,0,0]=4 4438 B15R0.370 CCOC(=O)C=C(C)CSCOCCOC 62a_100135422193_100000231047 [0,2,0,0,0,0|2,0,0]=4 4439 B15R0.370 CCOC(=O)CC(=O)CCCCCCC#N 1458a_100000243816_100009813337 [0,2,0,0,0,0|0,0,2]=4 4440 B15R0.370 CCOC(=O)CC(=O)CCCCCCCO 1458a_100000243816_100000760002 [0,2,0,0,0,0|0,0,1]=3 4441 B15R0.370 CCOC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000188475 [0,2,0,0,0,0|0,0,1]=3 4442 B15R0.370 CCOC(=O)CC(=O)CCCCCCOC 1458a_100000243816_100011998445 [0,2,0,0,0,0|0,0,1]=3 4443 B15R0.370 CCOC(=O)CC(=O)CCCOCCOC 1458a_100000243816_100011216529 [0,2,0,0,0,0|1,0,1]=4 4444 B15R0.370 CCOC(=O)CC(=O)CSCCCCCF 62a_100000210311_100000729378 [0,2,0,0,0,0|1,0,1]=4 4445 B15R0.370 CCOC(=O)CC(=O)CSCCCCCF 62a_100000729378_100000210311 [0,2,0,0,0,0|1,0,1]=4 4446 B15R0.370 CCOC(=O)CC(=O)CSCCCCCO 62a_100000210311_100000746330 [0,2,0,0,0,0|1,0,1]=4 4447 B15R0.370 CCOC(=O)CC(=O)CSCCCCCO 62a_100000746330_100000210311 [0,2,0,0,0,0|1,0,1]=4 4448 B15R0.370 CCOC(=O)CC(=O)CSCCCCOC 62a_100000210311_100000730899 [0,2,0,0,0,0|1,0,1]=4 4449 B15R0.370 CCOC(=O)CC(=O)CSCCCCOC 62a_100000730899_100000210311 [0,2,0,0,0,0|1,0,1]=4 4450 B15R0.370 CCOC(=O)CC(=O)NCCCCCCO 240690a_100000686447_100000243816 [0,2,0,0,0,0|1,0,1]=4 4451 B15R0.370 CCOC(=O)CC(=O)NCCCCCOC 240690a_100000747528_100000243816 [0,2,0,0,0,0|1,0,1]=4 4452 B15R0.370 CCOC(=O)CN(C)CCCCCCCO 2230a_100000220588_100000760002 [0,2,0,0,0,0|1,0,1]=4 4453 B15R0.370 CCOC(=O)CN(C)CCCCCCOC 2230a_100000220588_100011998445 [0,2,0,0,0,0|1,0,1]=4 4454 B15R0.370 CCOC(=O)NC(=O)COCCCCCBr 7a_100000746331_100000010344 [0,2,0,0,0,0|2,0,0]=4 4455 B15R0.370 CCOC(=O)NC(=O)COCCCCCCl 7a_100000746330_100000010344 [0,2,0,0,0,0|2,0,0]=4 4456 B15R0.370 CCOC(=O)NC(=O)COCCCCCI 7a_200012148887_100000010344 [0,2,0,0,0,0|2,0,0]=4 4457 B15R0.370 CCOC(=O)NC(=O)COCCCCSC 7a_100011217163_100000010344 [0,2,0,0,0,0|2,0,0]=4 4458 B15R0.370 CCOC(=O)NC(=O)COCCCSCC 7a_100011216438_100000010344 [0,2,0,0,0,0|2,0,0]=4 4459 B15R0.370 CCOC(=O)NC(=O)CSCCCCCF 62a_100000729378_100000010344 [0,2,0,0,0,0|2,0,0]=4 4460 B15R0.370 CCOC(=O)NC(=O)CSCCCCCO 62a_100000746330_100000010344 [0,2,0,0,0,0|2,0,0]=4 4461 B15R0.370 CCOC(=O)NC(=O)CSCCCCOC 62a_100000730899_100000010344 [0,2,0,0,0,0|2,0,0]=4 4462 B15R0.370 CCOCCCNCC(=CC(=O)OCC)C 2230a_100000210961_100135422193 [0,2,0,0,0,0|1,0,0]=3 4463 B15R0.370 CCOCCCNCC(=CC(=O)OCC)C 34a_100000210961_100135422193 [0,2,0,0,0,0|1,0,0]=3 4464 B15R0.370 CCOCCCOCC(=CC(=O)OCC)C 34a_100000757476_100135422193 [0,2,0,0,0,0|1,0,0]=3 4465 B15R0.370 CCOCCCOCC(=CC(=O)OCC)C 7a_100000757476_100135422193 [0,2,0,0,0,0|1,0,0]=3 4466 B15R0.370 CCOCCCOCC(=O)NC(=O)OCC 7a_100000757476_100000010344 [0,2,0,0,0,0|2,0,0]=4 4467 B15R0.370 CCOCCCSCC(=CC(=O)OCC)C 62a_100012232248_100135422193 [0,2,0,0,0,0|1,0,0]=3 4468 B15R0.370 CCOCCCSCC(=CC(=O)OCC)C 62a_100135422193_100012232248 [0,2,0,0,0,0|1,0,0]=3 4469 B15R0.370 CCOCCCSCC(=O)CC(=O)OCC 62a_100000210311_100012232248 [0,2,0,0,0,0|1,0,1]=4 4470 B15R0.370 CCOCCCSCC(=O)CC(=O)OCC 62a_100012232248_100000210311 [0,2,0,0,0,0|1,0,1]=4 4471 B15R0.370 CCOCCCSCC(=O)NC(=O)OCC 62a_100012232248_100000010344 [0,2,0,0,0,0|2,0,0]=4 4472 B15R0.370 CCOCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011211534 [0,2,0,0,0,0|1,0,1]=4 4473 B15R0.399 CCCC(=CC(=O)CCCCCC(C)C)C 1458a_100020676950_100000210682 [0,2,0,0,0,0|2,0,0]=4 4474 B15R0.399 CCCC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_100000747444 [0,2,0,0,0,0|1,0,1]=4 4475 B15R0.399 CCNC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_100000183381 [0,2,0,0,0,0|1,0,1]=4 4476 B15R0.399 CCOC(=O)C=C(C)CNCCCC(C)C 2230a_200000737386_100135422193 [0,2,0,0,0,0|1,0,0]=3 4477 B15R0.399 CCOC(=O)C=C(C)CNCCCC(C)C 34a_200000737386_100135422193 [0,2,0,0,0,0|1,0,0]=3 4478 B15R0.399 CCOC(=O)C=C(C)CNCCCS(=O)C 2230a_200000753449_100135422193 [0,2,0,0,0,0|2,0,0]=4 4479 B15R0.399 CCOC(=O)C=C(C)CNCCOC(C)C 2230a_100000701111_100135422193 [0,2,0,0,0,0|2,0,0]=4 4480 B15R0.399 CCOC(=O)C=C(C)CNCCOC(C)C 34a_100000701111_100135422193 [0,2,0,0,0,0|2,0,0]=4 4481 B15R0.399 CCOC(=O)C=C(C)CNCCSC(C)C 2230a_100000731138_100135422193 [0,2,0,0,0,0|2,0,0]=4 4482 B15R0.399 CCOC(=O)C=C(C)CNCCSC(C)C 34a_100000731138_100135422193 [0,2,0,0,0,0|2,0,0]=4 4483 B15R0.399 CCOC(=O)C=C(C)COCCCC(=O)C 34a_100000759063_100135422193 [0,2,0,0,0,0|1,0,1]=4 4484 B15R0.399 CCOC(=O)C=C(C)COCCCC(=O)C 7a_100000759063_100135422193 [0,2,0,0,0,0|1,0,1]=4 4485 B15R0.399 CCOC(=O)C=C(C)COCCCC(C)C 34a_100000210774_100135422193 [0,2,0,0,0,0|1,0,0]=3 4486 B15R0.399 CCOC(=O)C=C(C)COCCCC(C)C 7a_100000210774_100135422193 [0,2,0,0,0,0|1,0,0]=3 4487 B15R0.399 CCOC(=O)C=C(C)COCCNC(C)C 34a_100000224655_100135422193 [0,2,0,0,0,0|2,0,0]=4 4488 B15R0.399 CCOC(=O)C=C(C)COCCOC(C)C 34a_100000211219_100135422193 [0,2,0,0,0,0|2,0,0]=4 4489 B15R0.399 CCOC(=O)C=C(C)COCCOC(C)C 7a_100000211219_100135422193 [0,2,0,0,0,0|2,0,0]=4 4490 B15R0.399 CCOC(=O)C=C(C)COCCSC(C)C 34a_200011212901_100135422193 [0,2,0,0,0,0|2,0,0]=4 4491 B15R0.399 CCOC(=O)C=C(C)COCCSC(C)C 7a_200011212901_100135422193 [0,2,0,0,0,0|2,0,0]=4 4492 B15R0.399 CCOC(=O)C=C(C)CSCCCC(=O)C 62a_100011215641_100135422193 [0,2,0,0,0,0|1,0,1]=4 4493 B15R0.399 CCOC(=O)C=C(C)CSCCCC(=O)C 62a_100135422193_100011215641 [0,2,0,0,0,0|1,0,1]=4 4494 B15R0.399 CCOC(=O)C=C(C)CSCCCC(C)C 62a_100011214892_100135422193 [0,2,0,0,0,0|1,0,0]=3 4495 B15R0.399 CCOC(=O)C=C(C)CSCCCC(C)C 62a_100135422193_100011214892 [0,2,0,0,0,0|1,0,0]=3 4496 B15R0.399 CCOC(=O)C=C(C)CSCCCC(C)O 62a_100135422193_200000718107 [0,2,0,0,0,0|1,0,0]=3 4497 B15R0.399 CCOC(=O)C=C(C)CSCCCC(C)O 62a_200000718107_100135422193 [0,2,0,0,0,0|1,0,0]=3 4498 B15R0.399 CCOC(=O)C=C(C)CSCCCN(C)C 62a_100135422193_100000757444 [0,2,0,0,0,0|2,0,0]=4 4499 B15R0.399 CCOC(=O)C=C(C)CSCCOC(C)C 62a_100000211751_100135422193 [0,2,0,0,0,0|2,0,0]=4 4500 B15R0.399 CCOC(=O)C=C(C)CSCCOC(C)C 62a_100135422193_100000211751 [0,2,0,0,0,0|2,0,0]=4 4501 B15R0.399 CCOC(=O)C=C(C)CSCCSC(C)C 62a_100000730970_100135422193 [0,2,0,0,0,0|2,0,0]=4 4502 B15R0.399 CCOC(=O)C=C(C)CSCCSC(C)C 62a_100135422193_100000730970 [0,2,0,0,0,0|2,0,0]=4 4503 B15R0.399 CCOC(=O)CC(=O)CCCCCC(C)C 1458a_100000243816_100000210682 [0,2,0,0,0,0|0,0,1]=3 4504 B15R0.399 CCOC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_100000188475 [0,2,0,0,0,0|0,0,1]=3 4505 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)C 62a_100000210311_100011214892 [0,2,0,0,0,0|1,0,1]=4 4506 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)C 62a_100011214892_100000210311 [0,2,0,0,0,0|1,0,1]=4 4507 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)O 62a_100000210311_200000718107 [0,2,0,0,0,0|1,0,1]=4 4508 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)O 62a_200000718107_100000210311 [0,2,0,0,0,0|1,0,1]=4 4509 B15R0.399 CCOC(=O)CN(C)CCCCCC(C)C 2230a_100000220588_100000210682 [0,2,0,0,0,0|1,0,1]=4 4510 B15R0.399 CCOC(=O)NC(=O)COCCCC(C)C 7a_100000210774_100000010344 [0,2,0,0,0,0|2,0,0]=4 4511 B15R0.399 CCOC(=O)NC(=O)CSCCCC(C)C 62a_100011214892_100000010344 [0,2,0,0,0,0|2,0,0]=4 4512 B15R0.399 CCOC(=O)NC(=O)CSCCCC(C)O 62a_200000718107_100000010344 [0,2,0,0,0,0|2,0,0]=4 4513 B15R0.1921 CCCCCCC(C)C(=O)C=C(C)CCC 1458a_100020676950_100011215978 [0,2,0,0,0,0|2,0,0]=4 4514 B15R0.1921 CCCCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_100011215978 [0,2,0,0,0,0|0,0,1]=3 4515 B15R0.1921 CCCCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_100011215978 [0,2,0,0,0,0|1,0,1]=4 4516 B15R0.1921 CCCCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000210826 [0,2,0,0,0,0|1,0,1]=4 4517 B15R0.1921 CCCCCCC(O)C(=O)CC(=O)CCC 1458a_100011215828_100000747444 [0,2,0,0,0,0|1,0,1]=4 4518 B15R0.1921 CCCCCCC(O)C(=O)CC(=O)NCC 1458a_100011215828_100000183381 [0,2,0,0,0,0|1,0,1]=4 4519 B15R0.1921 CCCCCCC(O)C(=O)CC(=O)OCC 1458a_100011215828_100000188475 [0,2,0,0,0,0|0,0,1]=3 4520 B15R0.1921 CCCCCCN(C)C(=O)CC(=O)OCC 240690a_106256046315_100000243816 [0,2,0,0,0,0|1,0,1]=4 4521 B15R0.1921 CCCCCSC(C)C(=O)CC(=O)OCC 62a_100000210326_100010090504 [0,2,0,0,0,0|1,0,1]=4 4522 B15R0.1921 CCCCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210326 [0,2,0,0,0,0|1,0,1]=4 4523 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210681 [0,2,0,0,0,0|1,0,1]=4 4524 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 2230a_100000228213_100000188475 [0,2,0,0,0,0|1,0,1]=4 4525 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210681 [0,2,0,0,0,0|1,0,1]=4 4526 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 269982a_100000228213_100000188475 [0,2,0,0,0,0|1,0,1]=4 4527 B15R0.4374 CCCCCCCC(=O)C(C)C(=O)NCC 1458a_100000211969_100000230173 [0,2,0,0,0,0|1,0,1]=4 4528 B15R0.4374 CCCCCCCC(=O)C(C)C(=O)OCC 1458a_100000211969_100011216346 [0,2,0,0,0,0|0,0,1]=3 4529 B15R0.4374 CCCCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210614 [0,2,0,0,0,0|0,0,1]=3 4530 B15R0.4374 CCCCCCCC(=O)C(F)C(=O)OCC 1458a_100000211969_100000760018 [0,2,0,0,0,0|0,0,1]=3 4531 B15R0.4374 CCCCCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011218727 [0,2,0,0,0,0|1,0,1]=4 4532 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)NCC 1626a_100000228206_200011297158 [0,2,0,0,0,0|2,0,0]=4 4533 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)NCC 240690a_100000228206_200011297158 [0,2,0,0,0,0|2,0,0]=4 4534 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)NCC 527a_100000228206_200011297158 [0,2,0,0,0,0|2,0,0]=4 4535 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)OCC 11a_100000228206_100014798877 [0,2,0,0,0,0|1,0,0]=3 4536 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)OCC 1626a_100000228206_100014798877 [0,2,0,0,0,0|1,0,0]=3 4537 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)OCC 240690a_100000228206_100014798877 [0,2,0,0,0,0|1,0,0]=3 4538 B15R0.4374 CCCCCCCN(C)C(C)C(=O)OCC 2230a_100000228206_100011215307 [0,2,0,0,0,0|1,0,1]=4 4539 B15R0.4374 CCCCCCCN(C)C(C)C(=O)OCC 269982a_100000228206_100011216346 [0,2,0,0,0,0|1,0,1]=4 4540 B15R0.4374 CCCCCCCN(C)C(F)C(=O)OCC 2230a_100000228206_100000760018 [0,2,0,0,0,0|1,0,1]=4 4541 B15R0.4374 CCCCCCCN(C)C(F)C(=O)OCC 269982a_100000228206_100000760018 [0,2,0,0,0,0|1,0,1]=4 4542 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 11a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 4543 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 1626a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 4544 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 240690a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 4545 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 527a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 4546 B15R0.4374 CCCCCCNC(C)C(=O)C(=O)OCC 2230a_100000210581_100010256902 [0,2,0,0,0,0|1,0,1]=4 4547 B15R0.4374 CCCCCCSC(C)C(=O)C(=O)OCC 62a_100000210314_100010256902 [0,2,0,0,0,0|1,0,1]=4 4548 B15R0.4374 CCCCCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210757 [0,2,0,0,0,0|1,0,1]=4 4549 B15R0.4374 CCCCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000743108 [0,2,0,0,0,0|1,0,1]=4 4550 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCCF 1458a_100132301724_100015922095 [0,2,0,0,0,0|1,0,1]=4 4551 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCCO 1458a_100011996774_100011216346 [0,2,0,0,0,0|1,0,1]=4 4552 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCCO 1458a_100132301724_100000766143 [0,2,0,0,0,0|1,0,1]=4 4553 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCOC 1458a_100011935119_100011216346 [0,2,0,0,0,0|1,0,1]=4 4554 B15R0.4374 CCOC(=O)C(F)C(=O)CCCCCCO 1458a_100011996774_100000760018 [0,2,0,0,0,0|1,0,1]=4 4555 B15R0.4374 CCOC(=O)C(F)C(=O)CCCCCOC 1458a_100011935119_100000760018 [0,2,0,0,0,0|1,0,1]=4 4556 B15R0.4384 CCCCCCCC(=O)CC(=O)N(C)CC 1458a_100000211969_100011894763 [0,2,0,0,0,0|1,0,1]=4 4557 B15R0.5 C=C(COCC(C)CCCC)C(=O)OCC 34a_100011995851_100000755967 [0,2,0,0,0,0|1,0,1]=4 4558 B15R0.5 C=C(COCC(C)CCCC)C(=O)OCC 7a_100011995851_100000755967 [0,2,0,0,0,0|1,0,1]=4 4559 B15R0.5 C=C(COC[C@@H](N)CCCC)C(=O)OCC 34a_100011934283_100000755967 [0,2,0,0,0,0|1,0,1]=4 4560 B15R0.5 CCCCN(C)CCNC(=O)C(=O)OCC 1626a_200000754967_100014798877 [0,2,0,0,0,0|2,0,0]=4 4561 B15R0.5 CCCCN(C)CCNC(=O)C(=O)OCC 240690a_200000754967_100014798877 [0,2,0,0,0,0|2,0,0]=4 4562 B15R0.197 C=C(CN(C)CCCCCC)C(=O)OCC 269982a_106256046315_100000755967 [0,2,0,0,0,0|1,0,1]=4 4563 B15R0.197 CCCCCCC(C)NC(=O)C(=O)NCC 1626a_100000210919_200011297158 [0,2,0,0,0,0|2,0,0]=4 4564 B15R0.197 CCCCCCC(C)NC(=O)C(=O)NCC 240690a_100000210919_200011297158 [0,2,0,0,0,0|2,0,0]=4 4565 B15R0.197 CCCCCCC(C)NC(=O)C(=O)NCC 527a_100000210919_200011297158 [0,2,0,0,0,0|2,0,0]=4 4566 B15R0.197 CCCCCCC(C)NC(=O)C(=O)OCC 11a_100000210919_100014798877 [0,2,0,0,0,0|1,0,0]=3 4567 B15R0.197 CCCCCCC(C)NC(=O)C(=O)OCC 1626a_100000210919_100014798877 [0,2,0,0,0,0|1,0,0]=3 4568 B15R0.197 CCCCCCC(C)NC(=O)C(=O)OCC 240690a_100000210919_100014798877 [0,2,0,0,0,0|1,0,0]=3 4569 B15R0.197 CCCCCCC(C)NC(C)C(=O)OCC 2230a_100000210919_100011215307 [0,2,0,0,0,0|1,0,1]=4 4570 B15R0.197 CCCCCCC(C)NC(C)C(=O)OCC 34a_100000210919_100011216346 [0,2,0,0,0,0|1,0,1]=4 4571 B15R0.197 CCCCCCC(C)NC(F)C(=O)OCC 2230a_100000210919_100000760018 [0,2,0,0,0,0|1,0,1]=4 4572 B15R0.197 CCCCCCC(C)NC(F)C(=O)OCC 34a_100000210919_100000760018 [0,2,0,0,0,0|1,0,1]=4 4573 B15R0.197 CCCCCCC(C)OC(C)C(=O)OCC 34a_100000210265_100011216346 [0,2,0,0,0,0|1,0,1]=4 4574 B15R0.197 CCCCCCC(C)OC(C)C(=O)OCC 7a_100000210265_100011216346 [0,2,0,0,0,0|1,0,1]=4 4575 B15R0.197 CCCCCCC(C)OC(F)C(=O)OCC 34a_100000210265_100000760018 [0,2,0,0,0,0|1,0,1]=4 4576 B15R0.197 CCCCCCC(C)OC(F)C(=O)OCC 7a_100000210265_100000040065 [0,2,0,0,0,0|1,0,1]=4 4577 B15R0.197 CCCCCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_100011215978 [0,2,0,0,0,0|1,0,1]=4 4578 B15R0.197 CCCCCCC(C)SC(C)C(=O)OCC 62a_100011215978_100011216346 [0,2,0,0,0,0|1,0,1]=4 4579 B15R0.197 CCCCCCC(C)SC(C)C(=O)OCC 62a_100011216346_100011215978 [0,2,0,0,0,0|1,0,1]=4 4580 B15R0.197 CCCCCCC(C)SC(F)C(=O)OCC 62a_100000760018_100011215978 [0,2,0,0,0,0|1,0,1]=4 4581 B15R0.197 CCCCCCC(C)SC(F)C(=O)OCC 62a_100011215978_100000760018 [0,2,0,0,0,0|1,0,1]=4 4582 B15R0.197 CCCCCCN(C)CC(=O)C(=O)OCC 269982a_106256046315_100000211299 [0,2,0,0,0,0|1,0,1]=4 4583 B15R0.310 C=C(COCCCCC(C)C)C(=O)OCC 34a_100011214890_100000755967 [0,2,0,0,0,0|1,0,1]=4 4584 B15R0.310 C=C(COCCCCC(C)C)C(=O)OCC 7a_100011214890_100000755967 [0,2,0,0,0,0|1,0,1]=4 4585 B15R0.310 C=C(CSCCCCC(C)C)C(=O)OCC 62a_100000755967_100011216152 [0,2,0,0,0,0|1,0,1]=4 4586 B15R0.310 C=C(CSCCCCC(C)C)C(=O)OCC 62a_100011216152_100000755967 [0,2,0,0,0,0|1,0,1]=4 4587 B15R0.310 CCNC(=O)C(=O)NCCCCCC(C)C 1626a_100011290863_200011297158 [0,2,0,0,0,0|2,0,0]=4 4588 B15R0.310 CCNC(=O)C(=O)NCCCCCC(C)C 240690a_100011290863_200011297158 [0,2,0,0,0,0|2,0,0]=4 4589 B15R0.310 CCNC(=O)C(=O)NCCCCCC(C)C 527a_100011290863_200011297158 [0,2,0,0,0,0|2,0,0]=4 4590 B15R0.310 CCOC(=O)C(=O)CCCCCNC(C)C 2230a_100138425928_100000068741 [0,2,0,0,0,0|1,0,1]=4 4591 B15R0.310 CCOC(=O)C(=O)CCCCCSC(C)C 62a_100000210206_100000068741 [0,2,0,0,0,0|1,0,1]=4 4592 B15R0.310 CCOC(=O)C(=O)CSCCCCC(C)C 62a_100000211299_100011216152 [0,2,0,0,0,0|1,0,1]=4 4593 B15R0.310 CCOC(=O)C(=O)CSCCCCC(C)C 62a_100011216152_100000211299 [0,2,0,0,0,0|1,0,1]=4 4594 B15R0.310 CCOC(=O)C(=O)NCCCCCC(C)C 1626a_100011290863_100014798877 [0,2,0,0,0,0|1,0,0]=3 4595 B15R0.310 CCOC(=O)C(=O)NCCCCCC(C)C 240690a_100011290863_100014798877 [0,2,0,0,0,0|1,0,0]=3 4596 B15R0.310 CCOC(=O)C(=O)NCCCCCN(C)C 240690a_100020635752_100014798877 [0,2,0,0,0,0|2,0,0]=4 4597 B15R0.310 CCOC(=O)C(=O)NCCCOCC(C)C 11a_100000205972_100014798877 [0,2,0,0,0,0|2,0,0]=4 4598 B15R0.310 CCOC(=O)C(=O)NCCCOCC(C)C 1626a_100000205972_100014798877 [0,2,0,0,0,0|2,0,0]=4 4599 B15R0.310 CCOC(=O)C(=O)NCCCOCC(C)C 240690a_100000205972_100014798877 [0,2,0,0,0,0|2,0,0]=4 4600 B15R0.310 CCOC(=O)C(C)NCCCCCC(C)C 2230a_100011290863_100011215307 [0,2,0,0,0,0|1,0,1]=4 4601 B15R0.310 CCOC(=O)C(C)NCCCCCC(C)C 34a_100011290863_100011216346 [0,2,0,0,0,0|1,0,1]=4 4602 B15R0.310 CCOC(=O)C(C)OCCCCCC(C)C 34a_100011995859_100011216346 [0,2,0,0,0,0|1,0,1]=4 4603 B15R0.310 CCOC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100011216346 [0,2,0,0,0,0|1,0,1]=4 4604 B15R0.310 CCOC(=O)C(C)SCCCCCC(C)C 62a_100000210682_100011216346 [0,2,0,0,0,0|1,0,1]=4 4605 B15R0.310 CCOC(=O)C(C)SCCCCCC(C)C 62a_100011216346_100000210682 [0,2,0,0,0,0|1,0,1]=4 4606 B15R0.310 CCOC(=O)C(F)NCCCCCC(C)C 2230a_100011290863_100000760018 [0,2,0,0,0,0|1,0,1]=4 4607 B15R0.310 CCOC(=O)C(F)NCCCCCC(C)C 34a_100011290863_100000760018 [0,2,0,0,0,0|1,0,1]=4 4608 B15R0.310 CCOC(=O)C(F)OCCCCCC(C)C 34a_100011995859_100000760018 [0,2,0,0,0,0|1,0,1]=4 4609 B15R0.310 CCOC(=O)C(F)OCCCCCC(C)C 7a_100011995859_100000040065 [0,2,0,0,0,0|1,0,1]=4 4610 B15R0.310 CCOC(=O)C(F)SCCCCCC(C)C 62a_100000210682_100000760018 [0,2,0,0,0,0|1,0,1]=4 4611 B15R0.310 CCOC(=O)C(F)SCCCCCC(C)C 62a_100000760018_100000210682 [0,2,0,0,0,0|1,0,1]=4 4612 B15R0.310 CCOC(=O)[C@H](C)OCCCCCC(C)C 7a_100000751109_100000210682 [0,2,0,0,0,0|1,0,1]=4 4613 B15R0.1995 CCCCCCCNC(CC)C(=O)OCC 2230a_100000229938_100000212269 [0,2,0,0,0,0|1,0,1]=4 4614 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 34a_100000210272_100000212269 [0,2,0,0,0,0|1,0,1]=4 4615 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 34a_100011216719_100000210614 [0,2,0,0,0,0|1,0,1]=4 4616 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 7a_100000210272_100000212269 [0,2,0,0,0,0|1,0,1]=4 4617 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210614 [0,2,0,0,0,0|1,0,1]=4 4618 B15R0.1995 CCCCCCCOC(SC)C(=O)OCC 34a_100000210272_100009893047 [0,2,0,0,0,0|1,0,1]=4 4619 B15R0.1995 CCCCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210316 [0,2,0,0,0,0|1,0,1]=4 4620 B15R0.1995 CCCCCCCSC(C=O)C(=O)OCC 62a_100000210614_100000053139 [0,2,0,0,0,0|1,0,1]=4 4621 B15R0.1995 CCCCCCCSC(CC)C(=O)OCC 62a_100000210614_100000212269 [0,2,0,0,0,0|1,0,1]=4 4622 B15R0.1995 CCCCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210316 [0,2,0,0,0,0|1,0,1]=4 4623 B15R0.1995 CCCCCCCSC(SC)C(=O)OCC 62a_100000210614_100009893047 [0,2,0,0,0,0|1,0,1]=4 4624 B15R0.1995 CCCCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210316 [0,2,0,0,0,0|1,0,1]=4 4625 B15R0.2406 CCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210759 [0,2,0,0,0,0|1,0,1]=4 4626 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 11a_100000207567_100000211967 [0,2,0,0,0,0|1,0,1]=4 4627 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 1626a_100000207567_100000211967 [0,2,0,0,0,0|1,0,1]=4 4628 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 240690a_100000207567_100000211967 [0,2,0,0,0,0|1,0,1]=4 4629 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 527a_100000207567_100000211967 [0,2,0,0,0,0|1,0,1]=4 4630 B15R0.2406 CCCCCCCNC(=O)C(=O)NCCC 1626a_100000229938_200011297150 [0,2,0,0,0,0|2,0,0]=4 4631 B15R0.2406 CCCCCCCNC(=O)C(=O)NCCC 240690a_100000229938_200011297150 [0,2,0,0,0,0|2,0,0]=4 4632 B15R0.2406 CCCCCCCNC(=O)C(=O)NCCC 527a_100000229938_200011297150 [0,2,0,0,0,0|2,0,0]=4 4633 B15R0.2406 CCCCCCCNC(C)C(=O)OCCC 2230a_100000229938_100000760410 [0,2,0,0,0,0|1,0,1]=4 4634 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000037348_100000210614 [0,2,0,0,0,0|1,0,1]=4 4635 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000210272_100000760410 [0,2,0,0,0,0|1,0,1]=4 4636 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210614 [0,2,0,0,0,0|1,0,1]=4 4637 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000210272_100000760410 [0,2,0,0,0,0|1,0,1]=4 4638 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000210614_100000760410 [0,2,0,0,0,0|1,0,1]=4 4639 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210316 [0,2,0,0,0,0|1,0,1]=4 4640 B15R0.3222 C#CCN(C)C(=O)C=CCCCCCCC 11a_100000225692_200015332781 [0,2,0,0,0,0|1,0,1]=4 4641 B15R0.3222 C#CCN(C)C(=O)C=CCCCCCCC 1626a_100000225692_200015332781 [0,2,0,0,0,0|1,0,1]=4 4642 B15R0.3222 C=C(CNCCCCCCO)C(=O)OCC 34a_100000686447_100000755967 [0,2,0,0,0,0|1,0,1]=4 4643 B15R0.3222 C=C(CNCCCCCOC)C(=O)OCC 34a_100000747528_100000755967 [0,2,0,0,0,0|1,0,1]=4 4644 B15R0.3222 C=C(CNCCCOCCC)C(=O)OCC 34a_100011217757_100000755967 [0,2,0,0,0,0|1,0,1]=4 4645 B15R0.3222 C=C(COCCCCCCBr)C(=O)OCC 34a_100011215345_100000755967 [0,2,0,0,0,0|1,0,1]=4 4646 B15R0.3222 C=C(COCCCCCCBr)C(=O)OCC 7a_100011215345_100000755967 [0,2,0,0,0,0|1,0,1]=4 4647 B15R0.3222 C=C(COCCCCCCC)C(=O)OCC 34a_100000210272_100000755967 [0,2,0,0,0,0|0,0,1]=3 4648 B15R0.3222 C=C(COCCCCCCC)C(=O)OCC 7a_100000210272_100000755967 [0,2,0,0,0,0|0,0,1]=3 4649 B15R0.3222 C=C(COCCCCCCCl)C(=O)OCC 34a_100000766143_100000755967 [0,2,0,0,0,0|1,0,1]=4 4650 B15R0.3222 C=C(COCCCCCCCl)C(=O)OCC 7a_100000766143_100000755967 [0,2,0,0,0,0|1,0,1]=4 4651 B15R0.3222 C=C(COCCCCCCF)C(=O)OCC 34a_100000732779_100000755967 [0,2,0,0,0,0|1,0,1]=4 4652 B15R0.3222 C=C(COCCCCCCF)C(=O)OCC 7a_100000732779_100000755967 [0,2,0,0,0,0|1,0,1]=4 4653 B15R0.3222 C=C(COCCCCCCN)C(=O)OCC 34a_100000686447_100000755967 [0,2,0,0,0,0|1,0,1]=4 4654 B15R0.3222 C=C(COCCCCCNC)C(=O)OCC 34a_100000722520_100000755967 [0,2,0,0,0,0|1,0,1]=4 4655 B15R0.3222 C=C(COCCOCCCC)C(=O)OCC 34a_100000210238_100000755967 [0,2,0,0,0,0|1,0,1]=4 4656 B15R0.3222 C=C(COCCOCCCC)C(=O)OCC 7a_100000210238_100000755967 [0,2,0,0,0,0|1,0,1]=4 4657 B15R0.3222 C=C(COCCSCCCC)C(=O)OCC 34a_200000230436_100000755967 [0,2,0,0,0,0|1,0,1]=4 4658 B15R0.3222 C=C(COCCSCCCC)C(=O)OCC 7a_200000230436_100000755967 [0,2,0,0,0,0|1,0,1]=4 4659 B15R0.3222 C=C(CSCCCCCCC)C(=O)OCC 62a_100000210614_100000755967 [0,2,0,0,0,0|0,0,1]=3 4660 B15R0.3222 C=C(CSCCCCCCC)C(=O)OCC 62a_100000755967_100000210316 [0,2,0,0,0,0|0,0,1]=3 4661 B15R0.3222 C=C(CSCCCCCCF)C(=O)OCC 62a_100000755967_100015922095 [0,2,0,0,0,0|1,0,1]=4 4662 B15R0.3222 C=C(CSCCCCCCF)C(=O)OCC 62a_100015922095_100000755967 [0,2,0,0,0,0|1,0,1]=4 4663 B15R0.3222 C=C(CSCCCCCCO)C(=O)OCC 62a_100000755967_100000766143 [0,2,0,0,0,0|1,0,1]=4 4664 B15R0.3222 C=C(CSCCCCCCO)C(=O)OCC 62a_100000766143_100000755967 [0,2,0,0,0,0|1,0,1]=4 4665 B15R0.3222 C=C(CSCCOCCCC)C(=O)OCC 62a_100000743108_100000755967 [0,2,0,0,0,0|1,0,1]=4 4666 B15R0.3222 C=C(CSCCOCCCC)C(=O)OCC 62a_100000755967_100000743108 [0,2,0,0,0,0|1,0,1]=4 4667 B15R0.3222 C=CCN(C)C(=O)C=CCCCCCCC 11a_100000225617_200015332781 [0,2,0,0,0,0|1,0,1]=4 4668 B15R0.3222 C=CCN(C)C(=O)C=CCCCCCCC 1626a_100000225617_200015332781 [0,2,0,0,0,0|1,0,1]=4 4669 B15R0.3222 C=CCN(C)C(=O)C=CCCCCCCC 240690a_100000225617_200015332781 [0,2,0,0,0,0|1,0,1]=4 4670 B15R0.3222 CCCCCCCC=CC(=O)C(C)CC#N 1458a_200015332781_100009813641 [0,2,0,0,0,0|1,0,1]=4 4671 B15R0.3222 CCCCCCCC=CC(=O)C(C)CCC 1458a_200015332781_100000766640 [0,2,0,0,0,0|1,0,0]=3 4672 B15R0.3222 CCCCCCCC=CC(=O)C(C)CCO 1458a_200015332781_100009893172 [0,2,0,0,0,0|1,0,0]=3 4673 B15R0.3222 CCCCCCCC=CC(=O)C(C)COC 1458a_200015332781_100000765312 [0,2,0,0,0,0|1,0,0]=3 4674 B15R0.3222 CCCCCCCC=CC(=O)N(C)CC#N 11a_100000748184_200015332781 [0,2,0,0,0,0|1,0,1]=4 4675 B15R0.3222 CCCCCCCC=CC(=O)N(C)CC#N 1626a_100000748184_200015332781 [0,2,0,0,0,0|1,0,1]=4 4676 B15R0.3222 CCCCCCCC=CC(=O)N(C)CCC 11a_100000747261_200015332781 [0,2,0,0,0,0|1,0,0]=3 4677 B15R0.3222 CCCCCCCC=CC(=O)N(C)CCC 1626a_100000747261_200015332781 [0,2,0,0,0,0|1,0,0]=3 4678 B15R0.3222 CCCCCCCC=CC(=O)N(C)CCC 240690a_100000747261_200015332781 [0,2,0,0,0,0|1,0,0]=3 4679 B15R0.3222 CCCCCCCC=CC(=O)N(C)CCO 240690a_100000210263_200015332781 [0,2,0,0,0,0|1,0,0]=3 4680 B15R0.3222 CCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210670 [0,2,0,0,0,0|1,0,1]=4 4681 B15R0.3222 CCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210670 [0,2,0,0,0,0|0,0,2]=4 4682 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 1626a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 4683 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 240690a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 4684 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 527a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 4685 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 11a_100000229939_100014798877 [0,2,0,0,0,0|0,0,1]=3 4686 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 1626a_100000229939_100014798877 [0,2,0,0,0,0|0,0,1]=3 4687 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 240690a_100000229939_100014798877 [0,2,0,0,0,0|0,0,1]=3 4688 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 11a_100000229939_100000739345 [0,2,0,0,0,0|1,0,1]=4 4689 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 1626a_100000229939_100000739345 [0,2,0,0,0,0|1,0,1]=4 4690 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 240690a_100000229939_100000739345 [0,2,0,0,0,0|1,0,1]=4 4691 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 527a_100000229939_100000739345 [0,2,0,0,0,0|1,0,1]=4 4692 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 2230a_100000229939_100011215307 [0,2,0,0,0,0|0,0,2]=4 4693 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 34a_100000229939_100011216346 [0,2,0,0,0,0|0,0,2]=4 4694 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 2230a_100000229939_100000760018 [0,2,0,0,0,0|0,0,2]=4 4695 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 34a_100000229939_100000760018 [0,2,0,0,0,0|0,0,2]=4 4696 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 34a_100000210232_100011216346 [0,2,0,0,0,0|0,0,2]=4 4697 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 7a_100000210232_100011216346 [0,2,0,0,0,0|0,0,2]=4 4698 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 34a_100000210232_100000760018 [0,2,0,0,0,0|0,0,2]=4 4699 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 7a_100000210232_100000040065 [0,2,0,0,0,0|0,0,2]=4 4700 B15R0.3222 CCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210759 [0,2,0,0,0,0|0,0,2]=4 4701 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100000210759_100011216346 [0,2,0,0,0,0|0,0,2]=4 4702 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210317 [0,2,0,0,0,0|0,0,2]=4 4703 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000210759_100000760018 [0,2,0,0,0,0|0,0,2]=4 4704 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210317 [0,2,0,0,0,0|0,0,2]=4 4705 B15R0.3222 CCCCCCCSCC(=O)C(=O)OCC 62a_100000210614_100000211299 [0,2,0,0,0,0|0,0,1]=3 4706 B15R0.3222 CCCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210316 [0,2,0,0,0,0|0,0,1]=3 4707 B15R0.3222 CCCCCNCCOC(C)C(=O)OCC 34a_100000224656_100011216346 [0,2,0,0,0,0|1,0,1]=4 4708 B15R0.3222 CCCCCNCCOC(F)C(=O)OCC 34a_100000224656_100000760018 [0,2,0,0,0,0|1,0,1]=4 4709 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 34a_100011215259_100011216346 [0,2,0,0,0,0|1,0,1]=4 4710 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 7a_100011215259_100011216346 [0,2,0,0,0,0|1,0,1]=4 4711 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 34a_100011215259_100000760018 [0,2,0,0,0,0|1,0,1]=4 4712 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 7a_100011215259_100000040065 [0,2,0,0,0,0|1,0,1]=4 4713 B15R0.3222 CCCCOCCCNC(=O)C(=O)NCC 1626a_200000211371_200011297158 [0,2,0,0,0,0|2,0,0]=4 4714 B15R0.3222 CCCCOCCCNC(=O)C(=O)NCC 240690a_200000211371_200011297158 [0,2,0,0,0,0|2,0,0]=4 4715 B15R0.3222 CCCCOCCCNC(=O)C(=O)NCC 527a_200000211371_200011297158 [0,2,0,0,0,0|2,0,0]=4 4716 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC 1626a_200000211371_100014798877 [0,2,0,0,0,0|1,0,0]=3 4717 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC 240690a_200000211371_100014798877 [0,2,0,0,0,0|1,0,0]=3 4718 B15R0.3222 CCCCOCCCNC(C)C(=O)OCC 2230a_200000211371_100011215307 [0,2,0,0,0,0|1,0,1]=4 4719 B15R0.3222 CCCCOCCCNC(C)C(=O)OCC 34a_200000211371_100011216346 [0,2,0,0,0,0|1,0,1]=4 4720 B15R0.3222 CCCCOCCCNC(F)C(=O)OCC 2230a_200000211371_100000760018 [0,2,0,0,0,0|1,0,1]=4 4721 B15R0.3222 CCCCOCCCNC(F)C(=O)OCC 34a_200000211371_100000760018 [0,2,0,0,0,0|1,0,1]=4 4722 B15R0.3222 CCCCOCCCOC(C)C(=O)OCC 34a_200011215613_100011216346 [0,2,0,0,0,0|1,0,1]=4 4723 B15R0.3222 CCCCOCCCOC(C)C(=O)OCC 7a_200011215613_100011216346 [0,2,0,0,0,0|1,0,1]=4 4724 B15R0.3222 CCCCOCCCOC(F)C(=O)OCC 34a_200011215613_100000760018 [0,2,0,0,0,0|1,0,1]=4 4725 B15R0.3222 CCCCOCCCOC(F)C(=O)OCC 7a_200011215613_100000040065 [0,2,0,0,0,0|1,0,1]=4 4726 B15R0.3222 CCCCOCCSCC(=O)C(=O)OCC 62a_100000211299_100000743108 [0,2,0,0,0,0|1,0,1]=4 4727 B15R0.3222 CCCCOCCSCC(=O)C(=O)OCC 62a_100000743108_100000211299 [0,2,0,0,0,0|1,0,1]=4 4728 B15R0.3222 CCCSCCCCCC(=O)C(=O)OCC 62a_100000210303_100000068741 [0,2,0,0,0,0|0,0,1]=3 4729 B15R0.3222 CCNC(=O)C(=O)CCCCCCCCO 1458a_200011297158_100000033203 [0,2,0,0,0,0|1,0,1]=4 4730 B15R0.3222 CCNC(=O)C(=O)NCCCCCCCO 240690a_100011996573_200011297158 [0,2,0,0,0,0|2,0,0]=4 4731 B15R0.3222 CCOC(=O)C(=O)CCCCCNCCO 2230a_100016997473_100000068741 [0,2,0,0,0,0|1,0,1]=4 4732 B15R0.3222 CCOC(=O)C(=O)CCCCCSCCF 62a_100011217306_100000068741 [0,2,0,0,0,0|1,0,1]=4 4733 B15R0.3222 CCOC(=O)C(=O)CCCCCSCCO 62a_100000211926_100000068741 [0,2,0,0,0,0|1,0,1]=4 4734 B15R0.3222 CCOC(=O)C(=O)CCCCCSCOC 62a_100000766300_100000068741 [0,2,0,0,0,0|1,0,1]=4 4735 B15R0.3222 CCOC(=O)C(=O)CCCCCSCSC 62a_100011218213_100000068741 [0,2,0,0,0,0|1,0,1]=4 4736 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCF 62a_100000211299_100015922095 [0,2,0,0,0,0|1,0,1]=4 4737 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCF 62a_100015922095_100000211299 [0,2,0,0,0,0|1,0,1]=4 4738 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCO 62a_100000211299_100000766143 [0,2,0,0,0,0|1,0,1]=4 4739 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCO 62a_100000766143_100000211299 [0,2,0,0,0,0|1,0,1]=4 4740 B15R0.3222 CCOC(=O)C(=O)NCCCCCCCO 240690a_100011996573_100014798877 [0,2,0,0,0,0|1,0,0]=3 4741 B15R0.3222 CCOC(=O)C(=O)NCCCOCCCO 240690a_100011310245_100014798877 [0,2,0,0,0,0|2,0,0]=4 4742 B15R0.3222 CCOC(=O)C(=O)NCCCOCCOC 1626a_100000206027_100014798877 [0,2,0,0,0,0|2,0,0]=4 4743 B15R0.3222 CCOC(=O)C(=O)NCCCOCCOC 240690a_100000206027_100014798877 [0,2,0,0,0,0|2,0,0]=4 4744 B15R0.3222 CCOC(=O)C(C)NCCCCCCCO 2230a_100011996573_100011215307 [0,2,0,0,0,0|1,0,1]=4 4745 B15R0.3222 CCOC(=O)C(C)NCCCCCCCO 34a_100011996573_100011216346 [0,2,0,0,0,0|1,0,1]=4 4746 B15R0.3222 CCOC(=O)C(C)OCCCCCCCBr 34a_100000760002_100011216346 [0,2,0,0,0,0|1,0,1]=4 4747 B15R0.3222 CCOC(=O)C(C)OCCCCCCCBr 7a_100000760002_100011216346 [0,2,0,0,0,0|1,0,1]=4 4748 B15R0.3222 CCOC(=O)C(C)OCCCCCCCN 34a_100011996573_100011216346 [0,2,0,0,0,0|1,0,1]=4 4749 B15R0.3222 CCOC(=O)C(C)OCCCCCCOC 34a_200012092642_100011216346 [0,2,0,0,0,0|1,0,1]=4 4750 B15R0.3222 CCOC(=O)C(C)OCCCCCCOC 7a_200012092642_100011216346 [0,2,0,0,0,0|1,0,1]=4 4751 B15R0.3222 CCOC(=O)C(C)SCCCCCCCO 62a_100000760002_100011216346 [0,2,0,0,0,0|1,0,1]=4 4752 B15R0.3222 CCOC(=O)C(C)SCCCCCCCO 62a_100011216346_100000760002 [0,2,0,0,0,0|1,0,1]=4 4753 B15R0.3222 CCOC(=O)C(C)SCCCCCCOC 62a_100011216346_100011998445 [0,2,0,0,0,0|1,0,1]=4 4754 B15R0.3222 CCOC(=O)C(C)SCCCCCCOC 62a_100011998445_100011216346 [0,2,0,0,0,0|1,0,1]=4 4755 B15R0.3222 CCOC(=O)C(F)NCCCCCCCO 2230a_100011996573_100000760018 [0,2,0,0,0,0|1,0,1]=4 4756 B15R0.3222 CCOC(=O)C(F)NCCCCCCCO 34a_100011996573_100000760018 [0,2,0,0,0,0|1,0,1]=4 4757 B15R0.3222 CCOC(=O)C(F)OCCCCCCCBr 34a_100000760002_100000760018 [0,2,0,0,0,0|1,0,1]=4 4758 B15R0.3222 CCOC(=O)C(F)OCCCCCCCBr 7a_100000760002_100000040065 [0,2,0,0,0,0|1,0,1]=4 4759 B15R0.3222 CCOC(=O)C(F)OCCCCCCCN 34a_100011996573_100000760018 [0,2,0,0,0,0|1,0,1]=4 4760 B15R0.3222 CCOC(=O)C(F)OCCCCCCOC 34a_200012092642_100000760018 [0,2,0,0,0,0|1,0,1]=4 4761 B15R0.3222 CCOC(=O)C(F)OCCCCCCOC 7a_200012092642_100000040065 [0,2,0,0,0,0|1,0,1]=4 4762 B15R0.3222 CCOC(=O)C(F)SCCCCCCCO 62a_100000760002_100000760018 [0,2,0,0,0,0|1,0,1]=4 4763 B15R0.3222 CCOC(=O)C(F)SCCCCCCCO 62a_100000760018_100000760002 [0,2,0,0,0,0|1,0,1]=4 4764 B15R0.3222 CCOC(=O)C(F)SCCCCCCOC 62a_100000760018_100011998445 [0,2,0,0,0,0|1,0,1]=4 4765 B15R0.3222 CCOC(=O)C(F)SCCCCCCOC 62a_100011998445_100000760018 [0,2,0,0,0,0|1,0,1]=4 4766 B15R0.3222 CCOC(=O)[C@H](C)OCCCCCCCO 7a_100000751109_100000760002 [0,2,0,0,0,0|1,0,1]=4 4767 B15R0.3222 CCOC(=O)[C@H](C)OCCCCCCOC 7a_100000751109_100011998445 [0,2,0,0,0,0|1,0,1]=4 4768 B15R0.3222 CCOCCOCCNC(=O)C(=O)OCC 11a_100102712874_100014798877 [0,2,0,0,0,0|2,0,0]=4 4769 B15R0.3222 CCOCCOCCNC(=O)C(=O)OCC 1626a_100102712874_100014798877 [0,2,0,0,0,0|2,0,0]=4 4770 B15R0.3222 CCOCCOCCNC(=O)C(=O)OCC 240690a_100102712874_100014798877 [0,2,0,0,0,0|2,0,0]=4 4771 B15R0.3245 CCCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210759 [0,2,0,0,0,0|1,0,1]=4 4772 B15R0.3245 CCCCCCCNC(=O)C(=O)NC(C)C 1626a_100000229938_100011220036 [0,2,0,0,0,0|2,0,0]=4 4773 B15R0.3245 CCCCCCCNC(=O)C(=O)NC(C)C 240690a_100000229938_100011220036 [0,2,0,0,0,0|2,0,0]=4 4774 B15R0.3245 CCCCCCCNC(=O)C(=O)NC(C)C 527a_100000229938_100011220036 [0,2,0,0,0,0|2,0,0]=4 4775 B15R0.3245 CCCCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210614 [0,2,0,0,0,0|1,0,1]=4 4776 B15R0.3245 CCCCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210614 [0,2,0,0,0,0|1,0,1]=4 4777 B15R0.3282 C=C(COC(C)CCCCC)C(=O)OCC 34a_100011215632_100000755967 [0,2,0,0,0,0|1,0,1]=4 4778 B15R0.3282 C=C(COC(C)CCCCC)C(=O)OCC 7a_100011215632_100000755967 [0,2,0,0,0,0|1,0,1]=4 4779 B15R0.3282 C=C(CSC(C)CCCCC)C(=O)OCC 62a_100000755967_200011218191 [0,2,0,0,0,0|1,0,1]=4 4780 B15R0.3282 C=C(CSC(C)CCCCC)C(=O)OCC 62a_200011218191_100000755967 [0,2,0,0,0,0|1,0,1]=4 4781 B15R0.3282 CCCCCC(C)SCC(=O)C(=O)OCC 62a_100000211299_200011218191 [0,2,0,0,0,0|1,0,1]=4 4782 B15R0.3282 CCCCCC(C)SCC(=O)C(=O)OCC 62a_200011218191_100000211299 [0,2,0,0,0,0|1,0,1]=4 4783 B15R0.4413 CCCCCCCNC(C)(C)C(=O)OCC 2230a_100000229938_100011216345 [0,2,0,0,0,0|1,0,1]=4 4784 B15R0.4413 CCCCCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210614 [0,2,0,0,0,0|1,0,1]=4 4785 B15R0.4413 CCCCCCCOC(C)(C)C(=O)OCC 7a_100000210272_100011216345 [0,2,0,0,0,0|1,0,1]=4 4786 B15R0.4413 CCCCCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210614 [0,2,0,0,0,0|1,0,1]=4 4787 B15R0.4413 CCCCCCCOC(F)(F)C(=O)OCC 34a_100000210272_100000210910 [0,2,0,0,0,0|1,0,1]=4 4788 B15R0.4413 CCCCCCCOC(F)(F)C(=O)OCC 7a_100000210272_100000210910 [0,2,0,0,0,0|1,0,1]=4 4789 B15R0.4413 CCCCCCCSC(C)(C)C(=O)OCC 62a_100000210614_100011216345 [0,2,0,0,0,0|1,0,1]=4 4790 B15R0.4413 CCCCCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210316 [0,2,0,0,0,0|1,0,1]=4 4791 B15R0.4413 CCCCCCCSC(F)(F)C(=O)OCC 62a_100000210614_100000210910 [0,2,0,0,0,0|1,0,1]=4 4792 B15R0.4413 CCCCCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210316 [0,2,0,0,0,0|1,0,1]=4 4793 B15R0.244 CCC#CCC(C)OC/C=C/C(=O)OCC 34a_200000035118_100016267167 [0,2,0,0,0,0|0,0,2]=4 4794 B15R0.244 CCC#CCC(C)OC/C=C/C(=O)OCC 7a_200000035118_100016267167 [0,2,0,0,0,0|0,0,2]=4 4795 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100000212188_100000750268 [0,2,0,0,0,0|0,0,2]=4 4796 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210326 [0,2,0,0,0,0|0,0,2]=4 4797 B15R0.244 CCCCCC(=O)CCOCC(=O)OCC 1458a_100000212188_100000088970 [0,2,0,0,0,0|1,0,1]=4 4798 B15R0.244 CCCCCC(C)NC/C=C/C(=O)OCC 2230a_100000211957_100016267167 [0,2,0,0,0,0|0,0,0]=2 4799 B15R0.244 CCCCCC(C)NCCCC(=O)OCC 2230a_100000211957_100009991533 [0,2,0,0,0,0|0,0,2]=4 4800 B15R0.244 CCCCCC(C)OC/C=C/C(=O)OCC 34a_100011215632_100016267167 [0,2,0,0,0,0|0,0,0]=2 4801 B15R0.244 CCCCCC(C)OC/C=C/C(=O)OCC 7a_100011215632_100016267167 [0,2,0,0,0,0|0,0,0]=2 4802 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 34a_100011215632_100009991533 [0,2,0,0,0,0|0,0,2]=4 4803 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100011215632_100011215271 [0,2,0,0,0,0|0,0,2]=4 4804 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011218191 [0,2,0,0,0,0|0,0,2]=4 4805 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011218191 [0,2,0,0,0,0|1,0,1]=4 4806 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 7a_100011215632_200011445536 [0,2,0,0,0,0|1,0,1]=4 4807 B15R0.244 CCCCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_200011218191 [0,2,0,0,0,0|0,0,0]=2 4808 B15R0.244 CCCCCC(C)SC/C=C/C(=O)OCC 62a_200011218191_100016267167 [0,2,0,0,0,0|0,0,0]=2 4809 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011218191 [0,2,0,0,0,0|0,0,2]=4 4810 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_200011218191_100009991533 [0,2,0,0,0,0|0,0,2]=4 4811 B15R0.244 CCCCCC(C)SCCNC(=O)OCC 62a_200011218191_200011445536 [0,2,0,0,0,0|1,0,1]=4 4812 B15R0.244 CCCCCN(C)CC=NNC(=O)OCC 269982a_100000223495_100015372823 [0,2,0,0,0,0|2,0,0]=4 4813 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 2230a_100000223495_100000750268 [0,2,0,0,0,0|0,0,2]=4 4814 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 269982a_100000223495_100000750268 [0,2,0,0,0,0|0,0,2]=4 4815 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 2230a_100000223495_100000088970 [0,2,0,0,0,0|1,0,1]=4 4816 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 269982a_100000223495_100000088970 [0,2,0,0,0,0|1,0,1]=4 4817 B15R0.244 CCOC(=O)/C=C/COC(C)CCCOC 34a_200011539412_100016267167 [0,2,0,0,0,0|1,0,0]=3 4818 B15R0.244 CCOC(=O)/C=C/COC(C)CCCOC 7a_200011539412_100016267167 [0,2,0,0,0,0|1,0,0]=3 4819 B15R0.355 C#CC(CCCC)OC/C=C/C(=O)OCC 34a_200011217967_100016267167 [0,2,0,0,0,0|1,0,0]=3 4820 B15R0.355 C#CC(CCCC)OC/C=C/C(=O)OCC 7a_200011217967_100016267167 [0,2,0,0,0,0|1,0,0]=3 4821 B15R0.355 C=CC(CCCC)OC/C=C/C(=O)OCC 34a_200011215037_100016267167 [0,2,0,0,0,0|1,0,0]=3 4822 B15R0.355 C=CC(CCCC)OC/C=C/C(=O)OCC 7a_200011215037_100016267167 [0,2,0,0,0,0|1,0,0]=3 4823 B15R0.355 CCCCC(CC)OC/C=C/C(=O)OCC 34a_100011215227_100016267167 [0,2,0,0,0,0|1,0,0]=3 4824 B15R0.355 CCCCC(CC)OC/C=C/C(=O)OCC 7a_100011215227_100016267167 [0,2,0,0,0,0|1,0,0]=3 4825 B15R0.355 CCCCC(CC)SC/C=C/C(=O)OCC 62a_100016267167_200011216223 [0,2,0,0,0,0|1,0,0]=3 4826 B15R0.355 CCCCC(CC)SC/C=C/C(=O)OCC 62a_200011216223_100016267167 [0,2,0,0,0,0|1,0,0]=3 4827 B15R0.355 CCCC[C@@H](CO)NC/C=C/C(=O)OCC 2230a_100011934283_100016267167 [0,2,0,0,0,0|1,0,0]=3 4828 B15R0.355 CCCC[C@@H](CO)NC/C=C/C(=O)OCC 34a_100011934283_100016267167 [0,2,0,0,0,0|1,0,0]=3 4829 B15R0.355 CCOC(=O)/C=C/CN[C@H](CO)CCSC 2230a_100011827619_100016267167 [0,2,0,0,0,0|2,0,0]=4 4830 B15R0.355 CCOCC(CN)OC/C=C/C(=O)OCC 34a_102515437182_100016267167 [0,2,0,0,0,0|2,0,0]=4 4831 B15R0.390 CCOC(=O)/C=C/CNC(C)CCC(C)C 2230a_100138410893_100016267167 [0,2,0,0,0,0|1,0,0]=3 4832 B15R0.390 CCOC(=O)/C=C/COC(C)CCC(C)C 34a_100011215350_100016267167 [0,2,0,0,0,0|1,0,0]=3 4833 B15R0.390 CCOC(=O)/C=C/COC(C)CCC(C)C 7a_100011215350_100016267167 [0,2,0,0,0,0|1,0,0]=3 4834 B15R0.390 CCOC(=O)/C=C/CSC(C)CCC(C)C 62a_100011261404_100016267167 [0,2,0,0,0,0|1,0,0]=3 4835 B15R0.390 CCOC(=O)/C=C/CSC(C)CCC(C)C 62a_100016267167_100011261404 [0,2,0,0,0,0|1,0,0]=3 4836 B15R0.439 CCCCC(C)NC(=O)C=CC(=O)OCC 1626a_100000126638_100000210415 [0,2,0,0,0,0|1,0,1]=4 4837 B15R0.439 CCCCC(C)NC(=O)C=CC(=O)OCC 240690a_100000126638_100000210415 [0,2,0,0,0,0|1,0,1]=4 4838 B15R0.3367 CCCCC(C)(C)OC/C=C/C(=O)OCC 7a_100011219641_100016267167 [0,2,0,0,0,0|1,0,0]=3 4839 B15R0.3367 CCOC(=O)/C=C/COC(C)(C)CCCBr 7a_100009888830_100016267167 [0,2,0,0,0,0|2,0,0]=4 4840 B15R0.321 CCCCCCCC=CC(=O)C(C)C(=O)C 1458a_200015332781_100000179758 [0,2,0,0,0,0|1,0,1]=4 4841 B15R0.321 CCCCCCCC=CC(=O)N(C)C(C)C 11a_200000211004_200015332781 [0,2,0,0,0,0|1,0,0]=3 4842 B15R0.321 CCCCCCCC=CC(=O)N(C)C(C)C 1626a_200000211004_200015332781 [0,2,0,0,0,0|1,0,0]=3 4843 B15R0.321 CCCCCCCC=CC(=O)N(C)C(C)C 240690a_200000211004_200015332781 [0,2,0,0,0,0|1,0,0]=3 4844 B15R0.324 CCCCCCCC=NNC(=O)C(C)CC 4a_100000740736_100000210592 [0,2,0,0,0,0|2,0,0]=4 4845 B15R0.324 CCCCCCCCC=CC(=O)C(C)CC 1458a_100015345288_100000758301 [0,2,0,0,0,0|1,0,0]=3 4846 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 11a_100000225621_100015345288 [0,2,0,0,0,0|1,0,0]=3 4847 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_100015345288 [0,2,0,0,0,0|1,0,0]=3 4848 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_100015345288 [0,2,0,0,0,0|1,0,0]=3 4849 B15R0.324 CCN(C)C(=O)C=CCCCCCCCO 1626a_100000225621_100016988705 [0,2,0,0,0,0|1,0,0]=3 4850 B15R0.324 CCN(C)C(=O)C=CCCCCCCCO 240690a_100000225621_100016988705 [0,2,0,0,0,0|1,0,0]=3 4851 B15R0.3224 CCCCCCCC=CC(=O)C(CC)CC 1458a_200015332781_100000210505 [0,2,0,0,0,0|1,0,0]=3 4852 B15R0.3224 CCCCCCCC=CC(=O)N(CC)CC 11a_100000724800_200015332781 [0,2,0,0,0,0|1,0,0]=3 4853 B15R0.3224 CCCCCCCC=CC(=O)N(CC)CC 1626a_100000724800_200015332781 [0,2,0,0,0,0|1,0,0]=3 4854 B15R0.3224 CCCCCCCC=CC(=O)N(CC)CC 240690a_100000724800_200015332781 [0,2,0,0,0,0|1,0,0]=3 4855 B15R0.136 C#CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100012094781 [0,2,0,0,0,0|0,0,2]=4 4856 B15R0.136 C=CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000700193 [0,2,0,0,0,0|0,0,2]=4 4857 B15R0.136 CCCCCCCC(=NNC(=O)CCC)C 4a_100000189770_100000210596 [0,2,0,0,0,0|2,0,0]=4 4858 B15R0.136 CCCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210614 [0,2,0,0,0,0|0,0,0]=2 4859 B15R0.136 CCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210614 [0,2,0,0,0,0|1,0,1]=4 4860 B15R0.136 CCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210614 [0,2,0,0,0,0|0,0,1]=3 4861 B15R0.136 CCCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210614 [0,2,0,0,0,0|0,0,1]=3 4862 B15R0.136 CCCCCCCC(=O)COC(=O)CCC 1458a_100000211969_100000034017 [0,2,0,0,0,0|1,0,1]=4 4863 B15R0.136 CCCCCCCC(=O)NCC(=O)CCC 1458a_100000691742_100000210303 [0,2,0,0,0,0|1,0,1]=4 4864 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 11a_100015525214_100000691742 [0,2,0,0,0,0|1,0,1]=4 4865 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 4866 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 4867 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 240690a_100015525214_100000691742 [0,2,0,0,0,0|1,0,1]=4 4868 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 4869 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 527a_100015525214_100000691742 [0,2,0,0,0,0|1,0,1]=4 4870 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 4871 B15R0.136 CCCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211969 [0,2,0,0,0,0|0,0,1]=3 4872 B15R0.136 CCCCCCCC(=O)NNC(=O)CCC 22a_100000181853_100000211992 [0,2,0,0,0,0|2,0,0]=4 4873 B15R0.136 CCCCCCCC(=O)NNC(=O)CCC 22a_100000189770_100000211969 [0,2,0,0,0,0|2,0,0]=4 4874 B15R0.136 CCCCCCCC(=O)NNC(=O)NCC 273464a_100015525214_100000181853 [0,2,0,0,0,0|2,0,0]=4 4875 B15R0.136 CCCCCCCC(=O)NNC(=O)NCC 512a_100000181853_100015525214 [0,2,0,0,0,0|2,0,0]=4 4876 B15R0.136 CCCCCCCC(=O)NNC(=O)NCC 512a_100015525214_100000181853 [0,2,0,0,0,0|2,0,0]=4 4877 B15R0.136 CCCCCCCC(=O)OCC(=O)CCC 1458a_100000211992_100009852258 [0,2,0,0,0,0|1,0,1]=4 4878 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 34a_200011215852_100000188475 [0,2,0,0,0,0|0,0,2]=4 4879 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 7a_200011215852_100000188475 [0,2,0,0,0,0|0,0,2]=4 4880 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218727 [0,2,0,0,0,0|0,0,2]=4 4881 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_200011218727_100000188475 [0,2,0,0,0,0|0,0,2]=4 4882 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000228206_100011206558 [0,2,0,0,0,0|0,0,2]=4 4883 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210681 [0,2,0,0,0,0|0,0,2]=4 4884 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000228206_100011206558 [0,2,0,0,0,0|0,0,2]=4 4885 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210681 [0,2,0,0,0,0|0,0,2]=4 4886 B15R0.136 CCCCCCNC(=O)C=CC(=O)OCC 1626a_100000210581_100000210415 [0,2,0,0,0,0|0,0,1]=3 4887 B15R0.136 CCCCCCNC(=O)C=CC(=O)OCC 240690a_100000210581_100000210415 [0,2,0,0,0,0|0,0,1]=3 4888 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 11a_100000210581_100000183558 [0,2,0,0,0,0|1,0,1]=4 4889 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 1626a_100000210581_100000183558 [0,2,0,0,0,0|1,0,1]=4 4890 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 240690a_100000210581_100000183558 [0,2,0,0,0,0|1,0,1]=4 4891 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 11a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4892 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 1626a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4893 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 240690a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4894 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 527a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 4895 B15R0.136 CCCCCCNC(C)CCC(=O)OCC 2230a_100000210581_100000748298 [0,2,0,0,0,0|0,0,2]=4 4896 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 34a_100000210259_100000748298 [0,2,0,0,0,0|0,0,2]=4 4897 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 7a_100000210259_100000748298 [0,2,0,0,0,0|0,0,2]=4 4898 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000210314_100000748298 [0,2,0,0,0,0|0,0,2]=4 4899 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210757 [0,2,0,0,0,0|0,0,2]=4 4900 B15R0.136 CCCCCNCC(=O)NCC(=O)OCC 2230a_100000209983_100011215850 [0,2,0,0,0,0|1,0,1]=4 4901 B15R0.136 CCCCCNN=C(C)C=CC(=O)OCC 4a_100000694160_200016282221 [0,2,0,0,0,0|1,0,1]=4 4902 B15R0.136 CCCCCOCC(=O)NCC(=O)OCC 34a_100000210253_100011215850 [0,2,0,0,0,0|1,0,1]=4 4903 B15R0.136 CCCCCOCC(=O)NCC(=O)OCC 7a_100000210253_100011215850 [0,2,0,0,0,0|1,0,1]=4 4904 B15R0.136 CCCCCSCC(=O)NCC(=O)OCC 62a_100000210326_100011215850 [0,2,0,0,0,0|1,0,1]=4 4905 B15R0.136 CCCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210326 [0,2,0,0,0,0|1,0,1]=4 4906 B15R0.136 CCCCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000743108 [0,2,0,0,0,0|0,0,1]=3 4907 B15R0.136 CCCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100000743108 [0,2,0,0,0,0|1,0,1]=4 4908 B15R0.136 CCCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100000743108 [0,2,0,0,0,0|1,0,1]=4 4909 B15R0.136 CCCOCCNC(=O)C=CC(=O)OCC 1626a_100161115042_100000210415 [0,2,0,0,0,0|1,0,1]=4 4910 B15R0.136 CCCOCCNC(=O)C=CC(=O)OCC 240690a_100161115042_100000210415 [0,2,0,0,0,0|1,0,1]=4 4911 B15R0.136 CCCSCCNC(=O)C=CC(=O)OCC 240690a_100020603323_100000210415 [0,2,0,0,0,0|1,0,1]=4 4912 B15R0.136 CCOC(=O)C=CC(=O)CCCCCC#N 1458a_100000210415_100009813376 [0,2,0,0,0,0|0,0,2]=4 4913 B15R0.136 CCOC(=O)C=CC(=O)CCCCCCF 1458a_100000210415_100015922095 [0,2,0,0,0,0|0,0,1]=3 4914 B15R0.136 CCOC(=O)C=CC(=O)CCCCCCO 1458a_100000210415_100000766143 [0,2,0,0,0,0|0,0,1]=3 4915 B15R0.136 CCOC(=O)C=CC(=O)CCOCCOC 1458a_100000210415_100000695917 [0,2,0,0,0,0|1,0,1]=4 4916 B15R0.136 CCOC(=O)C=CC(=O)NCCCCCO 240690a_100000762737_100000210415 [0,2,0,0,0,0|1,0,1]=4 4917 B15R0.136 CCOC(=O)CCC(=O)CCCCCCF 1458a_100000183558_100015922095 [0,2,0,0,0,0|1,0,1]=4 4918 B15R0.136 CCOC(=O)CCC(=O)CCCCCCO 1458a_100000183558_100000766143 [0,2,0,0,0,0|1,0,1]=4 4919 B15R0.136 CCOC(=O)CNC(=O)CCCCCCO 188690a_100000741813_100011996774 [0,2,0,0,0,0|1,0,1]=4 4920 B15R0.136 CCOC(=O)CNC(=O)CCCCCOC 188690a_100000741813_100011935119 [0,2,0,0,0,0|1,0,1]=4 4921 B15R0.136 CCOC(=O)NCC(=O)CCCCCCF 1458a_100000190774_100015922095 [0,2,0,0,0,0|1,0,1]=4 4922 B15R0.136 CCOC(=O)NCC(=O)CCCCCCO 1458a_100000190774_100000766143 [0,2,0,0,0,0|1,0,1]=4 4923 B15R0.136 CCOCCCNC(=O)C=CC(=O)OCC 1626a_100000210961_100000210415 [0,2,0,0,0,0|1,0,1]=4 4924 B15R0.136 CCOCCCNC(=O)C=CC(=O)OCC 240690a_100000210961_100000210415 [0,2,0,0,0,0|1,0,1]=4 4925 B15R0.187 CCCCCCC(C)NCC(=O)OC(C)C 2230a_100000210919_100011215430 [0,2,0,0,0,0|1,0,1]=4 4926 B15R0.187 CCCCCCC(C)NCC(=O)OC(C)C 34a_100000210919_100011215430 [0,2,0,0,0,0|1,0,1]=4 4927 B15R0.187 CCCCCCC(C)OCC(=O)OC(C)C 34a_100000210265_100011215430 [0,2,0,0,0,0|1,0,1]=4 4928 B15R0.187 CCCCCCC(C)OCC(=O)OC(C)C 7a_100000210265_100011215430 [0,2,0,0,0,0|1,0,1]=4 4929 B15R0.187 CCCCCCC(C)SCC(=O)OC(C)C 62a_100011215430_100011215978 [0,2,0,0,0,0|1,0,1]=4 4930 B15R0.187 CCCCCCC(C)SCC(=O)OC(C)C 62a_100011215978_100011215430 [0,2,0,0,0,0|1,0,1]=4 4931 B15R0.187 CCCCCNC(=O)C=CC(=O)OC(C)C 1626a_100000209983_200016297642 [0,2,0,0,0,0|1,0,1]=4 4932 B15R0.1781 CCCCCCC(C)(C)OCC(=O)OCC 7a_200011995690_100000188475 [0,2,0,0,0,0|1,0,1]=4 4933 B15R0.2061 CCCCCCC(C)NCC(=O)OCCC 2230a_100000210919_200011215008 [0,2,0,0,0,0|1,0,1]=4 4934 B15R0.2061 CCCCCCC(C)NCC(=O)OCCC 34a_100000210919_200011215008 [0,2,0,0,0,0|1,0,1]=4 4935 B15R0.2061 CCCCCCC(C)OCC(=O)OCCC 34a_100000210265_200011215008 [0,2,0,0,0,0|1,0,1]=4 4936 B15R0.2061 CCCCCCC(C)OCC(=O)OCCC 7a_100000210265_200011215008 [0,2,0,0,0,0|1,0,1]=4 4937 B15R0.2061 CCCCCCC(C)SCC(=O)OCCC 62a_100011215978_200011215008 [0,2,0,0,0,0|1,0,1]=4 4938 B15R0.2061 CCCCCCC(C)SCC(=O)OCCC 62a_200011215008_100011215978 [0,2,0,0,0,0|1,0,1]=4 4939 B15R0.2140 CCCCCC(C)C(=O)C=CC(=O)OCC 1458a_100000210415_200011218191 [0,2,0,0,0,0|0,0,1]=3 4940 B15R0.2140 CCCCCN(C)C(=O)C=CC(=O)OCC 1626a_100000223495_100000210415 [0,2,0,0,0,0|1,0,1]=4 4941 B15R0.2140 CCCCCN(C)C(=O)C=CC(=O)OCC 240690a_100000223495_100000210415 [0,2,0,0,0,0|1,0,1]=4 4942 B15R0.2167 C=CC(CCCCCC)OCC(=O)OCC 34a_200011215977_100000188475 [0,2,0,0,0,0|1,0,1]=4 4943 B15R0.2167 C=CC(CCCCCC)OCC(=O)OCC 7a_200011215977_100000188475 [0,2,0,0,0,0|1,0,1]=4 4944 B15R0.2167 CCCCCCC(CC)OCC(=O)OCC 34a_100011215785_100000188475 [0,2,0,0,0,0|1,0,1]=4 4945 B15R0.2167 CCCCCCC(CC)OCC(=O)OCC 7a_100011215785_100000188475 [0,2,0,0,0,0|1,0,1]=4 4946 B15R0.4652 CCOC(=O)C=CC(=O)CCCCC(=O)C 1458a_100000210415_100000735457 [0,2,0,0,0,0|0,0,2]=4 4947 B15R0.4652 CCOC(=O)C=CC(=O)CCCCC(C)C 1458a_100000210415_100011216152 [0,2,0,0,0,0|0,0,1]=3 4948 B15R0.4652 CCOC(=O)C=CC(=O)NCCCC(C)C 1626a_200000737386_100000210415 [0,2,0,0,0,0|1,0,1]=4 4949 B15R0.4652 CCOC(=O)C=CC(=O)NCCCC(C)C 240690a_200000737386_100000210415 [0,2,0,0,0,0|1,0,1]=4 4950 B15R0.69 C=C(C)CC(=O)C=CCCCCCCCC 1458a_100015345288_100000748629 [0,2,0,0,0,0|1,0,1]=4 4951 B15R0.69 CC(C)NC(=O)C=CCCCCCCCO 1626a_100138425928_100016988705 [0,2,0,0,0,0|1,0,0]=3 4952 B15R0.69 CC(C)NC(=O)C=CCCCCCCCO 240690a_100138425928_100016988705 [0,2,0,0,0,0|1,0,0]=3 4953 B15R0.69 CC(C)OC(=O)CNCCCCCCCO 2230a_100011996573_100011215430 [0,2,0,0,0,0|1,0,1]=4 4954 B15R0.69 CC(C)OC(=O)CNCCCCCCCO 34a_100011996573_100011215430 [0,2,0,0,0,0|1,0,1]=4 4955 B15R0.69 CC(C)OC(=O)COCCCCCCCBr 34a_100000760002_100011215430 [0,2,0,0,0,0|1,0,1]=4 4956 B15R0.69 CC(C)OC(=O)COCCCCCCCBr 7a_100000760002_100011215430 [0,2,0,0,0,0|1,0,1]=4 4957 B15R0.69 CC(C)OC(=O)COCCCCCCCN 34a_100011996573_100011215430 [0,2,0,0,0,0|1,0,1]=4 4958 B15R0.69 CC(C)OC(=O)CSCCCCCCCO 62a_100000760002_100011215430 [0,2,0,0,0,0|1,0,1]=4 4959 B15R0.69 CC(C)OC(=O)CSCCCCCCCO 62a_100011215430_100000760002 [0,2,0,0,0,0|1,0,1]=4 4960 B15R0.69 CCCCCCCC=NNC(=O)CC(C)C 4a_100000189787_100000210592 [0,2,0,0,0,0|2,0,0]=4 4961 B15R0.69 CCCCCCCCC=CC(=O)CC(C)C 1458a_100015345288_100000210624 [0,2,0,0,0,0|1,0,0]=3 4962 B15R0.69 CCCCCCCCC=CC(=O)CC(C)O 1458a_100015345288_100011218427 [0,2,0,0,0,0|1,0,0]=3 4963 B15R0.69 CCCCCCCCC=CC(=O)CC(F)F 1458a_100015345288_100011934356 [0,2,0,0,0,0|2,0,0]=4 4964 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 11a_100138425928_100015345288 [0,2,0,0,0,0|1,0,0]=3 4965 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_100015345288 [0,2,0,0,0,0|1,0,0]=3 4966 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_100015345288 [0,2,0,0,0,0|1,0,0]=3 4967 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 2230a_100000229939_100011215430 [0,2,0,0,0,0|0,0,2]=4 4968 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 34a_100000229939_100011215430 [0,2,0,0,0,0|0,0,2]=4 4969 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 34a_100000210232_100011215430 [0,2,0,0,0,0|0,0,2]=4 4970 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 7a_100000210232_100011215430 [0,2,0,0,0,0|0,0,2]=4 4971 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100000210759_100011215430 [0,2,0,0,0,0|0,0,2]=4 4972 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210317 [0,2,0,0,0,0|0,0,2]=4 4973 B15R0.69 CCCCCCCNCCC(=O)OC(C)C 2230a_100000229938_100000760027 [0,2,0,0,0,0|0,0,2]=4 4974 B15R0.69 CCCCCCCOCCC(=O)OC(C)C 7a_100000210272_100000760027 [0,2,0,0,0,0|0,0,2]=4 4975 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000210614_100000760027 [0,2,0,0,0,0|0,0,2]=4 4976 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210316 [0,2,0,0,0,0|0,0,2]=4 4977 B15R0.69 CCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210316 [0,2,0,0,0,0|1,0,1]=4 4978 B15R0.69 CCCCCCCSCOC(=O)OC(C)C 62a_100000210614_100000003507 [0,2,0,0,0,0|1,0,1]=4 4979 B15R0.69 CCCCCNCCOCC(=O)OC(C)C 34a_100000224656_100011215430 [0,2,0,0,0,0|1,0,1]=4 4980 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 34a_100011215259_100011215430 [0,2,0,0,0,0|1,0,1]=4 4981 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 7a_100011215259_100011215430 [0,2,0,0,0,0|1,0,1]=4 4982 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 2230a_100000102301_200010986244 [0,2,0,0,0,0|0,0,2]=4 4983 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 7a_106832991798_200010986244 [0,2,0,0,0,0|0,0,2]=4 4984 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 34a_100000210227_200010986244 [0,2,0,0,0,0|0,0,2]=4 4985 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 7a_100000210227_200010986244 [0,2,0,0,0,0|0,0,2]=4 4986 B15R0.69 CCCCOCCCNCC(=O)OC(C)C 2230a_200000211371_100011215430 [0,2,0,0,0,0|1,0,1]=4 4987 B15R0.69 CCCCOCCCNCC(=O)OC(C)C 34a_200000211371_100011215430 [0,2,0,0,0,0|1,0,1]=4 4988 B15R0.69 CCCCOCCCOCC(=O)OC(C)C 34a_200011215613_100011215430 [0,2,0,0,0,0|1,0,1]=4 4989 B15R0.69 CCCCOCCCOCC(=O)OC(C)C 7a_200011215613_100011215430 [0,2,0,0,0,0|1,0,1]=4 4990 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_100000210211_200010986244 [0,2,0,0,0,0|0,0,2]=4 4991 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210210 [0,2,0,0,0,0|0,0,2]=4 4992 B15R0.69 COCCCCCCOCC(=O)OC(C)C 34a_200012092642_100011215430 [0,2,0,0,0,0|1,0,1]=4 4993 B15R0.69 COCCCCCCOCC(=O)OC(C)C 7a_200012092642_100011215430 [0,2,0,0,0,0|1,0,1]=4 4994 B15R0.69 COCCCCCCSCC(=O)OC(C)C 62a_100011215430_100011998445 [0,2,0,0,0,0|1,0,1]=4 4995 B15R0.69 COCCCCCCSCC(=O)OC(C)C 62a_100011998445_100011215430 [0,2,0,0,0,0|1,0,1]=4 4996 B15R0.226 CC(C)CCCCCNCC(=O)OC(C)C 2230a_100011290863_100011215430 [0,2,0,0,0,0|1,0,1]=4 4997 B15R0.226 CC(C)CCCCCNCC(=O)OC(C)C 34a_100011290863_100011215430 [0,2,0,0,0,0|1,0,1]=4 4998 B15R0.226 CC(C)CCCCCOCC(=O)OC(C)C 34a_100011995859_100011215430 [0,2,0,0,0,0|1,0,1]=4 4999 B15R0.226 CC(C)CCCCCOCC(=O)OC(C)C 7a_100011995859_100011215430 [0,2,0,0,0,0|1,0,1]=4 5000 B15R0.226 CC(C)CCCCCSCC(=O)OC(C)C 62a_100000210682_100011215430 [0,2,0,0,0,0|1,0,1]=4 5001 B15R0.226 CC(C)CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210682 [0,2,0,0,0,0|1,0,1]=4 5002 B15R0.3221 C#CC(C)NC(=O)C=CCCCCCCC 11a_100000707721_200015332781 [0,2,0,0,0,0|1,0,0]=3 5003 B15R0.3221 C#CC(C)NC(=O)C=CCCCCCCC 1626a_100000707721_200015332781 [0,2,0,0,0,0|1,0,0]=3 5004 B15R0.3221 C#CC(C)NC(=O)C=CCCCCCCC 240690a_100000707721_200015332781 [0,2,0,0,0,0|1,0,0]=3 5005 B15R0.3221 CCCCCCCC=CC(=O)CC(=O)CC 1458a_200015332781_100000747405 [0,2,0,0,0,0|1,0,0]=3 5006 B15R0.3221 CCCCCCCC=CC(=O)CC(=O)NC 1458a_200015332781_100000183359 [0,2,0,0,0,0|1,0,1]=4 5007 B15R0.3221 CCCCCCCC=CC(=O)CC(=O)OC 1458a_200015332781_100000747449 [0,2,0,0,0,0|1,0,1]=4 5008 B15R0.3221 CCCCCCCC=CC(=O)CC(C)CC 1458a_200015332781_100000748023 [0,2,0,0,0,0|1,0,0]=3 5009 B15R0.3221 CCCCCCCC=CC(=O)CC(O)CC 1458a_200015332781_100011218378 [0,2,0,0,0,0|1,0,0]=3 5010 B15R0.3221 CCCCCCCC=CC(=O)C[C@@H](C)CC 1458a_200015332781_100009816398 [0,2,0,0,0,0|1,0,0]=3 5011 B15R0.3221 CCCCCCCC=CC(=O)C[C@@H](C)CO 1458a_200015332781_100000059175 [0,2,0,0,0,0|1,0,0]=3 5012 B15R0.3221 CCCCCCCC=CC(=O)NC(C)C#N 11a_100000737613_200015332781 [0,2,0,0,0,0|1,0,0]=3 5013 B15R0.3221 CCCCCCCC=CC(=O)NC(C)C#N 1626a_100000737613_200015332781 [0,2,0,0,0,0|1,0,0]=3 5014 B15R0.3221 CCCCCCCC=CC(=O)NC(C)CC 11a_100000209981_200015332781 [0,2,0,0,0,0|1,0,0]=3 5015 B15R0.3221 CCCCCCCC=CC(=O)NC(C)CC 1626a_100000209981_200015332781 [0,2,0,0,0,0|1,0,0]=3 5016 B15R0.3221 CCCCCCCC=CC(=O)NC(C)CC 240690a_100000209981_200015332781 [0,2,0,0,0,0|1,0,0]=3 5017 B15R0.3221 CCCCCCCC=CC(=O)N[C@H](C)CF 11a_100102880703_200015332781 [0,2,0,0,0,0|1,0,0]=3 5018 B15R0.3221 CCCCCCCC=CC(=O)N[C@H](C)CF 1626a_100102880703_200015332781 [0,2,0,0,0,0|1,0,0]=3 5019 B15R0.3221 CCCCCCCC=CC(=O)N[C@H](C)CF 240690a_100102880703_200015332781 [0,2,0,0,0,0|1,0,0]=3 5020 B15R0.3221 CCCCCCCC=CC(=O)N[C@H](C)CO 240690a_100000737577_200015332781 [0,2,0,0,0,0|1,0,0]=3 5021 B15R0.3232 CCCCCCCC=CC(=O)C[Si](C)(C)C 1458a_200015332781_100000233785 [0,2,0,0,0,0|1,1,0]=4 5022 B15R0.3232 CCCCCCCC=CC(=O)NC(C)(C)C 11a_100000715429_200015332781 [0,2,0,0,0,0|1,0,0]=3 5023 B15R0.3232 CCCCCCCC=CC(=O)NC(C)(C)C 1626a_100000715429_200015332781 [0,2,0,0,0,0|1,0,0]=3 5024 B15R0.3232 CCCCCCCC=CC(=O)NC(C)(C)C 240690a_100000715429_200015332781 [0,2,0,0,0,0|1,0,0]=3 5025 B15R0.3232 CCCCCCCC=CC(=O)NS(=O)(=O)C 2740a_100000171171_200015332781 [0,2,0,0,0,0|2,0,0]=4 5026 B15R0.3232 CCCCCCCNCC(=O)OC(C)(C)C 2230a_100000229938_100000183872 [0,2,0,0,0,0|1,0,1]=4 5027 B15R0.3232 CCCCCCCOCC(=O)OC(C)(C)C 34a_100000210272_100000183872 [0,2,0,0,0,0|1,0,1]=4 5028 B15R0.3232 CCCCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210614 [0,2,0,0,0,0|1,0,1]=4 5029 B15R0.3232 CCCCCCCOCC(=O)OC(C)(C)C 7a_100000210272_100000183872 [0,2,0,0,0,0|1,0,1]=4 5030 B15R0.3232 CCCCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210316 [0,2,0,0,0,0|1,0,1]=4 5031 B15R0.3232 CCCCCCCSCC(=O)OC(C)(C)C 62a_100000210614_100000183872 [0,2,0,0,0,0|1,0,1]=4 5032 B15R0.18 C=CCCCCN(C)C/C=C/C(=O)OCC 2230a_100012000471_100016267167 [0,2,0,0,0,0|0,0,2]=4 5033 B15R0.18 C=CCCCCN(C)C/C=C/C(=O)OCC 269982a_100012000471_100016267167 [0,2,0,0,0,0|0,0,2]=4 5034 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210757 [0,2,0,0,0,0|0,0,2]=4 5035 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100102632555_100011215271 [0,2,0,0,0,0|0,0,2]=4 5036 B15R0.18 CCCCCCC(=O)CCNC(=O)OCC 1458a_100102632555_200011445536 [0,2,0,0,0,0|1,0,1]=4 5037 B15R0.18 CCCCCCC(=O)NN=CC(=O)OCC 4a_100011221127_100000742314 [0,2,0,0,0,0|1,0,1]=4 5038 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 2230a_100000210919_100011206558 [0,2,0,0,0,0|0,0,2]=4 5039 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 34a_100000210919_100000765890 [0,2,0,0,0,0|0,0,2]=4 5040 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 34a_100000210265_100000765890 [0,2,0,0,0,0|0,0,2]=4 5041 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 7a_100000210265_100011206558 [0,2,0,0,0,0|0,0,2]=4 5042 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100000765890_100011215978 [0,2,0,0,0,0|0,0,2]=4 5043 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100011215978_100000765890 [0,2,0,0,0,0|0,0,2]=4 5044 B15R0.18 CCCCCCC(C)SCOC(=O)OCC 62a_100011215978_100000075025 [0,2,0,0,0,0|1,0,1]=4 5045 B15R0.18 CCCCCCN(C)C/C=C/C(=O)OCC 2230a_106256046315_100016267167 [0,2,0,0,0,0|0,0,0]=2 5046 B15R0.18 CCCCCCN(C)C/C=C/C(=O)OCC 269982a_106256046315_100016267167 [0,2,0,0,0,0|0,0,0]=2 5047 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 2230a_106256046315_100009991533 [0,2,0,0,0,0|0,0,2]=4 5048 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 269982a_106256046315_100009991533 [0,2,0,0,0,0|0,0,2]=4 5049 B15R0.18 CCCCCCN(C)CCNC(=O)OCC 269982a_106256046315_200011445536 [0,2,0,0,0,0|1,0,1]=4 5050 B15R0.18 CCOC(=O)/C=C/CN(C)CCCCCO 2230a_100000722520_100016267167 [0,2,0,0,0,0|1,0,0]=3 5051 B15R0.18 CCOC(=O)/C=C/CN(C)CCCCCO 269982a_100000722520_100016267167 [0,2,0,0,0,0|1,0,0]=3 5052 B15R0.18 CCOC(=O)/C=C/CN(C)CCOCCO 2230a_100000228057_100016267167 [0,2,0,0,0,0|2,0,0]=4 5053 B15R0.18 CCOC(=O)/C=C/CN(C)CCOCCO 269982a_100000228057_100016267167 [0,2,0,0,0,0|2,0,0]=4 5054 B15R0.111 CCOC(=O)/C=C/CNCCCCC(=O)N 34a_100000696515_100016267167 [0,2,0,0,0,0|1,0,1]=4 5055 B15R0.111 CCOC(=O)/C=C/CNCCCNC(=O)C 34a_100000736810_100016267167 [0,2,0,0,0,0|1,0,1]=4 5056 B15R0.111 CCOC(=O)/C=C/CNCCCOC(C)C 2230a_100000737246_100016267167 [0,2,0,0,0,0|1,0,0]=3 5057 B15R0.111 CCOC(=O)/C=C/CNCCCOC(C)C 34a_100000737246_100016267167 [0,2,0,0,0,0|1,0,0]=3 5058 B15R0.111 CCOC(=O)/C=C/COCCCCC(=O)N 34a_100012022536_100016267167 [0,2,0,0,0,0|1,0,1]=4 5059 B15R0.111 CCOC(=O)/C=C/COCCCCC(=O)N 7a_100012022536_100016267167 [0,2,0,0,0,0|1,0,1]=4 5060 B15R0.111 CCOC(=O)/C=C/COCCCCC(C)C 34a_100011214890_100016267167 [0,2,0,0,0,0|0,0,0]=2 5061 B15R0.111 CCOC(=O)/C=C/COCCCCC(C)C 7a_100011214890_100016267167 [0,2,0,0,0,0|0,0,0]=2 5062 B15R0.111 CCOC(=O)/C=C/COCCCC[N+](=O)[O-] 34a_200015379883_100016267167 [0,2,0,0,0,0|2,0,0]=4 5063 B15R0.111 CCOC(=O)/C=C/COCCCC[N+](=O)[O-] 7a_200015379883_100016267167 [0,2,0,0,0,0|2,0,0]=4 5064 B15R0.111 CCOC(=O)/C=C/COCCCNC(=O)C 34a_100000752032_100016267167 [0,2,0,0,0,0|1,0,1]=4 5065 B15R0.111 CCOC(=O)/C=C/COCCCNC(C)C 34a_100000182298_100016267167 [0,2,0,0,0,0|1,0,0]=3 5066 B15R0.111 CCOC(=O)/C=C/COCCNCC(C)C 34a_100015185251_100016267167 [0,2,0,0,0,0|1,0,0]=3 5067 B15R0.111 CCOC(=O)/C=C/COCCOCC(C)C 34a_100000703358_100016267167 [0,2,0,0,0,0|1,0,0]=3 5068 B15R0.111 CCOC(=O)/C=C/COCCOCC(C)C 7a_100000703358_100016267167 [0,2,0,0,0,0|1,0,0]=3 5069 B15R0.111 CCOC(=O)/C=C/COCCOCC(F)F 34a_100000704375_100016267167 [0,2,0,0,0,0|2,0,0]=4 5070 B15R0.111 CCOC(=O)/C=C/COCCOCC(F)F 7a_100000704375_100016267167 [0,2,0,0,0,0|2,0,0]=4 5071 B15R0.111 CCOC(=O)/C=C/COCCSCC(C)C 34a_200000230437_100016267167 [0,2,0,0,0,0|1,0,0]=3 5072 B15R0.111 CCOC(=O)/C=C/COCCSCC(C)C 7a_200000230437_100016267167 [0,2,0,0,0,0|1,0,0]=3 5073 B15R0.111 CCOC(=O)/C=C/CSCCCCB(O)O 62a_100016267167_200009817182 [0,2,0,0,0,0|2,0,0]=4 5074 B15R0.111 CCOC(=O)/C=C/CSCCCCB(O)O 62a_200009817182_100016267167 [0,2,0,0,0,0|2,0,0]=4 5075 B15R0.111 CCOC(=O)/C=C/CSCCCCC(=O)C 62a_100000735457_100016267167 [0,2,0,0,0,0|0,0,1]=3 5076 B15R0.111 CCOC(=O)/C=C/CSCCCCC(=O)C 62a_100016267167_100000735457 [0,2,0,0,0,0|0,0,1]=3 5077 B15R0.111 CCOC(=O)/C=C/CSCCCCC(C)C 62a_100011216152_100016267167 [0,2,0,0,0,0|0,0,0]=2 5078 B15R0.111 CCOC(=O)/C=C/CSCCCCC(C)C 62a_100016267167_100011216152 [0,2,0,0,0,0|0,0,0]=2 5079 B15R0.111 CCOC(=O)/C=C/CSCCCCN(C)C 62a_100016267167_100000690147 [0,2,0,0,0,0|1,0,0]=3 5080 B15R0.111 CCOC(=O)/C=C/CSCCCOC(=O)C 62a_100000042594_100016267167 [0,2,0,0,0,0|1,0,1]=4 5081 B15R0.111 CCOC(=O)/C=C/CSCCCOC(=O)C 62a_100016267167_100000042594 [0,2,0,0,0,0|1,0,1]=4 5082 B15R0.111 CCOC(=O)/C=C/CSCCCOC(=S)C 62a_100016267167_200135323944 [0,2,0,0,0,0|1,0,1]=4 5083 B15R0.111 CCOC(=O)/C=C/CSCCCOC(=S)C 62a_200135323944_100016267167 [0,2,0,0,0,0|1,0,1]=4 5084 B15R0.111 CCOC(=O)/C=C/CSCCCSC(=O)C 62a_100000038929_100016267167 [0,2,0,0,0,0|1,0,1]=4 5085 B15R0.111 CCOC(=O)/C=C/CSCCCSC(=O)C 62a_100016267167_100000038929 [0,2,0,0,0,0|1,0,1]=4 5086 B15R0.111 CCOC(=O)/C=C/CSCCOCC(F)F 62a_100016267167_200012177212 [0,2,0,0,0,0|2,0,0]=4 5087 B15R0.111 CCOC(=O)/C=C/CSCCOCC(F)F 62a_200012177212_100016267167 [0,2,0,0,0,0|2,0,0]=4 5088 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|0,0,2]=4 5089 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|0,0,2]=4 5090 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|0,0,2]=4 5091 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010175975 [0,2,0,0,0,0|0,0,2]=4 5092 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010175975 [0,2,0,0,0,0|0,0,2]=4 5093 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 2230a_100138425928_100009991516 [0,2,0,0,0,0|0,0,2]=4 5094 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 34a_100138425928_100009991516 [0,2,0,0,0,0|0,0,2]=4 5095 B15R0.111 CCOC(=O)CCCCCCCOC(C)C 34a_100000212225_100009991516 [0,2,0,0,0,0|0,0,2]=4 5096 B15R0.111 CCOC(=O)CCCCCCCSC(C)C 62a_100000210206_100009991516 [0,2,0,0,0,0|0,0,2]=4 5097 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 2230a_100000210953_100009814379 [0,2,0,0,0,0|0,0,2]=4 5098 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 34a_100000210953_100009814379 [0,2,0,0,0,0|0,0,2]=4 5099 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009814379 [0,2,0,0,0,0|0,0,2]=4 5100 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 34a_100000210904_100009814379 [0,2,0,0,0,0|0,0,2]=4 5101 B15R0.111 CCOC(=O)CCCCCCOCC(C)Br 34a_100012180447_100009814379 [0,2,0,0,0,0|0,0,2]=4 5102 B15R0.111 CCOC(=O)CCCCCCOCC(C)C 34a_100000210257_100009814379 [0,2,0,0,0,0|0,0,2]=4 5103 B15R0.111 CCOC(=O)CCCCCCOCC(C)F 34a_100015925927_100009814379 [0,2,0,0,0,0|0,0,2]=4 5104 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)Cl 34a_100016084084_100009814379 [0,2,0,0,0,0|0,0,2]=4 5105 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)N 34a_100000737577_100009814379 [0,2,0,0,0,0|0,0,2]=4 5106 B15R0.111 CCOC(=O)CCCCCCSCC(C)C 62a_100000210624_100009814379 [0,2,0,0,0,0|0,0,2]=4 5107 B15R0.111 CCOC(=O)CCCCCCSCC(C)O 62a_100011218427_100009814379 [0,2,0,0,0,0|0,0,2]=4 5108 B15R0.111 CCOC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009814379 [0,2,0,0,0,0|0,0,2]=4 5109 B15R0.111 CCOC(=O)CCCCCNCCC(C)O 2230a_200000755665_100000755133 [0,2,0,0,0,0|0,0,2]=4 5110 B15R0.111 CCOC(=O)CCCCCOCCC(C)Br 34a_100009893172_100000755133 [0,2,0,0,0,0|0,0,2]=4 5111 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 34a_100000210254_100000755133 [0,2,0,0,0,0|0,0,2]=4 5112 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100000210254_100000755133 [0,2,0,0,0,0|0,0,2]=4 5113 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100011214988_100000210626 [0,2,0,0,0,0|0,0,2]=4 5114 B15R0.111 CCOC(=O)CCCCCOCCC(C)O 7a_100011214988_100012276601 [0,2,0,0,0,0|0,0,2]=4 5115 B15R0.111 CCOC(=O)CCCCCOCC[C@@H](C)N 34a_100000706166_100000755133 [0,2,0,0,0,0|0,0,2]=4 5116 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000210312_100000755133 [0,2,0,0,0,0|0,0,2]=4 5117 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000755133_100000210312 [0,2,0,0,0,0|0,0,2]=4 5118 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100000755133_100012276601 [0,2,0,0,0,0|0,0,2]=4 5119 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100012276601_100000755133 [0,2,0,0,0,0|0,0,2]=4 5120 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 2230a_200000737386_100000750268 [0,2,0,0,0,0|0,0,2]=4 5121 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 34a_200000737386_100000750268 [0,2,0,0,0,0|0,0,2]=4 5122 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 34a_100000210774_100000750268 [0,2,0,0,0,0|0,0,2]=4 5123 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 7a_100000210774_100000750268 [0,2,0,0,0,0|0,0,2]=4 5124 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100000750268_100011214892 [0,2,0,0,0,0|0,0,2]=4 5125 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100011214892_100000750268 [0,2,0,0,0,0|0,0,2]=4 5126 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_100000750268_200000718107 [0,2,0,0,0,0|0,0,2]=4 5127 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_200000718107_100000750268 [0,2,0,0,0,0|0,0,2]=4 5128 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 34a_100011214890_100009991533 [0,2,0,0,0,0|0,0,2]=4 5129 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215271 [0,2,0,0,0,0|0,0,2]=4 5130 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100012001163_100011216152 [0,2,0,0,0,0|0,0,2]=4 5131 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100009991533_100011216152 [0,2,0,0,0,0|0,0,2]=4 5132 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100011216152_100009991533 [0,2,0,0,0,0|0,0,2]=4 5133 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 2230a_100011290863_100011206558 [0,2,0,0,0,0|0,0,2]=4 5134 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 34a_100011290863_100000765890 [0,2,0,0,0,0|0,0,2]=4 5135 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 34a_100011995859_100000765890 [0,2,0,0,0,0|0,0,2]=4 5136 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 7a_100011995859_100011206558 [0,2,0,0,0,0|0,0,2]=4 5137 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000210682_100000765890 [0,2,0,0,0,0|0,0,2]=4 5138 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000765890_100000210682 [0,2,0,0,0,0|0,0,2]=4 5139 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000188475 [0,2,0,0,0,0|0,0,2]=4 5140 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 34a_100000211014_100000188475 [0,2,0,0,0,0|0,0,2]=4 5141 B15R0.111 CCOC(=O)COCCCCCNC(C)C 34a_100011629493_100000188475 [0,2,0,0,0,0|1,0,1]=4 5142 B15R0.111 CCOC(=O)COCCCNCCC(C)O 2230a_200000755665_100009893628 [0,2,0,0,0,0|1,0,1]=4 5143 B15R0.111 CCOC(=O)COCCCOCCC(C)Br 34a_100009893172_100009893628 [0,2,0,0,0,0|1,0,1]=4 5144 B15R0.111 CCOC(=O)COCCCOCCC(C)C 34a_100000210254_100009893628 [0,2,0,0,0,0|1,0,1]=4 5145 B15R0.111 CCOC(=O)COCCCOCCC(C)C 7a_100000210254_100009893628 [0,2,0,0,0,0|1,0,1]=4 5146 B15R0.111 CCOC(=O)COCCCOCC[C@@H](C)N 34a_100000706166_100009893628 [0,2,0,0,0,0|1,0,1]=4 5147 B15R0.111 CCOC(=O)COCCCSCCC(C)C 62a_100000210312_100009893628 [0,2,0,0,0,0|1,0,1]=4 5148 B15R0.111 CCOC(=O)COCCCSCCC(C)C 62a_100009893628_100000210312 [0,2,0,0,0,0|1,0,1]=4 5149 B15R0.111 CCOC(=O)COCCCSCCC(C)O 62a_100009893628_100012276601 [0,2,0,0,0,0|1,0,1]=4 5150 B15R0.111 CCOC(=O)COCCCSCCC(C)O 62a_100012276601_100009893628 [0,2,0,0,0,0|1,0,1]=4 5151 B15R0.111 CCOC(=O)COCCNCCCC(C)C 2230a_200000737386_100000088970 [0,2,0,0,0,0|1,0,1]=4 5152 B15R0.111 CCOC(=O)COCCNCCCC(C)C 34a_200000737386_100000088970 [0,2,0,0,0,0|1,0,1]=4 5153 B15R0.111 CCOC(=O)COCCOCCCC(C)C 34a_100000210774_100000088970 [0,2,0,0,0,0|1,0,1]=4 5154 B15R0.111 CCOC(=O)COCCOCCCC(C)C 7a_100000210774_100000088970 [0,2,0,0,0,0|1,0,1]=4 5155 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100000088970_100011214892 [0,2,0,0,0,0|1,0,1]=4 5156 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100011214892_100000088970 [0,2,0,0,0,0|1,0,1]=4 5157 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_100000088970_200000718107 [0,2,0,0,0,0|1,0,1]=4 5158 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_200000718107_100000088970 [0,2,0,0,0,0|1,0,1]=4 5159 B15R0.111 CCOC(=O)CSCCOCCCC(C)C 7a_200000230590_100011214892 [0,2,0,0,0,0|1,0,1]=4 5160 B15R0.111 CCOC(=O)CSCCOCCCC(C)O 7a_200000230590_200000718107 [0,2,0,0,0,0|1,0,1]=4 5161 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 34a_100000158857_100011216152 [0,2,0,0,0,0|1,0,1]=4 5162 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 7a_100011214890_200011445536 [0,2,0,0,0,0|1,0,1]=4 5163 B15R0.111 CCOC(=O)NCCSCCCCC(C)C 62a_100011216152_200011445536 [0,2,0,0,0,0|1,0,1]=4 5164 B15R0.111 CCOC(=O)NN=CCSCCCC(C)C 62a_100011214892_100015372823 [0,2,0,0,0,0|2,0,0]=4 5165 B15R0.111 CCOC(=O)NN=CCSCCCC(C)O 62a_200000718107_100015372823 [0,2,0,0,0,0|2,0,0]=4 5166 B15R0.111 CCOC(=O)OCSCCCCCC(C)C 62a_100000210682_100000075025 [0,2,0,0,0,0|1,0,1]=4 5167 B15R0.366 C#CCCCCCCCOCC(=O)OCC 34a_100000054614_100000188475 [0,2,0,0,0,0|1,0,1]=4 5168 B15R0.366 C#CCCCCCCCOCC(=O)OCC 7a_100000054614_100000188475 [0,2,0,0,0,0|1,0,1]=4 5169 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100000188475_100153394163 [0,2,0,0,0,0|1,0,1]=4 5170 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100153394163_100000188475 [0,2,0,0,0,0|1,0,1]=4 5171 B15R0.366 C#CCCCCCOC/C=C/C(=O)OCC 34a_100000766912_100016267167 [0,2,0,0,0,0|0,0,1]=3 5172 B15R0.366 C#CCCCCCOC/C=C/C(=O)OCC 7a_100000766912_100016267167 [0,2,0,0,0,0|0,0,1]=3 5173 B15R0.366 C#CCCCCCSC/C=C/C(=O)OCC 62a_100012094781_100016267167 [0,2,0,0,0,0|0,0,1]=3 5174 B15R0.366 C#CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100012094781 [0,2,0,0,0,0|0,0,1]=3 5175 B15R0.366 C=CCCCCCCCOCC(=O)OCC 34a_100000730831_100000188475 [0,2,0,0,0,0|1,0,1]=4 5176 B15R0.366 C=CCCCCCCCOCC(=O)OCC 7a_100000730831_100000188475 [0,2,0,0,0,0|1,0,1]=4 5177 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100000188475_100012355270 [0,2,0,0,0,0|1,0,1]=4 5178 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100012355270_100000188475 [0,2,0,0,0,0|1,0,1]=4 5179 B15R0.366 C=CCCCCCOC/C=C/C(=O)OCC 34a_100011216702_100016267167 [0,2,0,0,0,0|0,0,1]=3 5180 B15R0.366 C=CCCCCCOC/C=C/C(=O)OCC 7a_100011216702_100016267167 [0,2,0,0,0,0|0,0,1]=3 5181 B15R0.366 C=CCCCCCSC/C=C/C(=O)OCC 62a_100000700193_100016267167 [0,2,0,0,0,0|0,0,1]=3 5182 B15R0.366 C=CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000700193 [0,2,0,0,0,0|0,0,1]=3 5183 B15R0.366 C=COCCCCOC/C=C/C(=O)OCC 34a_100000031558_100016267167 [0,2,0,0,0,0|0,0,2]=4 5184 B15R0.366 C=COCCCCOC/C=C/C(=O)OCC 7a_100000031558_100016267167 [0,2,0,0,0,0|0,0,2]=4 5185 B15R0.366 CC/C=C/CCCOC/C=C/C(=O)OCC 34a_100016287902_100016267167 [0,2,0,0,0,0|0,0,1]=3 5186 B15R0.366 CC/C=C/CCCOC/C=C/C(=O)OCC 7a_100016287902_100016267167 [0,2,0,0,0,0|0,0,1]=3 5187 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 34a_100016268722_100000188475 [0,2,0,0,0,0|1,0,1]=4 5188 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 7a_100016268722_100000188475 [0,2,0,0,0,0|1,0,1]=4 5189 B15R0.366 CCCC#CCCOC/C=C/C(=O)OCC 34a_100000042726_100016267167 [0,2,0,0,0,0|0,0,1]=3 5190 B15R0.366 CCCC#CCCOC/C=C/C(=O)OCC 7a_100000042726_100016267167 [0,2,0,0,0,0|0,0,1]=3 5191 B15R0.366 CCCC/C=C/COC/C=C/C(=O)OCC 34a_200016272032_100016267167 [0,2,0,0,0,0|0,0,1]=3 5192 B15R0.366 CCCC/C=C/COC/C=C/C(=O)OCC 7a_200016272032_100016267167 [0,2,0,0,0,0|0,0,1]=3 5193 B15R0.366 CCCCC#CCCCSCC(=O)OCC 62a_100000188475_200000047210 [0,2,0,0,0,0|1,0,1]=4 5194 B15R0.366 CCCCC#CCCCSCC(=O)OCC 62a_200000047210_100000188475 [0,2,0,0,0,0|1,0,1]=4 5195 B15R0.366 CCCCC#CCOC/C=C/C(=O)OCC 34a_200000034558_100016267167 [0,2,0,0,0,0|0,0,1]=3 5196 B15R0.366 CCCCC#CCOC/C=C/C(=O)OCC 7a_200000034558_100016267167 [0,2,0,0,0,0|0,0,1]=3 5197 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 34a_100016277358_100000188475 [0,2,0,0,0,0|1,0,1]=4 5198 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 7a_100016277358_100000188475 [0,2,0,0,0,0|1,0,1]=4 5199 B15R0.366 CCCCCC#CCCOCC(=O)OCC 34a_200000042877_100000188475 [0,2,0,0,0,0|1,0,1]=4 5200 B15R0.366 CCCCCC#CCCOCC(=O)OCC 7a_200000042877_100000188475 [0,2,0,0,0,0|1,0,1]=4 5201 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 34a_200016276170_100000188475 [0,2,0,0,0,0|0,0,2]=4 5202 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 7a_200016276170_100000188475 [0,2,0,0,0,0|0,0,2]=4 5203 B15R0.366 CCCCCCC#CCOCC(=O)OCC 34a_200000037284_100000188475 [0,2,0,0,0,0|1,0,1]=4 5204 B15R0.366 CCCCCCC#CCOCC(=O)OCC 7a_200000037284_100000188475 [0,2,0,0,0,0|1,0,1]=4 5205 B15R0.366 CCCCCCC=CC=NNC(=O)CCC 4a_100000189770_100016264548 [0,2,0,0,0,0|1,0,1]=4 5206 B15R0.366 CCCCCCCCC=NNC(=O)CCC 4a_100000189770_100011218696 [0,2,0,0,0,0|1,0,1]=4 5207 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [0,2,0,0,0,0|1,0,0]=3 5208 B15R0.366 CCCCCCCCCC=CC(=O)CCF 1458a_200015352897_100011217306 [0,2,0,0,0,0|2,0,0]=4 5209 B15R0.366 CCCCCCCCCC=CC(=O)CCO 1458a_200015352897_100000211926 [0,2,0,0,0,0|2,0,0]=4 5210 B15R0.366 CCCCCCCCCC=CC(=O)NCC 11a_100015525214_200015352897 [0,2,0,0,0,0|1,0,0]=3 5211 B15R0.366 CCCCCCCCCC=CC(=O)NCC 240690a_100015525214_200015352897 [0,2,0,0,0,0|1,0,0]=3 5212 B15R0.366 CCCCCCCCCC=CC(=O)NNC 22a_100016993582_200015352897 [0,2,0,0,0,0|2,0,0]=4 5213 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|0,0,2]=4 5214 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|0,0,2]=4 5215 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|0,0,2]=4 5216 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|0,0,2]=4 5217 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|0,0,2]=4 5218 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|0,0,2]=4 5219 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|0,0,2]=4 5220 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|0,0,2]=4 5221 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|0,0,2]=4 5222 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|0,0,2]=4 5223 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|0,0,2]=4 5224 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [0,2,0,0,0,0|0,0,2]=4 5225 B15R0.366 CCCCCCCNC/C=C/C(=O)OCC 2230a_100000229938_100016267167 [0,2,0,0,0,0|0,0,0]=2 5226 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|0,0,2]=4 5227 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 34a_100000210272_100016267167 [0,2,0,0,0,0|0,0,0]=2 5228 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 7a_100000210272_100016267167 [0,2,0,0,0,0|0,0,0]=2 5229 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|0,0,2]=4 5230 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|0,0,2]=4 5231 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|0,0,2]=4 5232 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [0,2,0,0,0,0|0,0,2]=4 5233 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [0,2,0,0,0,0|0,0,2]=4 5234 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100000210614_100016267167 [0,2,0,0,0,0|0,0,0]=2 5235 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210316 [0,2,0,0,0,0|0,0,0]=2 5236 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|0,0,2]=4 5237 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|0,0,2]=4 5238 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [0,2,0,0,0,0|0,0,2]=4 5239 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|0,0,2]=4 5240 B15R0.366 CCCCCCNCCOCC(=O)OCC 2230a_100000210581_100000088970 [0,2,0,0,0,0|0,0,2]=4 5241 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|0,0,2]=4 5242 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|0,0,2]=4 5243 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000210259_100000088970 [0,2,0,0,0,0|0,0,2]=4 5244 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000691444_100000188475 [0,2,0,0,0,0|0,0,2]=4 5245 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000210259_100000088970 [0,2,0,0,0,0|0,0,2]=4 5246 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000691444_100000188475 [0,2,0,0,0,0|0,0,2]=4 5247 B15R0.366 CCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210314 [0,2,0,0,0,0|0,0,2]=4 5248 B15R0.366 CCCCCCSCC=NNC(=O)OCC 62a_100000210314_100015372823 [0,2,0,0,0,0|1,0,0]=3 5249 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|0,0,2]=4 5250 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|0,0,2]=4 5251 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210757 [0,2,0,0,0,0|0,0,2]=4 5252 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000210314_100000088970 [0,2,0,0,0,0|0,0,2]=4 5253 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|0,0,2]=4 5254 B15R0.366 CCCCCNCCCOCC(=O)OCC 2230a_100000209983_100009893628 [0,2,0,0,0,0|0,0,2]=4 5255 B15R0.366 CCCCCNCCOCCC(=O)OCC 34a_100000224656_100000765890 [0,2,0,0,0,0|0,0,2]=4 5256 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|0,0,2]=4 5257 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|0,0,2]=4 5258 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|0,0,2]=4 5259 B15R0.366 CCCCCOCCCOCC(=O)OCC 34a_100000210253_100009893628 [0,2,0,0,0,0|0,0,2]=4 5260 B15R0.366 CCCCCOCCCOCC(=O)OCC 7a_100000210253_100009893628 [0,2,0,0,0,0|0,0,2]=4 5261 B15R0.366 CCCCCOCCOCCC(=O)OCC 34a_100011215259_100000765890 [0,2,0,0,0,0|0,0,2]=4 5262 B15R0.366 CCCCCOCCOCCC(=O)OCC 7a_100011215259_100011206558 [0,2,0,0,0,0|0,0,2]=4 5263 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|0,0,2]=4 5264 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|0,0,2]=4 5265 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100000210326_100009893628 [0,2,0,0,0,0|0,0,2]=4 5266 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210326 [0,2,0,0,0,0|0,0,2]=4 5267 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|0,0,2]=4 5268 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|0,0,2]=4 5269 B15R0.366 CCCCNCCCCOCC(=O)OCC 34a_200011216965_100000188475 [0,2,0,0,0,0|0,0,2]=4 5270 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|0,0,2]=4 5271 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|0,0,2]=4 5272 B15R0.366 CCCCOCCCCOCC(=O)OCC 34a_200000760531_100000188475 [0,2,0,0,0,0|0,0,2]=4 5273 B15R0.366 CCCCOCCCCOCC(=O)OCC 7a_200000760531_100000188475 [0,2,0,0,0,0|0,0,2]=4 5274 B15R0.366 CCCCOCCCNCCC(=O)OCC 2230a_200000211371_100011206558 [0,2,0,0,0,0|0,0,2]=4 5275 B15R0.366 CCCCOCCCNCCC(=O)OCC 34a_200000211371_100000765890 [0,2,0,0,0,0|0,0,2]=4 5276 B15R0.366 CCCCOCCCOCCC(=O)OCC 34a_200011215613_100000765890 [0,2,0,0,0,0|0,0,2]=4 5277 B15R0.366 CCCCOCCCOCCC(=O)OCC 7a_200011215613_100011206558 [0,2,0,0,0,0|0,0,2]=4 5278 B15R0.366 CCCCOCCOC/C=C/C(=O)OCC 34a_100000210238_100016267167 [0,2,0,0,0,0|0,0,0]=2 5279 B15R0.366 CCCCOCCOC/C=C/C(=O)OCC 7a_100000210238_100016267167 [0,2,0,0,0,0|0,0,0]=2 5280 B15R0.366 CCCCOCCOCCCC(=O)OCC 34a_100000210238_100009991533 [0,2,0,0,0,0|0,0,2]=4 5281 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100000210238_100011215271 [0,2,0,0,0,0|0,0,2]=4 5282 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100012001163_100000743108 [0,2,0,0,0,0|0,0,2]=4 5283 B15R0.366 CCCCOCCOCCNC(=O)OCC 34a_100000158857_100000743108 [0,2,0,0,0,0|1,0,1]=4 5284 B15R0.366 CCCCOCCOCCNC(=O)OCC 7a_100000210238_200011445536 [0,2,0,0,0,0|1,0,1]=4 5285 B15R0.366 CCCCOCCSC/C=C/C(=O)OCC 62a_100000743108_100016267167 [0,2,0,0,0,0|0,0,0]=2 5286 B15R0.366 CCCCOCCSC/C=C/C(=O)OCC 62a_100016267167_100000743108 [0,2,0,0,0,0|0,0,0]=2 5287 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100000743108_100009991533 [0,2,0,0,0,0|0,0,2]=4 5288 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100009991533_100000743108 [0,2,0,0,0,0|0,0,2]=4 5289 B15R0.366 CCCCOCCSCCNC(=O)OCC 62a_100000743108_200011445536 [0,2,0,0,0,0|1,0,1]=4 5290 B15R0.366 CCCCOCSCC=NNC(=O)OCC 62a_100011995733_100015372823 [0,2,0,0,0,0|2,0,0]=4 5291 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100000750268_100011995733 [0,2,0,0,0,0|0,0,2]=4 5292 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100011995733_100000750268 [0,2,0,0,0,0|0,0,2]=4 5293 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100000088970_100011995733 [0,2,0,0,0,0|1,0,1]=4 5294 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100011995733_100000088970 [0,2,0,0,0,0|1,0,1]=4 5295 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|0,0,2]=4 5296 B15R0.366 CCCCSCCNC/C=C/C(=O)OCC 2230a_100025743550_100016267167 [0,2,0,0,0,0|0,0,0]=2 5297 B15R0.366 CCCCSCCNCCCC(=O)OCC 2230a_100025743550_100009991533 [0,2,0,0,0,0|0,0,2]=4 5298 B15R0.366 CCCCSCCOC/C=C/C(=O)OCC 34a_200000230436_100016267167 [0,2,0,0,0,0|0,0,0]=2 5299 B15R0.366 CCCCSCCOC/C=C/C(=O)OCC 7a_200000230436_100016267167 [0,2,0,0,0,0|0,0,0]=2 5300 B15R0.366 CCCCSCCOCCCC(=O)OCC 34a_200000230436_100009991533 [0,2,0,0,0,0|0,0,2]=4 5301 B15R0.366 CCCCSCCOCCCC(=O)OCC 7a_200000230436_100011215271 [0,2,0,0,0,0|0,0,2]=4 5302 B15R0.366 CCCCSCCOCCNC(=O)OCC 7a_200000230436_200011445536 [0,2,0,0,0,0|1,0,1]=4 5303 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|0,0,2]=4 5304 B15R0.366 CCCOCCCNC/C=C/C(=O)OCC 2230a_100011217757_100016267167 [0,2,0,0,0,0|0,0,0]=2 5305 B15R0.366 CCCOCCCNC/C=C/C(=O)OCC 34a_100011217757_100016267167 [0,2,0,0,0,0|0,0,0]=2 5306 B15R0.366 CCCOCCCNCCCC(=O)OCC 2230a_100011217757_100009991533 [0,2,0,0,0,0|0,0,2]=4 5307 B15R0.366 CCCOCCCNCCCC(=O)OCC 34a_100011217757_100009991533 [0,2,0,0,0,0|0,0,2]=4 5308 B15R0.366 CCCOCCNCCCCC(=O)OCC 2230a_100161115042_100000750268 [0,2,0,0,0,0|0,0,2]=4 5309 B15R0.366 CCCOCCNCCCCC(=O)OCC 34a_100161115042_100000750268 [0,2,0,0,0,0|0,0,2]=4 5310 B15R0.366 CCCOCCNCCOCC(=O)OCC 2230a_100161115042_100000088970 [0,2,0,0,0,0|1,0,1]=4 5311 B15R0.366 CCCOCCNCCOCC(=O)OCC 34a_100161115042_100000088970 [0,2,0,0,0,0|1,0,1]=4 5312 B15R0.366 CCCOCCOCCCCC(=O)OCC 34a_100000752267_100000750268 [0,2,0,0,0,0|0,0,2]=4 5313 B15R0.366 CCCOCCOCCCCC(=O)OCC 7a_100000752267_100000750268 [0,2,0,0,0,0|0,0,2]=4 5314 B15R0.366 CCCOCCOCCNCC(=O)OCC 2230a_200011904461_100000188475 [0,2,0,0,0,0|1,0,1]=4 5315 B15R0.366 CCCOCCOCCNCC(=O)OCC 34a_200011904461_100000188475 [0,2,0,0,0,0|1,0,1]=4 5316 B15R0.366 CCCOCCOCCOCC(=O)OCC 34a_100000752267_100000088970 [0,2,0,0,0,0|1,0,1]=4 5317 B15R0.366 CCCOCCOCCOCC(=O)OCC 7a_100000752267_100000088970 [0,2,0,0,0,0|1,0,1]=4 5318 B15R0.366 CCCOCCOCCSCC(=O)OCC 7a_200000230590_100011215938 [0,2,0,0,0,0|1,0,1]=4 5319 B15R0.366 CCCOCCSCC=NNC(=O)OCC 62a_100011215938_100015372823 [0,2,0,0,0,0|2,0,0]=4 5320 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100000750268_100011215938 [0,2,0,0,0,0|0,0,2]=4 5321 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100011215938_100000750268 [0,2,0,0,0,0|0,0,2]=4 5322 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100000088970_100011215938 [0,2,0,0,0,0|1,0,1]=4 5323 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100011215938_100000088970 [0,2,0,0,0,0|1,0,1]=4 5324 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|0,0,2]=4 5325 B15R0.366 CCCSCCNCCCCC(=O)OCC 2230a_100020603323_100000750268 [0,2,0,0,0,0|0,0,2]=4 5326 B15R0.366 CCCSCCNCCOCC(=O)OCC 2230a_100020603323_100000088970 [0,2,0,0,0,0|1,0,1]=4 5327 B15R0.366 CCCSCCOCCCCC(=O)OCC 34a_200000230433_100000750268 [0,2,0,0,0,0|0,0,2]=4 5328 B15R0.366 CCCSCCOCCCCC(=O)OCC 7a_200000230433_100000750268 [0,2,0,0,0,0|0,0,2]=4 5329 B15R0.366 CCCSCCOCCOCC(=O)OCC 34a_200000230433_100000088970 [0,2,0,0,0,0|1,0,1]=4 5330 B15R0.366 CCCSCCOCCOCC(=O)OCC 7a_200000230433_100000088970 [0,2,0,0,0,0|1,0,1]=4 5331 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|0,0,2]=4 5332 B15R0.366 CCOC(=O)/C=C/CNCCCCCCO 2230a_100000686447_100016267167 [0,2,0,0,0,0|0,0,0]=2 5333 B15R0.366 CCOC(=O)/C=C/CNCCCCCCO 34a_100000686447_100016267167 [0,2,0,0,0,0|0,0,0]=2 5334 B15R0.366 CCOC(=O)/C=C/CNCCCCCOC 2230a_100000747528_100016267167 [0,2,0,0,0,0|0,0,0]=2 5335 B15R0.366 CCOC(=O)/C=C/CNCCCCCOC 34a_100000747528_100016267167 [0,2,0,0,0,0|0,0,0]=2 5336 B15R0.366 CCOC(=O)/C=C/CNCCCCN=[N+]=[N-] 2230a_100000101370_100016267167 [0,2,0,0,0,0|2,0,0]=4 5337 B15R0.366 CCOC(=O)/C=C/CNCCOCCOC 2230a_100000745349_100016267167 [0,2,0,0,0,0|1,0,0]=3 5338 B15R0.366 CCOC(=O)/C=C/CNCCOCCOC 34a_100000745349_100016267167 [0,2,0,0,0,0|1,0,0]=3 5339 B15R0.366 CCOC(=O)/C=C/COCCCCCCBr 34a_100011215345_100016267167 [0,2,0,0,0,0|0,0,0]=2 5340 B15R0.366 CCOC(=O)/C=C/COCCCCCCBr 7a_100011215345_100016267167 [0,2,0,0,0,0|0,0,0]=2 5341 B15R0.366 CCOC(=O)/C=C/COCCCCCCCl 34a_100000766143_100016267167 [0,2,0,0,0,0|0,0,0]=2 5342 B15R0.366 CCOC(=O)/C=C/COCCCCCCCl 7a_100000766143_100016267167 [0,2,0,0,0,0|0,0,0]=2 5343 B15R0.366 CCOC(=O)/C=C/COCCCCCCF 34a_100000732779_100016267167 [0,2,0,0,0,0|0,0,0]=2 5344 B15R0.366 CCOC(=O)/C=C/COCCCCCCF 7a_100000732779_100016267167 [0,2,0,0,0,0|0,0,0]=2 5345 B15R0.366 CCOC(=O)/C=C/COCCCCCCN 34a_100000686447_100016267167 [0,2,0,0,0,0|0,0,0]=2 5346 B15R0.366 CCOC(=O)/C=C/COCCCCCNC 34a_100000722520_100016267167 [0,2,0,0,0,0|0,0,0]=2 5347 B15R0.366 CCOC(=O)/C=C/COCCOCCNC 34a_100000228057_100016267167 [0,2,0,0,0,0|1,0,0]=3 5348 B15R0.366 CCOC(=O)/C=C/COCCOCCOC 34a_100011215163_100016267167 [0,2,0,0,0,0|1,0,0]=3 5349 B15R0.366 CCOC(=O)/C=C/COCCOCCOC 7a_100011215163_100016267167 [0,2,0,0,0,0|1,0,0]=3 5350 B15R0.366 CCOC(=O)/C=C/CSCCCCCC#N 62a_100009813376_100016267167 [0,2,0,0,0,0|0,0,1]=3 5351 B15R0.366 CCOC(=O)/C=C/CSCCCCCC#N 62a_100016267167_100009813376 [0,2,0,0,0,0|0,0,1]=3 5352 B15R0.366 CCOC(=O)/C=C/CSCCCCCC=O 62a_100000139337_100016267167 [0,2,0,0,0,0|0,0,1]=3 5353 B15R0.366 CCOC(=O)/C=C/CSCCCCCC=O 62a_100016267167_100000139337 [0,2,0,0,0,0|0,0,1]=3 5354 B15R0.366 CCOC(=O)/C=C/CSCCCCCCF 62a_100015922095_100016267167 [0,2,0,0,0,0|0,0,0]=2 5355 B15R0.366 CCOC(=O)/C=C/CSCCCCCCF 62a_100016267167_100015922095 [0,2,0,0,0,0|0,0,0]=2 5356 B15R0.366 CCOC(=O)/C=C/CSCCCCCCO 62a_100000766143_100016267167 [0,2,0,0,0,0|0,0,0]=2 5357 B15R0.366 CCOC(=O)/C=C/CSCCCCCCO 62a_100016267167_100000766143 [0,2,0,0,0,0|0,0,0]=2 5358 B15R0.366 CCOC(=O)/C=C/CSCCOCCOC 62a_100000695917_100016267167 [0,2,0,0,0,0|1,0,0]=3 5359 B15R0.366 CCOC(=O)/C=C/CSCCOCCOC 62a_100016267167_100000695917 [0,2,0,0,0,0|1,0,0]=3 5360 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|0,0,2]=4 5361 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|0,0,2]=4 5362 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|0,0,2]=4 5363 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|0,0,2]=4 5364 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|0,0,2]=4 5365 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|0,0,2]=4 5366 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|0,0,2]=4 5367 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [0,2,0,0,0,0|0,0,2]=4 5368 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [0,2,0,0,0,0|0,0,2]=4 5369 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [0,2,0,0,0,0|0,0,2]=4 5370 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [0,2,0,0,0,0|0,0,2]=4 5371 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [0,2,0,0,0,0|0,0,2]=4 5372 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [0,2,0,0,0,0|0,0,2]=4 5373 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [0,2,0,0,0,0|0,0,2]=4 5374 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [0,2,0,0,0,0|0,0,2]=4 5375 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [0,2,0,0,0,0|0,0,2]=4 5376 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [0,2,0,0,0,0|0,0,2]=4 5377 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [0,2,0,0,0,0|0,0,2]=4 5378 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [0,2,0,0,0,0|0,0,2]=4 5379 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [0,2,0,0,0,0|0,0,2]=4 5380 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [0,2,0,0,0,0|0,0,2]=4 5381 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [0,2,0,0,0,0|0,0,2]=4 5382 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [0,2,0,0,0,0|0,0,2]=4 5383 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [0,2,0,0,0,0|0,0,2]=4 5384 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [0,2,0,0,0,0|0,0,2]=4 5385 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [0,2,0,0,0,0|0,0,2]=4 5386 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [0,2,0,0,0,0|0,0,2]=4 5387 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [0,2,0,0,0,0|0,0,2]=4 5388 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [0,2,0,0,0,0|0,0,2]=4 5389 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [0,2,0,0,0,0|0,0,2]=4 5390 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [0,2,0,0,0,0|0,0,2]=4 5391 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [0,2,0,0,0,0|0,0,2]=4 5392 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [0,2,0,0,0,0|0,0,2]=4 5393 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [0,2,0,0,0,0|0,0,2]=4 5394 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [0,2,0,0,0,0|0,0,2]=4 5395 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [0,2,0,0,0,0|0,0,2]=4 5396 B15R0.366 CCOC(=O)CCCCCNCCSCC 2230a_100000106463_100000755133 [0,2,0,0,0,0|0,0,2]=4 5397 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [0,2,0,0,0,0|0,0,2]=4 5398 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [0,2,0,0,0,0|0,0,2]=4 5399 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [0,2,0,0,0,0|0,0,2]=4 5400 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [0,2,0,0,0,0|0,0,2]=4 5401 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [0,2,0,0,0,0|0,0,2]=4 5402 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [0,2,0,0,0,0|0,0,2]=4 5403 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [0,2,0,0,0,0|0,0,2]=4 5404 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [0,2,0,0,0,0|0,0,2]=4 5405 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [0,2,0,0,0,0|0,0,2]=4 5406 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [0,2,0,0,0,0|0,0,2]=4 5407 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [0,2,0,0,0,0|0,0,2]=4 5408 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [0,2,0,0,0,0|0,0,2]=4 5409 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [0,2,0,0,0,0|0,0,2]=4 5410 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [0,2,0,0,0,0|0,0,2]=4 5411 B15R0.366 CCOC(=O)CCCCCOCCSCC 34a_100000212035_100000755133 [0,2,0,0,0,0|0,0,2]=4 5412 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100000212035_100000755133 [0,2,0,0,0,0|0,0,2]=4 5413 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100011214988_100000757381 [0,2,0,0,0,0|0,0,2]=4 5414 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [0,2,0,0,0,0|0,0,2]=4 5415 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [0,2,0,0,0,0|0,0,2]=4 5416 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [0,2,0,0,0,0|0,0,2]=4 5417 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [0,2,0,0,0,0|0,0,2]=4 5418 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [0,2,0,0,0,0|0,0,2]=4 5419 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [0,2,0,0,0,0|0,0,2]=4 5420 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000755133_100000757381 [0,2,0,0,0,0|0,0,2]=4 5421 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000757381_100000755133 [0,2,0,0,0,0|0,0,2]=4 5422 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [0,2,0,0,0,0|0,0,2]=4 5423 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [0,2,0,0,0,0|0,0,2]=4 5424 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [0,2,0,0,0,0|0,0,2]=4 5425 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [0,2,0,0,0,0|0,0,2]=4 5426 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [0,2,0,0,0,0|0,0,2]=4 5427 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [0,2,0,0,0,0|0,0,2]=4 5428 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [0,2,0,0,0,0|0,0,2]=4 5429 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [0,2,0,0,0,0|0,0,2]=4 5430 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [0,2,0,0,0,0|0,0,2]=4 5431 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [0,2,0,0,0,0|0,0,2]=4 5432 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [0,2,0,0,0,0|0,0,2]=4 5433 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [0,2,0,0,0,0|0,0,2]=4 5434 B15R0.366 CCOC(=O)CCCCOCCCSCC 34a_100011216438_100000750268 [0,2,0,0,0,0|0,0,2]=4 5435 B15R0.366 CCOC(=O)CCCCOCCCSCC 7a_100011216438_100000750268 [0,2,0,0,0,0|0,0,2]=4 5436 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [0,2,0,0,0,0|0,0,2]=4 5437 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [0,2,0,0,0,0|0,0,2]=4 5438 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [0,2,0,0,0,0|0,0,2]=4 5439 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [0,2,0,0,0,0|0,0,2]=4 5440 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [0,2,0,0,0,0|0,0,2]=4 5441 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [0,2,0,0,0,0|0,0,2]=4 5442 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [0,2,0,0,0,0|0,0,2]=4 5443 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [0,2,0,0,0,0|0,0,2]=4 5444 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [0,2,0,0,0,0|0,0,2]=4 5445 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [0,2,0,0,0,0|0,0,2]=4 5446 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [0,2,0,0,0,0|0,0,2]=4 5447 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [0,2,0,0,0,0|0,0,2]=4 5448 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [0,2,0,0,0,0|0,0,2]=4 5449 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [0,2,0,0,0,0|0,0,2]=4 5450 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [0,2,0,0,0,0|0,0,2]=4 5451 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [0,2,0,0,0,0|0,0,2]=4 5452 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [0,2,0,0,0,0|0,0,2]=4 5453 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [0,2,0,0,0,0|0,0,2]=4 5454 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [0,2,0,0,0,0|0,0,2]=4 5455 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [0,2,0,0,0,0|0,0,2]=4 5456 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [0,2,0,0,0,0|0,0,2]=4 5457 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [0,2,0,0,0,0|0,0,2]=4 5458 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [0,2,0,0,0,0|0,0,2]=4 5459 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [0,2,0,0,0,0|0,0,2]=4 5460 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [0,2,0,0,0,0|0,0,2]=4 5461 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [0,2,0,0,0,0|0,0,2]=4 5462 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [0,2,0,0,0,0|0,0,2]=4 5463 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [0,2,0,0,0,0|0,0,2]=4 5464 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [0,2,0,0,0,0|0,0,2]=4 5465 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [0,2,0,0,0,0|0,0,2]=4 5466 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [0,2,0,0,0,0|0,0,2]=4 5467 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [0,2,0,0,0,0|0,0,2]=4 5468 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [0,2,0,0,0,0|0,0,2]=4 5469 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [0,2,0,0,0,0|0,0,2]=4 5470 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [0,2,0,0,0,0|0,0,2]=4 5471 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [0,2,0,0,0,0|0,0,2]=4 5472 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [0,2,0,0,0,0|0,0,2]=4 5473 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [0,2,0,0,0,0|0,0,2]=4 5474 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [0,2,0,0,0,0|0,0,2]=4 5475 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [0,2,0,0,0,0|0,0,2]=4 5476 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [0,2,0,0,0,0|0,0,2]=4 5477 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [0,2,0,0,0,0|0,0,2]=4 5478 B15R0.366 CCOC(=O)COCCCCCNCCN 34a_103619048469_100000188475 [0,2,0,0,0,0|1,0,1]=4 5479 B15R0.366 CCOC(=O)COCCCNCCCCO 2230a_100000750430_100009893628 [0,2,0,0,0,0|1,0,1]=4 5480 B15R0.366 CCOC(=O)COCCCNCCCCO 34a_100000750430_100009893628 [0,2,0,0,0,0|1,0,1]=4 5481 B15R0.366 CCOC(=O)COCCCNCCCOC 34a_100150723488_100009893628 [0,2,0,0,0,0|1,0,1]=4 5482 B15R0.366 CCOC(=O)COCCCNCCCSC 2230a_100000749238_100009893628 [0,2,0,0,0,0|1,0,1]=4 5483 B15R0.366 CCOC(=O)COCCCNCCSCC 2230a_100000106463_100009893628 [0,2,0,0,0,0|1,0,1]=4 5484 B15R0.366 CCOC(=O)COCCCOCCCCBr 34a_100011216708_100009893628 [0,2,0,0,0,0|1,0,1]=4 5485 B15R0.366 CCOC(=O)COCCCOCCCCCl 34a_100000210776_100009893628 [0,2,0,0,0,0|1,0,1]=4 5486 B15R0.366 CCOC(=O)COCCCOCCCCCl 7a_100000210776_100009893628 [0,2,0,0,0,0|1,0,1]=4 5487 B15R0.366 CCOC(=O)COCCCOCCCCF 34a_100011995726_100009893628 [0,2,0,0,0,0|1,0,1]=4 5488 B15R0.366 CCOC(=O)COCCCOCCCCF 7a_100011995726_100009893628 [0,2,0,0,0,0|1,0,1]=4 5489 B15R0.366 CCOC(=O)COCCCOCCCCI 34a_200012148704_100009893628 [0,2,0,0,0,0|1,0,1]=4 5490 B15R0.366 CCOC(=O)COCCCOCCCCN 34a_100000750430_100009893628 [0,2,0,0,0,0|1,0,1]=4 5491 B15R0.366 CCOC(=O)COCCCOCCCNC 34a_100000213112_100009893628 [0,2,0,0,0,0|1,0,1]=4 5492 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_100000740835_100009893628 [0,2,0,0,0,0|1,0,1]=4 5493 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_200011215475_100000188475 [0,2,0,0,0,0|1,0,1]=4 5494 B15R0.366 CCOC(=O)COCCCOCCCOC 7a_200011215475_100000188475 [0,2,0,0,0,0|1,0,1]=4 5495 B15R0.366 CCOC(=O)COCCCOCCCSC 34a_100000690336_100009893628 [0,2,0,0,0,0|1,0,1]=4 5496 B15R0.366 CCOC(=O)COCCCOCCCSC 7a_100000690336_100009893628 [0,2,0,0,0,0|1,0,1]=4 5497 B15R0.366 CCOC(=O)COCCCOCCSCC 34a_100000212035_100009893628 [0,2,0,0,0,0|1,0,1]=4 5498 B15R0.366 CCOC(=O)COCCCOCCSCC 7a_100000212035_100009893628 [0,2,0,0,0,0|1,0,1]=4 5499 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100000729493_100009893628 [0,2,0,0,0,0|1,0,1]=4 5500 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100009893628_100000729493 [0,2,0,0,0,0|1,0,1]=4 5501 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100000210776_100009893628 [0,2,0,0,0,0|1,0,1]=4 5502 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100009893628_100000210776 [0,2,0,0,0,0|1,0,1]=4 5503 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100000709357_100009893628 [0,2,0,0,0,0|1,0,1]=4 5504 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100009893628_100000709357 [0,2,0,0,0,0|1,0,1]=4 5505 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100000757381_100009893628 [0,2,0,0,0,0|1,0,1]=4 5506 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100009893628_100000757381 [0,2,0,0,0,0|1,0,1]=4 5507 B15R0.366 CCOC(=O)COCCNCCCCCO 2230a_100000762737_100000088970 [0,2,0,0,0,0|1,0,1]=4 5508 B15R0.366 CCOC(=O)COCCNCCCCCO 34a_100000762737_100000088970 [0,2,0,0,0,0|1,0,1]=4 5509 B15R0.366 CCOC(=O)COCCOCCCCCBr 34a_100000746331_100000088970 [0,2,0,0,0,0|1,0,1]=4 5510 B15R0.366 CCOC(=O)COCCOCCCCCBr 7a_100000746331_100000088970 [0,2,0,0,0,0|1,0,1]=4 5511 B15R0.366 CCOC(=O)COCCOCCCCCCl 34a_100000746330_100000088970 [0,2,0,0,0,0|1,0,1]=4 5512 B15R0.366 CCOC(=O)COCCOCCCCCCl 7a_100000746330_100000088970 [0,2,0,0,0,0|1,0,1]=4 5513 B15R0.366 CCOC(=O)COCCOCCCCCI 34a_200012148887_100000088970 [0,2,0,0,0,0|1,0,1]=4 5514 B15R0.366 CCOC(=O)COCCOCCCCCI 7a_200012148887_100000088970 [0,2,0,0,0,0|1,0,1]=4 5515 B15R0.366 CCOC(=O)COCCOCCCCCN 34a_100000762737_100000088970 [0,2,0,0,0,0|1,0,1]=4 5516 B15R0.366 CCOC(=O)COCCOCCCCOC 34a_100000740925_100000088970 [0,2,0,0,0,0|1,0,1]=4 5517 B15R0.366 CCOC(=O)COCCOCCCCSC 34a_100011217163_100000088970 [0,2,0,0,0,0|1,0,1]=4 5518 B15R0.366 CCOC(=O)COCCOCCCCSC 7a_100011217163_100000088970 [0,2,0,0,0,0|1,0,1]=4 5519 B15R0.366 CCOC(=O)COCCOCCCSCC 34a_100011216438_100000088970 [0,2,0,0,0,0|1,0,1]=4 5520 B15R0.366 CCOC(=O)COCCOCCCSCC 7a_100011216438_100000088970 [0,2,0,0,0,0|1,0,1]=4 5521 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000088970_100000729378 [0,2,0,0,0,0|1,0,1]=4 5522 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000729378_100000088970 [0,2,0,0,0,0|1,0,1]=4 5523 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000088970_100000746330 [0,2,0,0,0,0|1,0,1]=4 5524 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000746330_100000088970 [0,2,0,0,0,0|1,0,1]=4 5525 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000088970_100000730899 [0,2,0,0,0,0|1,0,1]=4 5526 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000730899_100000088970 [0,2,0,0,0,0|1,0,1]=4 5527 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [0,2,0,0,0,0|0,0,2]=4 5528 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [0,2,0,0,0,0|0,0,2]=4 5529 B15R0.366 CCOC(=O)CSCCOCCCCCF 7a_200000230590_100000729378 [0,2,0,0,0,0|1,0,1]=4 5530 B15R0.366 CCOC(=O)CSCCOCCCCCO 7a_200000230590_100000746330 [0,2,0,0,0,0|1,0,1]=4 5531 B15R0.366 CCOC(=O)CSCCOCCCCOC 7a_200000230590_100000730899 [0,2,0,0,0,0|1,0,1]=4 5532 B15R0.366 CCOC(=O)NCCOCCCCCCBr 7a_100011215345_200011445536 [0,2,0,0,0,0|1,0,1]=4 5533 B15R0.366 CCOC(=O)NCCOCCCCCCCl 7a_100000766143_200011445536 [0,2,0,0,0,0|1,0,1]=4 5534 B15R0.366 CCOC(=O)NCCOCCCCCCF 34a_100000158857_100015922095 [0,2,0,0,0,0|1,0,1]=4 5535 B15R0.366 CCOC(=O)NCCOCCCCCCF 7a_100000732779_200011445536 [0,2,0,0,0,0|1,0,1]=4 5536 B15R0.366 CCOC(=O)NCCOCCCCCCO 34a_100000158857_100000766143 [0,2,0,0,0,0|1,0,1]=4 5537 B15R0.366 CCOC(=O)NCCSCCCCCCF 62a_100015922095_200011445536 [0,2,0,0,0,0|1,0,1]=4 5538 B15R0.366 CCOC(=O)NCCSCCCCCCO 62a_100000766143_200011445536 [0,2,0,0,0,0|1,0,1]=4 5539 B15R0.366 CCOC(=O)NN=CCSCCCCCF 62a_100000729378_100015372823 [0,2,0,0,0,0|2,0,0]=4 5540 B15R0.366 CCOC(=O)NN=CCSCCCCCO 62a_100000746330_100015372823 [0,2,0,0,0,0|2,0,0]=4 5541 B15R0.366 CCOC(=O)NN=CCSCCCCOC 62a_100000730899_100015372823 [0,2,0,0,0,0|2,0,0]=4 5542 B15R0.366 CCOC(=O)OCSCCCCCCCO 62a_100000760002_100000075025 [0,2,0,0,0,0|1,0,1]=4 5543 B15R0.366 CCOC(=O)OCSCCCCCCOC 62a_100011998445_100000075025 [0,2,0,0,0,0|1,0,1]=4 5544 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|0,0,2]=4 5545 B15R0.366 CCOCCCNCCCCC(=O)OCC 2230a_100000210961_100000750268 [0,2,0,0,0,0|0,0,2]=4 5546 B15R0.366 CCOCCCNCCCCC(=O)OCC 34a_100000210961_100000750268 [0,2,0,0,0,0|0,0,2]=4 5547 B15R0.366 CCOCCCNCCOCC(=O)OCC 2230a_100000210961_100000088970 [0,2,0,0,0,0|1,0,1]=4 5548 B15R0.366 CCOCCCNCCOCC(=O)OCC 34a_100000210961_100000088970 [0,2,0,0,0,0|1,0,1]=4 5549 B15R0.366 CCOCCCOCCCCC(=O)OCC 34a_100000757476_100000750268 [0,2,0,0,0,0|0,0,2]=4 5550 B15R0.366 CCOCCCOCCCCC(=O)OCC 7a_100000757476_100000750268 [0,2,0,0,0,0|0,0,2]=4 5551 B15R0.366 CCOCCCOCCOCC(=O)OCC 34a_100000757476_100000088970 [0,2,0,0,0,0|1,0,1]=4 5552 B15R0.366 CCOCCCOCCOCC(=O)OCC 7a_100000757476_100000088970 [0,2,0,0,0,0|1,0,1]=4 5553 B15R0.366 CCOCCCOCCSCC(=O)OCC 7a_200000230590_100012232248 [0,2,0,0,0,0|1,0,1]=4 5554 B15R0.366 CCOCCCSCC=NNC(=O)OCC 62a_100012232248_100015372823 [0,2,0,0,0,0|2,0,0]=4 5555 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100000750268_100012232248 [0,2,0,0,0,0|0,0,2]=4 5556 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100012232248_100000750268 [0,2,0,0,0,0|0,0,2]=4 5557 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100000088970_100012232248 [0,2,0,0,0,0|1,0,1]=4 5558 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100012232248_100000088970 [0,2,0,0,0,0|1,0,1]=4 5559 B15R0.366 CCOCCNCCCCCC(=O)OCC 2230a_102516460346_100000755133 [0,2,0,0,0,0|0,0,2]=4 5560 B15R0.366 CCOCCNCCCCCC(=O)OCC 34a_102516460346_100000755133 [0,2,0,0,0,0|0,0,2]=4 5561 B15R0.366 CCOCCNCCCOCC(=O)OCC 2230a_102516460346_100009893628 [0,2,0,0,0,0|1,0,1]=4 5562 B15R0.366 CCOCCNCCCOCC(=O)OCC 34a_102516460346_100009893628 [0,2,0,0,0,0|1,0,1]=4 5563 B15R0.366 CCOCCOCCCCCC(=O)OCC 34a_100000210136_100000755133 [0,2,0,0,0,0|0,0,2]=4 5564 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100000210136_100000755133 [0,2,0,0,0,0|0,0,2]=4 5565 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215890 [0,2,0,0,0,0|0,0,2]=4 5566 B15R0.366 CCOCCOCCCOCC(=O)OCC 34a_100000210136_100009893628 [0,2,0,0,0,0|1,0,1]=4 5567 B15R0.366 CCOCCOCCCOCC(=O)OCC 7a_100000210136_100009893628 [0,2,0,0,0,0|1,0,1]=4 5568 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000210147_100000755133 [0,2,0,0,0,0|0,0,2]=4 5569 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215890 [0,2,0,0,0,0|0,0,2]=4 5570 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100000210147_100009893628 [0,2,0,0,0,0|1,0,1]=4 5571 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100009893628_100011215890 [0,2,0,0,0,0|1,0,1]=4 5572 B15R0.366 CCOCSCCCCCCC(=O)OCC 62a_100000739092_100009814379 [0,2,0,0,0,0|0,0,2]=4 5573 B15R0.384 CCOC(=O)/C=C/CNCCCC(=O)NC 2230a_100000740002_100016267167 [0,2,0,0,0,0|1,0,1]=4 5574 B15R0.384 CCOC(=O)/C=C/CNCCCC(=O)NC 34a_100000740002_100016267167 [0,2,0,0,0,0|1,0,1]=4 5575 B15R0.384 CCOC(=O)/C=C/CNCCNC(=O)CC 34a_100132302217_100016267167 [0,2,0,0,0,0|1,0,1]=4 5576 B15R0.384 CCOC(=O)/C=C/COCCCC(C)CC 7a_100011216074_100016267167 [0,2,0,0,0,0|0,0,0]=2 5577 B15R0.384 CCOC(=O)/C=C/COCCC[C@@H](C)CN 34a_100160569302_100016267167 [0,2,0,0,0,0|1,0,0]=3 5578 B15R0.384 CCOC(=O)/C=C/COCCNC(=O)CC 34a_200000158885_100016267167 [0,2,0,0,0,0|1,0,1]=4 5579 B15R0.384 CCOC(=O)/C=C/COCCNC(=O)CC 7a_200000158885_100016267167 [0,2,0,0,0,0|1,0,1]=4 5580 B15R0.384 CCOC(=O)/C=C/COCCOC(=O)CC 7a_200000031056_100016267167 [0,2,0,0,0,0|1,0,1]=4 5581 B15R0.384 CCOC(=O)/C=C/CSCCCC(=O)NC 62a_100000741757_100016267167 [0,2,0,0,0,0|1,0,1]=4 5582 B15R0.384 CCOC(=O)/C=C/CSCCCC(=O)NC 62a_100016267167_100000741757 [0,2,0,0,0,0|1,0,1]=4 5583 B15R0.384 CCOC(=O)/C=C/CSCCCC(=O)OC 62a_100011218270_100016267167 [0,2,0,0,0,0|1,0,1]=4 5584 B15R0.384 CCOC(=O)/C=C/CSCCCC(=O)OC 62a_100016267167_100011218270 [0,2,0,0,0,0|1,0,1]=4 5585 B15R0.384 CCOC(=O)/C=C/CSCCCN(C)CC 62a_100016267167_100015186262 [0,2,0,0,0,0|1,0,0]=3 5586 B15R0.384 CCOC(=O)CCCCCCCC(=O)CC 1458a_100000210414_100009991516 [0,2,0,0,0,0|0,0,2]=4 5587 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 2230a_100000225621_100009991516 [0,2,0,0,0,0|0,0,2]=4 5588 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 269982a_100000225621_100009991516 [0,2,0,0,0,0|0,0,2]=4 5589 B15R0.384 CCOC(=O)CCCCCCNC(C)CC 2230a_100000209981_100009814379 [0,2,0,0,0,0|0,0,2]=4 5590 B15R0.384 CCOC(=O)CCCCCCOC(C)CC 7a_100000210228_100009814379 [0,2,0,0,0,0|0,0,2]=4 5591 B15R0.384 CCOC(=O)CCCCCCSC(C)CC 62a_100000758301_100009814379 [0,2,0,0,0,0|0,0,2]=4 5592 B15R0.384 CCOC(=O)CCCCCNCC(C)CC 2230a_100020588543_100000755133 [0,2,0,0,0,0|0,0,2]=4 5593 B15R0.384 CCOC(=O)CCCCCNCC(O)CC 2230a_100011218483_100000755133 [0,2,0,0,0,0|0,0,2]=4 5594 B15R0.384 CCOC(=O)CCCCCOCC(C)CC 7a_100011214988_100000748023 [0,2,0,0,0,0|0,0,2]=4 5595 B15R0.384 CCOC(=O)CCCCCOCC(O)CC 7a_100011214988_100011218378 [0,2,0,0,0,0|0,0,2]=4 5596 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100009816381_100000755133 [0,2,0,0,0,0|0,0,2]=4 5597 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100011214988_100009816398 [0,2,0,0,0,0|0,0,2]=4 5598 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000748023_100000755133 [0,2,0,0,0,0|0,0,2]=4 5599 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000755133_100000748023 [0,2,0,0,0,0|0,0,2]=4 5600 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100000755133_100011218378 [0,2,0,0,0,0|0,0,2]=4 5601 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100011218378_100000755133 [0,2,0,0,0,0|0,0,2]=4 5602 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100000755133_100009816398 [0,2,0,0,0,0|0,0,2]=4 5603 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100009816398_100000755133 [0,2,0,0,0,0|0,0,2]=4 5604 B15R0.384 CCOC(=O)CCCCNCCC(C)CC 2230a_100020591266_100000750268 [0,2,0,0,0,0|0,0,2]=4 5605 B15R0.384 CCOC(=O)CCCCOCCC(C)CC 7a_100011215188_100000750268 [0,2,0,0,0,0|0,0,2]=4 5606 B15R0.384 CCOC(=O)CCCOCCCC(C)CC 7a_100011216074_100011215271 [0,2,0,0,0,0|0,0,2]=4 5607 B15R0.384 CCOC(=O)COCCCCCC(C)CC 7a_200000035636_100000188475 [0,2,0,0,0,0|0,0,2]=4 5608 B15R0.384 CCOC(=O)COCCCNCC(C)CC 2230a_100020588543_100009893628 [0,2,0,0,0,0|1,0,1]=4 5609 B15R0.384 CCOC(=O)COCCCNCC(O)CC 2230a_100011218483_100009893628 [0,2,0,0,0,0|1,0,1]=4 5610 B15R0.384 CCOC(=O)COCCCOC[C@@H](C)CC 7a_100009816381_100009893628 [0,2,0,0,0,0|1,0,1]=4 5611 B15R0.384 CCOC(=O)COCCCSCC(C)CC 62a_100000748023_100009893628 [0,2,0,0,0,0|1,0,1]=4 5612 B15R0.384 CCOC(=O)COCCCSCC(C)CC 62a_100009893628_100000748023 [0,2,0,0,0,0|1,0,1]=4 5613 B15R0.384 CCOC(=O)COCCCSCC(O)CC 62a_100009893628_100011218378 [0,2,0,0,0,0|1,0,1]=4 5614 B15R0.384 CCOC(=O)COCCCSCC(O)CC 62a_100011218378_100009893628 [0,2,0,0,0,0|1,0,1]=4 5615 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CC 62a_100009816398_100009893628 [0,2,0,0,0,0|1,0,1]=4 5616 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CC 62a_100009893628_100009816398 [0,2,0,0,0,0|1,0,1]=4 5617 B15R0.384 CCOC(=O)COCCNCCC(C)CC 2230a_100020591266_100000088970 [0,2,0,0,0,0|1,0,1]=4 5618 B15R0.384 CCOC(=O)COCCOCCC(C)CC 7a_100011215188_100000088970 [0,2,0,0,0,0|1,0,1]=4 5619 B15R0.384 CCOC(=O)NCCOCCCC(C)CC 7a_100011216074_200011445536 [0,2,0,0,0,0|1,0,1]=4 5620 B15R0.2002 C#CCCC(=O)C=CCCCCCCCC 1458a_100015345288_100000753159 [0,2,0,0,0,0|1,0,1]=4 5621 B15R0.2002 C#CCNC(=O)C=CCCCCCCCC 11a_100000212058_100015345288 [0,2,0,0,0,0|1,0,1]=4 5622 B15R0.2002 C#CCNC(=O)C=CCCCCCCCC 1626a_100000212058_100015345288 [0,2,0,0,0,0|1,0,1]=4 5623 B15R0.2002 C#CCNC(=O)C=CCCCCCCCC 240690a_100000212058_100015345288 [0,2,0,0,0,0|1,0,1]=4 5624 B15R0.2002 C#CCNC(=O)C=CCCCCCCCO 1626a_100000212058_100016988705 [0,2,0,0,0,0|1,0,1]=4 5625 B15R0.2002 C#CCNC(=O)C=CCCCCCCCO 240690a_100000212058_100016988705 [0,2,0,0,0,0|1,0,1]=4 5626 B15R0.2002 C/C=C/CC(=O)C=CCCCCCCCC 1458a_100015345288_100102629194 [0,2,0,0,0,0|1,0,1]=4 5627 B15R0.2002 C=CCCC(=O)C=CCCCCCCCC 1458a_100015345288_100000754431 [0,2,0,0,0,0|1,0,1]=4 5628 B15R0.2002 C=CCNC(=O)C=CCCCCCCCC 1626a_100020586998_100015345288 [0,2,0,0,0,0|1,0,1]=4 5629 B15R0.2002 C=CCNC(=O)C=CCCCCCCCC 240690a_100020586998_100015345288 [0,2,0,0,0,0|1,0,1]=4 5630 B15R0.2002 C=CCNC(=O)C=CCCCCCCCO 1626a_100020586998_100016988705 [0,2,0,0,0,0|1,0,1]=4 5631 B15R0.2002 C=CCNC(=O)C=CCCCCCCCO 240690a_100020586998_100016988705 [0,2,0,0,0,0|1,0,1]=4 5632 B15R0.2002 CC#CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000748600 [0,2,0,0,0,0|1,0,1]=4 5633 B15R0.2002 CC=CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000070051 [0,2,0,0,0,0|1,0,1]=4 5634 B15R0.2002 CCCCCCCC=NNC(=O)CCCC 4a_100000189769_100000210592 [0,2,0,0,0,0|2,0,0]=4 5635 B15R0.2002 CCCCCCCC=NNC(=O)CCOC 4a_100011260505_100000210592 [0,2,0,0,0,0|2,0,0]=4 5636 B15R0.2002 CCCCCCCC=NNC(=O)COCC 4a_100000216846_100000210592 [0,2,0,0,0,0|1,0,0]=3 5637 B15R0.2002 CCCCCCCCC=CC(=O)CCC#N 1458a_100015345288_100011215226 [0,2,0,0,0,0|1,0,1]=4 5638 B15R0.2002 CCCCCCCCC=CC(=O)CCCC 1458a_100015345288_100000210211 [0,2,0,0,0,0|1,0,0]=3 5639 B15R0.2002 CCCCCCCCC=CC(=O)CCCF 1458a_100015345288_100011934791 [0,2,0,0,0,0|1,0,0]=3 5640 B15R0.2002 CCCCCCCCC=CC(=O)CCCO 1458a_100015345288_100011215043 [0,2,0,0,0,0|1,0,0]=3 5641 B15R0.2002 CCCCCCCCC=CC(=O)CCOC 1458a_100015345288_100000233755 [0,2,0,0,0,0|1,0,0]=3 5642 B15R0.2002 CCCCCCCCC=CC(=O)CCSC 1458a_100015345288_100000751147 [0,2,0,0,0,0|1,0,0]=3 5643 B15R0.2002 CCCCCCCCC=CC(=O)NCC#N 1626a_100000734998_100015345288 [0,2,0,0,0,0|1,0,1]=4 5644 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 11a_100020643023_100015345288 [0,2,0,0,0,0|1,0,0]=3 5645 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 1626a_100020643023_100015345288 [0,2,0,0,0,0|1,0,0]=3 5646 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 240690a_100020643023_100015345288 [0,2,0,0,0,0|1,0,0]=3 5647 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 11a_100000724931_100015345288 [0,2,0,0,0,0|1,0,0]=3 5648 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 1626a_100000724931_100015345288 [0,2,0,0,0,0|1,0,0]=3 5649 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 240690a_100000724931_100015345288 [0,2,0,0,0,0|1,0,0]=3 5650 B15R0.2002 CCCCCCCCC=CC(=O)NCCO 240690a_100000210304_100015345288 [0,2,0,0,0,0|1,0,0]=3 5651 B15R0.2002 CCCCCCCCC=CC(=O)NNCC 22a_100000756455_100015345288 [0,2,0,0,0,0|1,0,0]=3 5652 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [0,2,0,0,0,0|0,0,2]=4 5653 B15R0.2002 CCCCCCCCCNC(=O)COCC 11a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5654 B15R0.2002 CCCCCCCCCNC(=O)COCC 1626a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5655 B15R0.2002 CCCCCCCCCNC(=O)COCC 240690a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5656 B15R0.2002 CCCCCCCCCNC(=O)COCC 527a_100000212291_100000211967 [0,2,0,0,0,0|0,0,2]=4 5657 B15R0.2002 CCCCCCCCNCC(=O)OCCC 2230a_100000229939_200011215008 [0,2,0,0,0,0|0,0,2]=4 5658 B15R0.2002 CCCCCCCCNCC(=O)OCCC 34a_100000229939_200011215008 [0,2,0,0,0,0|0,0,2]=4 5659 B15R0.2002 CCCCCCCCOCC(=O)OCCC 34a_100000210232_200011215008 [0,2,0,0,0,0|0,0,2]=4 5660 B15R0.2002 CCCCCCCCOCC(=O)OCCC 7a_100000210232_200011215008 [0,2,0,0,0,0|0,0,2]=4 5661 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_100000210759_200011215008 [0,2,0,0,0,0|0,0,2]=4 5662 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210317 [0,2,0,0,0,0|0,0,2]=4 5663 B15R0.2002 CCCCCCCOCOC(=O)OCCC 34a_100000210272_200000139673 [0,2,0,0,0,0|1,0,1]=4 5664 B15R0.2002 CCCCCCCOCOC(=O)OCCC 7a_100000210272_200000139673 [0,2,0,0,0,0|1,0,1]=4 5665 B15R0.2002 CCCCCCCSCOC(=O)OCCC 62a_100000210614_200000139673 [0,2,0,0,0,0|1,0,1]=4 5666 B15R0.2002 CCCCCNCCOCC(=O)OCCC 34a_100000224656_200011215008 [0,2,0,0,0,0|1,0,1]=4 5667 B15R0.2002 CCCCCOCCOCC(=O)OCCC 34a_100011215259_200011215008 [0,2,0,0,0,0|1,0,1]=4 5668 B15R0.2002 CCCCCOCCOCC(=O)OCCC 7a_100011215259_200011215008 [0,2,0,0,0,0|1,0,1]=4 5669 B15R0.2002 CCCCOCCCNCC(=O)OCCC 2230a_200000211371_200011215008 [0,2,0,0,0,0|1,0,1]=4 5670 B15R0.2002 CCCCOCCCNCC(=O)OCCC 34a_200000211371_200011215008 [0,2,0,0,0,0|1,0,1]=4 5671 B15R0.2002 CCCCOCCCOCC(=O)OCCC 34a_200011215613_200011215008 [0,2,0,0,0,0|1,0,1]=4 5672 B15R0.2002 CCCCOCCCOCC(=O)OCCC 7a_200011215613_200011215008 [0,2,0,0,0,0|1,0,1]=4 5673 B15R0.2002 CCCNC(=O)C=CCCCCCCCO 1626a_100020643023_100016988705 [0,2,0,0,0,0|1,0,0]=3 5674 B15R0.2002 CCCNC(=O)C=CCCCCCCCO 240690a_100020643023_100016988705 [0,2,0,0,0,0|1,0,0]=3 5675 B15R0.2002 CCCOC(=O)CNCCCCCCCO 2230a_100011996573_200011215008 [0,2,0,0,0,0|1,0,1]=4 5676 B15R0.2002 CCCOC(=O)CNCCCCCCCO 34a_100011996573_200011215008 [0,2,0,0,0,0|1,0,1]=4 5677 B15R0.2002 CCCOC(=O)COCCCCCCCBr 34a_100000760002_200011215008 [0,2,0,0,0,0|1,0,1]=4 5678 B15R0.2002 CCCOC(=O)COCCCCCCCBr 7a_100000760002_200011215008 [0,2,0,0,0,0|1,0,1]=4 5679 B15R0.2002 CCCOC(=O)COCCCCCCCN 34a_100011996573_200011215008 [0,2,0,0,0,0|1,0,1]=4 5680 B15R0.2002 CCCOC(=O)COCCCCCCOC 34a_200012092642_200011215008 [0,2,0,0,0,0|1,0,1]=4 5681 B15R0.2002 CCCOC(=O)COCCCCCCOC 7a_200012092642_200011215008 [0,2,0,0,0,0|1,0,1]=4 5682 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_100000760002_200011215008 [0,2,0,0,0,0|1,0,1]=4 5683 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_200011215008_100000760002 [0,2,0,0,0,0|1,0,1]=4 5684 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_100011998445_200011215008 [0,2,0,0,0,0|1,0,1]=4 5685 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_200011215008_100011998445 [0,2,0,0,0,0|1,0,1]=4 5686 B15R0.2002 CCNNC(=O)C=CCCCCCCCO 22a_100000756455_100016988705 [0,2,0,0,0,0|1,0,0]=3 5687 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [0,2,0,0,0,0|0,0,2]=4 5688 B15R0.2002 CCOCC(=O)NCCCCCCCCO 240690a_102515433106_100000211967 [0,2,0,0,0,0|1,0,1]=4 5689 B15R0.2002 N#CCNC(=O)C=CCCCCCCCO 1626a_100000734998_100016988705 [0,2,0,0,0,0|1,0,1]=4 5690 B15R0.2002 O=C(C=CCCCCCCCO)NCCF 1626a_100000724931_100016988705 [0,2,0,0,0,0|1,0,0]=3 5691 B15R0.2002 O=C(C=CCCCCCCCO)NCCF 240690a_100000724931_100016988705 [0,2,0,0,0,0|1,0,0]=3 5692 B15R0.2002 O=C(C=CCCCCCCCO)NCCO 240690a_100000210304_100016988705 [0,2,0,0,0,0|1,0,0]=3 5693 B15R0.110 CCOC(=O)/C=C/CN(C)CCCN(C)C 269982a_100000225831_100016267167 [0,2,0,0,0,0|2,0,0]=4 5694 B15R0.210 CCCOC(=O)CNCCCCCC(C)C 2230a_100011290863_200011215008 [0,2,0,0,0,0|1,0,1]=4 5695 B15R0.210 CCCOC(=O)CNCCCCCC(C)C 34a_100011290863_200011215008 [0,2,0,0,0,0|1,0,1]=4 5696 B15R0.210 CCCOC(=O)COCCCCCC(C)C 34a_100011995859_200011215008 [0,2,0,0,0,0|1,0,1]=4 5697 B15R0.210 CCCOC(=O)COCCCCCC(C)C 7a_100011995859_200011215008 [0,2,0,0,0,0|1,0,1]=4 5698 B15R0.210 CCCOC(=O)CSCCCCCC(C)C 62a_100000210682_200011215008 [0,2,0,0,0,0|1,0,1]=4 5699 B15R0.210 CCCOC(=O)CSCCCCCC(C)C 62a_200011215008_100000210682 [0,2,0,0,0,0|1,0,1]=4 5700 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211967 [0,2,0,0,0,0|1,0,1]=4 5701 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211967 [0,2,0,0,0,0|1,0,1]=4 5702 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211967 [0,2,0,0,0,0|1,0,1]=4 5703 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211967 [0,2,0,0,0,0|1,0,1]=4 5704 B15R0.1737 CCOC(=O)/C=C/CNCCCC(F)(F)F 2230a_100000727188_100016267167 [0,2,0,0,0,0|2,0,0]=4 5705 B15R0.1737 CCOC(=O)/C=C/CNCCCC(F)(F)F 34a_100000727188_100016267167 [0,2,0,0,0,0|2,0,0]=4 5706 B15R0.1737 CCOC(=O)/C=C/CNCCCS(=O)(=O)C 2230a_100000742409_100016267167 [0,2,0,0,0,0|2,0,0]=4 5707 B15R0.1737 CCOC(=O)/C=C/CNCCCS(=O)(=O)C 34a_100000742409_100016267167 [0,2,0,0,0,0|2,0,0]=4 5708 B15R0.1737 CCOC(=O)/C=C/CNCCOC(C)(C)C 2230a_100000747557_100016267167 [0,2,0,0,0,0|2,0,0]=4 5709 B15R0.1737 CCOC(=O)/C=C/CNCCSC(C)(C)C 2230a_100000689375_100016267167 [0,2,0,0,0,0|2,0,0]=4 5710 B15R0.1737 CCOC(=O)/C=C/COCCCC(F)(F)F 34a_100000749235_100016267167 [0,2,0,0,0,0|2,0,0]=4 5711 B15R0.1737 CCOC(=O)/C=C/COCCCS(=O)(=O)C 34a_100000689940_100016267167 [0,2,0,0,0,0|2,0,0]=4 5712 B15R0.1737 CCOC(=O)/C=C/COCCCS(=O)(=O)C 7a_100000689940_100016267167 [0,2,0,0,0,0|2,0,0]=4 5713 B15R0.1737 CCOC(=O)/C=C/COCCC[Si](C)(C)C 7a_200011215415_100016267167 [0,2,0,0,0,0|1,1,0]=4 5714 B15R0.1737 CCOC(=O)/C=C/COCCOC(C)(C)C 34a_100000693234_100016267167 [0,2,0,0,0,0|2,0,0]=4 5715 B15R0.1737 CCOC(=O)/C=C/COCCOC(C)(C)C 7a_100000693234_100016267167 [0,2,0,0,0,0|2,0,0]=4 5716 B15R0.1737 CCOC(=O)/C=C/CSCCCC(C)(C)O 62a_100009888830_100016267167 [0,2,0,0,0,0|1,0,0]=3 5717 B15R0.1737 CCOC(=O)/C=C/CSCCCC(C)(C)O 62a_100016267167_100009888830 [0,2,0,0,0,0|1,0,0]=3 5718 B15R0.1737 CCOC(=O)/C=C/CSCCCC(F)(F)F 62a_100011216173_100016267167 [0,2,0,0,0,0|2,0,0]=4 5719 B15R0.1737 CCOC(=O)/C=C/CSCCCC(F)(F)F 62a_100016267167_100011216173 [0,2,0,0,0,0|2,0,0]=4 5720 B15R0.1737 CCOC(=O)/C=C/CSCCCS(=O)(=O)C 62a_100000754308_100016267167 [0,2,0,0,0,0|2,0,0]=4 5721 B15R0.1737 CCOC(=O)/C=C/CSCCCS(=O)(=O)C 62a_100016267167_100000754308 [0,2,0,0,0,0|2,0,0]=4 5722 B15R0.1737 CCOC(=O)/C=C/CSCCC[N+](C)(C)C 62a_100016267167_100016990835 [0,2,0,0,0,0|2,0,0]=4 5723 B15R0.1737 CCOC(=O)/C=C/CSCCC[N+](C)(C)C 62a_100016990835_100016267167 [0,2,0,0,0,0|2,0,0]=4 5724 B15R0.1737 CCOC(=O)/C=C/CSCCC[Si](C)(C)C 62a_100011219597_100016267167 [0,2,0,0,0,0|1,1,0]=4 5725 B15R0.1737 CCOC(=O)/C=C/CSCCC[Si](C)(C)C 62a_100016267167_100011219597 [0,2,0,0,0,0|1,1,0]=4 5726 B15R0.1737 CCOC(=O)CSCCCCCC(C)(C)O 62a_100000188475_100010402123 [0,2,0,0,0,0|1,0,1]=4 5727 B15R0.1737 CCOC(=O)CSCCCCCC(C)(C)O 62a_100010402123_100000188475 [0,2,0,0,0,0|1,0,1]=4 5728 B15R0.88 C=C(C)CCC(=O)C=CCCCCCCC 1458a_200015332781_100000730704 [0,2,0,0,0,0|1,0,0]=3 5729 B15R0.88 C=C(C)CNC(=O)C=CCCCCCCC 11a_100000765925_200015332781 [0,2,0,0,0,0|1,0,0]=3 5730 B15R0.88 C=C(C)CNC(=O)C=CCCCCCCC 1626a_100000765925_200015332781 [0,2,0,0,0,0|1,0,0]=3 5731 B15R0.88 C=C(C)CNC(=O)C=CCCCCCCC 240690a_100000765925_200015332781 [0,2,0,0,0,0|1,0,0]=3 5732 B15R0.88 CCCCCCCC=CC(=O)CC=C(C)C 1458a_200015332781_100000761012 [0,2,0,0,0,0|1,0,1]=4 5733 B15R0.88 CCCCCCCC=CC(=O)CCC(C)C 1458a_200015332781_100000210312 [0,2,0,0,0,0|1,0,0]=3 5734 B15R0.88 CCCCCCCC=CC(=O)CCC(C)O 1458a_200015332781_100012276601 [0,2,0,0,0,0|1,0,0]=3 5735 B15R0.88 CCCCCCCC=CC(=O)NCC(=O)N 11a_100000711301_200015332781 [0,2,0,0,0,0|1,0,1]=4 5736 B15R0.88 CCCCCCCC=CC(=O)NCC(=O)N 240690a_100000711301_200015332781 [0,2,0,0,0,0|1,0,1]=4 5737 B15R0.88 CCCCCCCC=CC(=O)NCC(C)C 11a_100000210953_200015332781 [0,2,0,0,0,0|1,0,0]=3 5738 B15R0.88 CCCCCCCC=CC(=O)NCC(C)C 1626a_100000210953_200015332781 [0,2,0,0,0,0|1,0,0]=3 5739 B15R0.88 CCCCCCCC=CC(=O)NCC(C)C 240690a_100000210953_200015332781 [0,2,0,0,0,0|1,0,0]=3 5740 B15R0.88 CCCCCCCC=CC(=O)NCC(C)O 11a_100000210904_200015332781 [0,2,0,0,0,0|1,0,0]=3 5741 B15R0.88 CCCCCCCC=CC(=O)NCC(C)O 240690a_100000210904_200015332781 [0,2,0,0,0,0|1,0,0]=3 5742 B15R0.88 CCCCCCCC=CC(=O)NCC(F)F 11a_100000765723_200015332781 [0,2,0,0,0,0|1,0,0]=3 5743 B15R0.88 CCCCCCCC=CC(=O)NCC(F)F 1626a_100000765723_200015332781 [0,2,0,0,0,0|1,0,0]=3 5744 B15R0.88 CCCCCCCC=CC(=O)NCC(F)F 240690a_100000765723_200015332781 [0,2,0,0,0,0|1,0,0]=3 5745 B15R0.88 CCCCCCCC=CC(=O)NNC(=O)C 22a_100000189765_200015332781 [0,2,0,0,0,0|1,0,1]=4 5746 B15R0.88 CCCCCCCC=CC(=O)NNC(C)C 22a_100000741168_200015332781 [0,2,0,0,0,0|1,0,0]=3 5747 B15R0.88 CCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210670 [0,2,0,0,0,0|0,0,2]=4 5748 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|0,0,2]=4 5749 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_200010990708 [0,2,0,0,0,0|0,0,2]=4 5750 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_200010990708 [0,2,0,0,0,0|0,0,2]=4 5751 B15R0.88 CCCCCCCCNC(=O)COC(C)C 11a_100000229939_100000745533 [0,2,0,0,0,0|1,0,1]=4 5752 B15R0.88 CCCCCCCCNC(=O)COC(C)C 1626a_100000229939_100000745533 [0,2,0,0,0,0|1,0,1]=4 5753 B15R0.88 CCCCCCCCNC(=O)COC(C)C 240690a_100000229939_100000745533 [0,2,0,0,0,0|1,0,1]=4 5754 B15R0.88 CCCCCCCCNC(=O)COC(C)C 527a_100000229939_100000745533 [0,2,0,0,0,0|1,0,1]=4 5755 B15R0.322 C#CCCCC(=O)C=CCCCCCCC 1458a_200015332781_100000731252 [0,2,0,0,0,0|1,0,0]=3 5756 B15R0.322 C#CCCNC(=O)C=CCCCCCCC 11a_100000755551_200015332781 [0,2,0,0,0,0|1,0,0]=3 5757 B15R0.322 C#CCCNC(=O)C=CCCCCCCC 1626a_100000755551_200015332781 [0,2,0,0,0,0|1,0,0]=3 5758 B15R0.322 C#CCCNC(=O)C=CCCCCCCC 240690a_100000755551_200015332781 [0,2,0,0,0,0|1,0,0]=3 5759 B15R0.322 C=CCCCC(=O)C=CCCCCCCC 1458a_200015332781_100000757094 [0,2,0,0,0,0|1,0,0]=3 5760 B15R0.322 C=CCCNC(=O)C=CCCCCCCC 11a_100015191253_200015332781 [0,2,0,0,0,0|1,0,0]=3 5761 B15R0.322 C=CCCNC(=O)C=CCCCCCCC 1626a_100015191253_200015332781 [0,2,0,0,0,0|1,0,0]=3 5762 B15R0.322 C=CCCNC(=O)C=CCCCCCCC 240690a_100015191253_200015332781 [0,2,0,0,0,0|1,0,0]=3 5763 B15R0.322 C=CCNNC(=O)C=CCCCCCCC 22a_100020588587_200015332781 [0,2,0,0,0,0|1,0,1]=4 5764 B15R0.322 C=COCCC(=O)C=CCCCCCCC 1458a_200015332781_100000039644 [0,2,0,0,0,0|0,0,2]=4 5765 B15R0.322 CC#CCNC(=O)C=CCCCCCCC 11a_100000685387_200015332781 [0,2,0,0,0,0|1,0,0]=3 5766 B15R0.322 CC#CCNC(=O)C=CCCCCCCC 1626a_100000685387_200015332781 [0,2,0,0,0,0|1,0,0]=3 5767 B15R0.322 CC/C=C\CC(=O)C=CCCCCCCC 1458a_200015332781_100103147603 [0,2,0,0,0,0|1,0,0]=3 5768 B15R0.322 CCC#CCC(=O)C=CCCCCCCC 1458a_200015332781_100009813939 [0,2,0,0,0,0|1,0,0]=3 5769 B15R0.322 CCCCCC/C=C/CC(=O)CCOCC 1458a_100020681715_100011215890 [0,2,0,0,0,0|0,0,2]=4 5770 B15R0.322 CCCCCCCC=CC(=O)CC#CCO 1458a_200015332781_200000047223 [0,2,0,0,0,0|1,0,1]=4 5771 B15R0.322 CCCCCCCC=CC(=O)CCCC#N 1458a_200015332781_100000211468 [0,2,0,0,0,0|1,0,0]=3 5772 B15R0.322 CCCCCCCC=CC(=O)CCCCC 1458a_200015332781_100000210326 [0,2,0,0,0,0|1,0,0]=3 5773 B15R0.322 CCCCCCCC=CC(=O)CCCCF 1458a_200015332781_100000729493 [0,2,0,0,0,0|1,0,0]=3 5774 B15R0.322 CCCCCCCC=CC(=O)CCCCO 1458a_200015332781_100000210776 [0,2,0,0,0,0|1,0,0]=3 5775 B15R0.322 CCCCCCCC=CC(=O)CCCOC 1458a_200015332781_100000740836 [0,2,0,0,0,0|1,0,0]=3 5776 B15R0.322 CCCCCCCC=CC(=O)CCOCC 1458a_200015332781_100011215890 [0,2,0,0,0,0|0,0,0]=2 5777 B15R0.322 CCCCCCCC=CC(=O)CCSCC 1458a_200015332781_100000757381 [0,2,0,0,0,0|0,1,0]=3 5778 B15R0.322 CCCCCCCC=CC(=O)NCCC#N 11a_100000720768_200015332781 [0,2,0,0,0,0|1,0,0]=3 5779 B15R0.322 CCCCCCCC=CC(=O)NCCC#N 1626a_100000720768_200015332781 [0,2,0,0,0,0|1,0,0]=3 5780 B15R0.322 CCCCCCCC=CC(=O)NCCC#N 240690a_100000720768_200015332781 [0,2,0,0,0,0|1,0,0]=3 5781 B15R0.322 CCCCCCCC=CC(=O)NCCCC 11a_100000102301_200015332781 [0,2,0,0,0,0|1,0,0]=3 5782 B15R0.322 CCCCCCCC=CC(=O)NCCCC 1626a_100000102301_200015332781 [0,2,0,0,0,0|1,0,0]=3 5783 B15R0.322 CCCCCCCC=CC(=O)NCCCC 240690a_100000102301_200015332781 [0,2,0,0,0,0|1,0,0]=3 5784 B15R0.322 CCCCCCCC=CC(=O)NCCCF 11a_100015189416_200015332781 [0,2,0,0,0,0|1,0,0]=3 5785 B15R0.322 CCCCCCCC=CC(=O)NCCCF 1626a_100015189416_200015332781 [0,2,0,0,0,0|1,0,0]=3 5786 B15R0.322 CCCCCCCC=CC(=O)NCCCF 240690a_100015189416_200015332781 [0,2,0,0,0,0|1,0,0]=3 5787 B15R0.322 CCCCCCCC=CC(=O)NCCCO 240690a_100000182051_200015332781 [0,2,0,0,0,0|1,0,0]=3 5788 B15R0.322 CCCCCCCC=CC(=O)NCCOC 1626a_100000209980_200015332781 [0,2,0,0,0,0|1,0,0]=3 5789 B15R0.322 CCCCCCCC=CC(=O)NCCOC 240690a_100000209980_200015332781 [0,2,0,0,0,0|1,0,0]=3 5790 B15R0.322 CCCCCCCC=CC(=O)NCCSC 11a_100020590264_200015332781 [0,2,0,0,0,0|1,0,0]=3 5791 B15R0.322 CCCCCCCC=CC(=O)NCCSC 1626a_100020590264_200015332781 [0,2,0,0,0,0|1,0,0]=3 5792 B15R0.322 CCCCCCCC=CC(=O)NCCSC 240690a_100020590264_200015332781 [0,2,0,0,0,0|1,0,0]=3 5793 B15R0.322 CCCCCCCC=CC(=O)NNCCC 22a_100000740057_200015332781 [0,2,0,0,0,0|1,0,0]=3 5794 B15R0.322 CCCCCCCC=CC(=O)NNCCO 22a_100000210001_200015332781 [0,2,0,0,0,0|1,0,0]=3 5795 B15R0.322 CCCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210670 [0,2,0,0,0,0|0,0,2]=4 5796 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000210558_100011215890 [0,2,0,0,0,0|0,0,2]=4 5797 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210670 [0,2,0,0,0,0|0,0,2]=4 5798 B15R0.322 CCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210670 [0,2,0,0,0,0|0,0,2]=4 5799 B15R0.322 CCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210670 [0,2,0,0,0,0|0,0,2]=4 5800 B15R0.322 CCCCCCCCCC(=O)OCNCC 2230a_100015525214_200010990708 [0,2,0,0,0,0|0,0,2]=4 5801 B15R0.322 CCCCCCCCCC(=O)OCOCC 34a_100121572206_200010990708 [0,2,0,0,0,0|0,0,2]=4 5802 B15R0.322 CCCCCCCCCC(=O)OCSCC 62a_100000210202_200010990708 [0,2,0,0,0,0|0,0,2]=4 5803 B15R0.322 CCCCCCCCCC(=O)OCSCF 62a_100015361967_200010990708 [0,2,0,0,0,0|0,0,2]=4 5804 B15R0.322 CCCCCCCCNC(=O)C=COCC 11a_100000229939_100016266692 [0,2,0,0,0,0|1,0,1]=4 5805 B15R0.322 CCCCCCCCNC(=O)C=COCC 1626a_100000229939_100016266692 [0,2,0,0,0,0|1,0,1]=4 5806 B15R0.322 CCCCCCCCNC(=O)C=COCC 240690a_100000229939_100016266692 [0,2,0,0,0,0|1,0,1]=4 5807 B15R0.322 CCCCCCCCNC(=O)CCOCC 11a_100000229939_100000749530 [0,2,0,0,0,0|1,0,1]=4 5808 B15R0.322 CCCCCCCCNC(=O)CCOCC 1626a_100000229939_100000749530 [0,2,0,0,0,0|1,0,1]=4 5809 B15R0.322 CCCCCCCCNC(=O)CCOCC 240690a_100000229939_100000749530 [0,2,0,0,0,0|1,0,1]=4 5810 B15R0.322 CCCCCCCCNC(=O)CCOCC 527a_100000229939_100000749530 [0,2,0,0,0,0|1,0,1]=4 5811 B15R0.322 CCCCCCCCNC(=O)COCCC 11a_100000229939_100000745993 [0,2,0,0,0,0|1,0,1]=4 5812 B15R0.322 CCCCCCCCNC(=O)COCCC 1626a_100000229939_100000745993 [0,2,0,0,0,0|1,0,1]=4 5813 B15R0.322 CCCCCCCCNC(=O)COCCC 240690a_100000229939_100000745993 [0,2,0,0,0,0|1,0,1]=4 5814 B15R0.322 CCCCCCCCNC(=O)COCCC 527a_100000229939_100000745993 [0,2,0,0,0,0|1,0,1]=4 5815 B15R0.322 CCCCCCCCNC(=O)COCCO 1626a_100000229939_100000708028 [0,2,0,0,0,0|1,0,1]=4 5816 B15R0.322 CCCCCCCCNC(=O)COCCO 240690a_100000229939_100000708028 [0,2,0,0,0,0|1,0,1]=4 5817 B15R0.322 CCCCCCCNCC(=O)OCCCC 2230a_100000229938_100000211628 [0,2,0,0,0,0|1,0,1]=4 5818 B15R0.322 CCCCCCCNCC(=O)OCCOC 2230a_100000229938_200000040189 [0,2,0,0,0,0|1,0,1]=4 5819 B15R0.322 CCCCCCCOCC(=O)OCCCC 34a_100000210272_100000211628 [0,2,0,0,0,0|1,0,1]=4 5820 B15R0.322 CCCCCCCOCC(=O)OCCCC 7a_100000210272_100000211628 [0,2,0,0,0,0|1,0,1]=4 5821 B15R0.322 CCCCCCCOCC(=O)OCCOC 34a_100000210272_200000040189 [0,2,0,0,0,0|1,0,1]=4 5822 B15R0.322 CCCCCCCOCC(=O)OCCOC 7a_100000210272_200000040189 [0,2,0,0,0,0|1,0,1]=4 5823 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000210614_100000211628 [0,2,0,0,0,0|1,0,1]=4 5824 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210316 [0,2,0,0,0,0|1,0,1]=4 5825 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_100000210614_200000040189 [0,2,0,0,0,0|1,0,1]=4 5826 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210316 [0,2,0,0,0,0|1,0,1]=4 5827 B15R0.1575 CCOC(=O)/C=C/CN(CC)CCCCO 2230a_100011217355_100016267167 [0,2,0,0,0,0|2,0,0]=4 5828 B15R0.1575 CCOC(=O)/C=C/CN(CC)CCCCO 269982a_100011217355_100016267167 [0,2,0,0,0,0|2,0,0]=4 5829 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [1,0,0,1,0,0|1,0,1]=4 5830 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [1,0,0,1,0,0|1,0,0]=3 5831 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [1,0,0,1,0,0|1,0,1]=4 5832 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [1,0,0,1,0,0|1,0,1]=4 5833 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 5834 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 5835 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 5836 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 5837 B13R1.42 CCNC(=O)C=CC1CCCCC1 11a_100015525214_100102566626 [1,0,0,1,0,0|1,0,0]=3 5838 B13R1.42 CCNC(=O)C=CC1CCCCC1 240690a_100015525214_100102566626 [1,0,0,1,0,0|1,0,0]=3 5839 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [1,0,0,1,0,0|1,0,1]=4 5840 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [1,0,0,1,0,0|1,0,1]=4 5841 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [1,0,0,1,0,0|1,0,1]=4 5842 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [1,0,0,1,0,0|2,0,0]=4 5843 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 5844 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [1,0,0,1,0,0|2,0,0]=4 5845 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 5846 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 5847 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [1,0,0,1,0,0|1,0,1]=4 5848 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [1,0,0,1,0,0|1,0,1]=4 5849 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [1,0,0,1,0,0|1,0,1]=4 5850 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [1,0,0,1,0,0|1,0,1]=4 5851 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [1,0,0,1,0,0|1,0,1]=4 5852 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [1,0,0,1,0,0|1,0,1]=4 5853 B13R1.42 CNNC(=O)C=CC1CCCCC1 22a_100016993582_100102566626 [1,0,0,1,0,0|2,0,0]=4 5854 B13R1.42 O=C(C=CC1CCCCC1)CCF 1458a_100102566626_100011217306 [1,0,0,1,0,0|2,0,0]=4 5855 B13R1.42 O=C(C=CC1CCCCC1)CCO 1458a_100102566626_100000211926 [1,0,0,1,0,0|2,0,0]=4 5856 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [1,0,0,1,0,0|1,0,1]=4 5857 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [1,0,0,1,0,0|1,0,1]=4 5858 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [1,0,0,1,0,0|1,0,1]=4 5859 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [1,0,0,1,0,0|1,0,1]=4 5860 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 5861 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 5862 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 5863 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 5864 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 5865 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 5866 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 5867 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 5868 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 5869 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 5870 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 2230a_100000188435_100016267167 [1,0,0,1,0,0|1,0,0]=3 5871 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 269982a_100000188435_100016267167 [1,0,0,1,0,0|1,0,0]=3 5872 B13R1.404 CCOC(=O)/C=C/CN1CCSC1 2230a_100011215254_100016267167 [1,0,0,1,0,0|2,0,0]=4 5873 B13R1.404 CCOC(=O)/C=C/CN1CCSC1 269982a_100011215254_100016267167 [1,0,0,1,0,0|2,0,0]=4 5874 B13R1.404 CCOC(=O)C=NNC1CCCC1 4a_100000737850_100000742314 [1,0,0,1,0,0|2,0,0]=4 5875 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [1,0,0,1,0,0|1,0,1]=4 5876 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [1,0,0,1,0,0|1,0,1]=4 5877 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [1,0,0,1,0,0|1,0,1]=4 5878 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [1,0,0,1,0,0|1,0,1]=4 5879 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [1,0,0,1,0,0|1,0,1]=4 5880 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [1,0,0,1,0,0|1,0,1]=4 5881 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [1,0,0,1,0,0|1,0,1]=4 5882 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [1,0,0,1,0,0|1,0,1]=4 5883 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [1,0,0,1,0,0|1,0,1]=4 5884 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [1,0,0,1,0,0|1,0,1]=4 5885 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [1,0,0,1,0,0|1,0,1]=4 5886 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [1,0,0,1,0,0|1,0,1]=4 5887 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [1,0,0,1,0,0|1,0,1]=4 5888 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [1,0,0,1,0,0|1,0,1]=4 5889 B13R1.404 CCOC(=O)NCCN1CCCC1 269982a_100000188435_200011445536 [1,0,0,1,0,0|2,0,0]=4 5890 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [1,0,0,1,0,0|2,0,0]=4 5891 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [1,0,0,1,0,0|1,0,1]=4 5892 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [1,0,0,1,0,0|1,0,1]=4 5893 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [1,0,0,1,0,0|1,0,1]=4 5894 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [1,0,0,1,0,0|1,0,1]=4 5895 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [1,0,0,1,0,0|1,0,1]=4 5896 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [1,0,0,1,0,0|1,0,1]=4 5897 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [1,0,0,1,0,0|1,0,1]=4 5898 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [1,0,0,1,0,0|1,0,1]=4 5899 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [1,0,0,1,0,0|1,0,1]=4 5900 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [1,0,0,1,0,0|1,0,1]=4 5901 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@@H]1F 2230a_100015190264_100016267167 [1,0,0,1,0,0|2,0,0]=4 5902 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@H]1F 2230a_100025746932_100016267167 [1,0,0,1,0,0|2,0,0]=4 5903 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@H]1F 34a_100025746932_100016267167 [1,0,0,1,0,0|2,0,0]=4 5904 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [1,0,0,1,0,0|1,0,1]=4 5905 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [1,0,0,1,0,0|1,0,1]=4 5906 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 2230a_100000749019_100016267167 [1,0,0,1,0,0|1,0,0]=3 5907 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 34a_100000749019_100016267167 [1,0,0,1,0,0|1,0,0]=3 5908 B13R1.448 CCOC(=O)/C=C/CNC1COC1 2230a_100016991112_100016267167 [1,0,0,1,0,0|2,0,0]=4 5909 B13R1.448 CCOC(=O)/C=C/COC1CCC1 34a_100000748187_100016267167 [1,0,0,1,0,0|1,0,0]=3 5910 B13R1.448 CCOC(=O)/C=C/COC1CSC1 7a_100000072292_100016267167 [1,0,0,1,0,0|2,0,0]=4 5911 B13R1.448 CCOC(=O)/C=C/CSC1CCC1 62a_100016267167_100000749161 [1,0,0,1,0,0|1,0,0]=3 5912 B13R1.448 CCOC(=O)/C=C/CSC1COC1 62a_100016267167_100009818527 [1,0,0,1,0,0|2,0,0]=4 5913 B13R1.448 CCOC(=O)C=NNCC1CCC1 4a_200020586977_100000742314 [1,0,0,1,0,0|2,0,0]=4 5914 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [1,0,0,1,0,0|1,0,1]=4 5915 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [1,0,0,1,0,0|1,0,1]=4 5916 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [1,0,0,1,0,0|1,0,1]=4 5917 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [1,0,0,1,0,0|1,0,1]=4 5918 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [1,0,0,1,0,0|1,0,1]=4 5919 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [1,0,0,1,0,0|1,0,1]=4 5920 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [1,0,0,1,0,0|1,0,1]=4 5921 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [1,0,0,1,0,0|1,0,1]=4 5922 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [1,0,0,1,0,0|1,0,1]=4 5923 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [1,0,0,1,0,0|1,0,1]=4 5924 B13R1.448 CCOC(=O)NCCOC1CCC1 34a_100000158857_100000749161 [1,0,0,1,0,0|2,0,0]=4 5925 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [1,0,0,1,0,0|2,0,0]=4 5926 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 2230a_100000735609_100016267167 [1,0,0,1,0,0|1,0,0]=3 5927 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 34a_100000735609_100016267167 [1,0,0,1,0,0|1,0,0]=3 5928 B13R1.453 CCOC(=O)/C=C/COCC1CC1 34a_100000211283_100016267167 [1,0,0,1,0,0|1,0,0]=3 5929 B13R1.453 CCOC(=O)/C=C/COC[C@@H]1CO1 34a_100000757423_100016267167 [1,0,0,1,0,0|2,0,0]=4 5930 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100000756562_100016267167 [1,0,0,1,0,0|1,0,0]=3 5931 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100016267167_100000742324 [1,0,0,1,0,0|1,0,0]=3 5932 B13R1.453 CCOC(=O)/C=C/CSCC1CO1 62a_100016267167_102125554688 [1,0,0,1,0,0|2,0,0]=4 5933 B13R1.453 CCOC(=O)/C=C/CSCC1CO1 62a_102125554688_100016267167 [1,0,0,1,0,0|2,0,0]=4 5934 B13R1.453 CCOC(=O)/C=C/CSCC1CS1 62a_100000031435_100016267167 [1,0,0,1,0,0|2,0,0]=4 5935 B13R1.453 CCOC(=O)/C=C/CSCC1CS1 62a_100016267167_100000031435 [1,0,0,1,0,0|2,0,0]=4 5936 B13R1.453 CCOC(=O)/C=C/CSC[C@@H]1CO1 62a_100000745022_100016267167 [1,0,0,1,0,0|2,0,0]=4 5937 B13R1.453 CCOC(=O)/C=C/CSC[C@@H]1CO1 62a_100016267167_100000745022 [1,0,0,1,0,0|2,0,0]=4 5938 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [1,0,0,1,0,0|1,0,1]=4 5939 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [1,0,0,1,0,0|1,0,1]=4 5940 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [1,0,0,1,0,0|1,0,1]=4 5941 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [1,0,0,1,0,0|1,0,1]=4 5942 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [1,0,0,1,0,0|1,0,1]=4 5943 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [1,0,0,1,0,0|1,0,1]=4 5944 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [1,0,0,1,0,0|1,0,1]=4 5945 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [1,0,0,1,0,0|1,0,1]=4 5946 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [1,0,0,1,0,0|1,0,1]=4 5947 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [1,0,0,1,0,0|1,0,1]=4 5948 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [1,0,0,1,0,0|1,0,1]=4 5949 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [1,0,0,1,0,0|1,0,1]=4 5950 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [1,0,0,1,0,0|1,0,1]=4 5951 B13R1.453 CCOC(=O)NCCOCC1CC1 34a_100000158857_100000742324 [1,0,0,1,0,0|2,0,0]=4 5952 B13R1.453 CCOC(=O)NCCSCC1CC1 62a_100000756562_200011445536 [1,0,0,1,0,0|2,0,0]=4 5953 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [1,0,0,1,0,0|2,0,0]=4 5954 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 269982a_100000755817_100016267167 [1,0,0,1,0,0|1,0,0]=3 5955 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 34a_100000755817_100016267167 [1,0,0,1,0,0|1,0,0]=3 5956 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [1,0,0,1,0,0|1,0,1]=4 5957 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [1,0,0,1,0,0|1,0,1]=4 5958 B13R1.461 CCOC(=O)NCCN1CCC1C 269982a_100000755817_200011445536 [1,0,0,1,0,0|2,0,0]=4 5959 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 5960 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 5961 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 5962 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 5963 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [1,0,0,1,0,0|2,0,0]=4 5964 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [1,0,0,1,0,0|2,0,0]=4 5965 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [1,0,0,1,0,0|1,0,1]=4 5966 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [1,0,0,1,0,0|1,0,1]=4 5967 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [1,0,0,1,0,0|1,0,1]=4 5968 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [1,0,0,1,0,0|1,0,1]=4 5969 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 5970 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 5971 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 5972 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 5973 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 5974 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 5975 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 5976 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 5977 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 5978 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 5979 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [1,0,0,1,0,0|1,0,1]=4 5980 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [1,0,0,1,0,0|1,0,1]=4 5981 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [1,0,0,1,0,0|1,0,1]=4 5982 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [1,0,0,1,0,0|1,0,1]=4 5983 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [1,0,0,1,0,0|1,0,1]=4 5984 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [1,0,0,1,0,0|1,0,1]=4 5985 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [1,0,0,1,0,0|1,0,1]=4 5986 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|1,0,1]=4 5987 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|1,0,1]=4 5988 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|1,0,1]=4 5989 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|1,0,1]=4 5990 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|1,0,1]=4 5991 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 5992 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 5993 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 5994 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 5995 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [1,0,0,1,0,0|2,0,0]=4 5996 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [1,0,0,1,0,0|2,0,0]=4 5997 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [1,0,0,1,0,0|1,0,0]=3 5998 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [1,0,0,1,0,0|1,0,1]=4 5999 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [1,0,0,1,0,0|1,0,1]=4 6000 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 6001 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 6002 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 6003 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 6004 B13R1.1575 CCNC(=O)C=C1CCCCCC1 11a_100015525214_100011240665 [1,0,0,1,0,0|1,0,0]=3 6005 B13R1.1575 CCNC(=O)C=C1CCCCCC1 240690a_100015525214_100011240665 [1,0,0,1,0,0|1,0,0]=3 6006 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [1,0,0,1,0,0|1,0,1]=4 6007 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [1,0,0,1,0,0|1,0,1]=4 6008 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [1,0,0,1,0,0|1,0,1]=4 6009 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [1,0,0,1,0,0|2,0,0]=4 6010 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 6011 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [1,0,0,1,0,0|2,0,0]=4 6012 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 6013 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 6014 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [1,0,0,1,0,0|1,0,1]=4 6015 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [1,0,0,1,0,0|1,0,1]=4 6016 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [1,0,0,1,0,0|1,0,1]=4 6017 B13R1.1575 CNNC(=O)C=C1CCCCCC1 22a_100016993582_100011240665 [1,0,0,1,0,0|2,0,0]=4 6018 B13R1.1575 O=C(C=C1CCCCCC1)CCF 1458a_100011240665_100011217306 [1,0,0,1,0,0|2,0,0]=4 6019 B13R1.1575 O=C(C=C1CCCCCC1)CCO 1458a_100011240665_100000211926 [1,0,0,1,0,0|2,0,0]=4 6020 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [1,0,0,1,0,0|1,0,1]=4 6021 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 6022 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 6023 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 6024 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 6025 B13R1.27 CCCCCOCC1=CC(=O)OC1 34a_100000210253_100000716558 [1,0,0,1,0,0|1,0,0]=3 6026 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000210326_100000716558 [1,0,0,1,0,0|1,0,0]=3 6027 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210326 [1,0,0,1,0,0|1,0,0]=3 6028 B13R1.27 CCOCCNCC1=CC(=O)OC1 34a_102516460346_100000716558 [1,0,0,1,0,0|2,0,0]=4 6029 B13R1.27 CCOCCOCC1=CC(=O)OC1 34a_100000210136_100000716558 [1,0,0,1,0,0|2,0,0]=4 6030 B13R1.27 CCOCCSCC1=CC(=O)OC1 62a_100000210147_100000716558 [1,0,0,1,0,0|2,0,0]=4 6031 B13R1.27 CCOCCSCC1=CC(=O)OC1 62a_100000716558_100011215890 [1,0,0,1,0,0|2,0,0]=4 6032 B13R1.27 CCSCCOCC1=CC(=O)OC1 34a_100000212035_100000716558 [1,0,0,1,0,0|2,0,0]=4 6033 B13R1.27 CCSCCSCC1=CC(=O)OC1 62a_100000716558_100000757381 [1,0,0,1,0,0|2,0,0]=4 6034 B13R1.27 CCSCCSCC1=CC(=O)OC1 62a_100000757381_100000716558 [1,0,0,1,0,0|2,0,0]=4 6035 B13R1.27 CNCCCOCC1=CC(=O)OC1 34a_100000213112_100000716558 [1,0,0,1,0,0|2,0,0]=4 6036 B13R1.27 COCCCNCC1=CC(=O)OC1 34a_100150723488_100000716558 [1,0,0,1,0,0|2,0,0]=4 6037 B13R1.27 COCCCOCC1=CC(=O)OC1 34a_100000740835_100000716558 [1,0,0,1,0,0|2,0,0]=4 6038 B13R1.27 COCCCSCC1=CC(=O)OC1 62a_100000709357_100000716558 [1,0,0,1,0,0|2,0,0]=4 6039 B13R1.27 COCCCSCC1=CC(=O)OC1 62a_100000716558_100000709357 [1,0,0,1,0,0|2,0,0]=4 6040 B13R1.27 CSCCCOCC1=CC(=O)OC1 34a_100000690336_100000716558 [1,0,0,1,0,0|2,0,0]=4 6041 B13R1.27 NCCCCOCC1=CC(=O)OC1 34a_100000750430_100000716558 [1,0,0,1,0,0|2,0,0]=4 6042 B13R1.27 O=C1C=C(CO1)CNCCCCO 34a_100000750430_100000716558 [1,0,0,1,0,0|2,0,0]=4 6043 B13R1.27 O=C1C=C(CO1)COCCCCBr 34a_100011216708_100000716558 [1,0,0,1,0,0|2,0,0]=4 6044 B13R1.27 O=C1C=C(CO1)COCCCCCl 34a_100000210776_100000716558 [1,0,0,1,0,0|2,0,0]=4 6045 B13R1.27 O=C1C=C(CO1)COCCCCF 34a_100011995726_100000716558 [1,0,0,1,0,0|2,0,0]=4 6046 B13R1.27 O=C1C=C(CO1)COCCCCI 34a_200012148704_100000716558 [1,0,0,1,0,0|2,0,0]=4 6047 B13R1.27 O=C1C=C(CO1)CSCCCCF 62a_100000716558_100000729493 [1,0,0,1,0,0|2,0,0]=4 6048 B13R1.27 O=C1C=C(CO1)CSCCCCF 62a_100000729493_100000716558 [1,0,0,1,0,0|2,0,0]=4 6049 B13R1.27 O=C1C=C(CO1)CSCCCCO 62a_100000210776_100000716558 [1,0,0,1,0,0|2,0,0]=4 6050 B13R1.27 O=C1C=C(CO1)CSCCCCO 62a_100000716558_100000210776 [1,0,0,1,0,0|2,0,0]=4 6051 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [1,0,0,1,0,0|1,0,1]=4 6052 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [1,0,0,1,0,0|1,0,1]=4 6053 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [1,0,0,1,0,0|1,0,1]=4 6054 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [1,0,0,1,0,0|1,0,1]=4 6055 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [1,0,0,1,0,0|1,0,1]=4 6056 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [1,0,0,1,0,0|1,0,1]=4 6057 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [1,0,0,1,0,0|1,0,1]=4 6058 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [1,0,0,1,0,0|1,0,1]=4 6059 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [1,0,0,1,0,0|1,0,1]=4 6060 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [1,0,0,1,0,0|1,0,1]=4 6061 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [1,0,0,1,0,0|1,0,1]=4 6062 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [1,0,0,1,0,0|1,0,1]=4 6063 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [1,0,0,1,0,0|1,0,1]=4 6064 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [1,0,0,1,0,0|1,0,1]=4 6065 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [1,0,0,1,0,0|1,0,1]=4 6066 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [1,0,0,1,0,0|1,0,1]=4 6067 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [1,0,0,1,0,0|1,0,1]=4 6068 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [1,0,0,1,0,0|1,0,1]=4 6069 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [1,0,0,1,0,0|1,0,1]=4 6070 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [1,0,0,1,0,0|1,0,1]=4 6071 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [1,0,0,1,0,0|1,0,1]=4 6072 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [1,0,0,1,0,0|1,0,1]=4 6073 B13R1.536 COC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100000742655 [1,0,0,1,0,0|1,0,0]=3 6074 B13R1.536 COC(=O)/C=C/CNC1CCCC1 34a_100000211070_100000742655 [1,0,0,1,0,0|1,0,0]=3 6075 B13R1.536 COC(=O)/C=C/CN[C@@H]1CCOC1 2230a_200015188469_100000742655 [1,0,0,1,0,0|2,0,0]=4 6076 B13R1.536 COC(=O)/C=C/CN[C@H]1CCOC1 2230a_100015188467_100000742655 [1,0,0,1,0,0|2,0,0]=4 6077 B13R1.536 COC(=O)/C=C/CN[C@H]1CCOC1 34a_100015188467_100000742655 [1,0,0,1,0,0|2,0,0]=4 6078 B13R1.536 COC(=O)/C=C/COC1CCCC1 34a_100000210269_100000742655 [1,0,0,1,0,0|1,0,0]=3 6079 B13R1.536 COC(=O)/C=C/COC1CCCC1 7a_100000210269_100000742655 [1,0,0,1,0,0|1,0,0]=3 6080 B13R1.536 COC(=O)/C=C/COC1CCCO1 34a_100000085407_100000742655 [1,0,0,1,0,0|2,0,0]=4 6081 B13R1.536 COC(=O)/C=C/COC1CCSC1 7a_100011232664_100000742655 [1,0,0,1,0,0|2,0,0]=4 6082 B13R1.536 COC(=O)/C=C/CO[C@H]1CCOC1 34a_100000717292_100000742655 [1,0,0,1,0,0|2,0,0]=4 6083 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100000742655_100000179811 [1,0,0,1,0,0|1,0,0]=3 6084 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100011217020_100000742655 [1,0,0,1,0,0|1,0,0]=3 6085 B13R1.536 COC(=O)/C=C/CSC1CCOC1 62a_100000742655_100000690089 [1,0,0,1,0,0|2,0,0]=4 6086 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [1,0,0,1,0,0|1,0,1]=4 6087 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [1,0,0,1,0,0|1,0,1]=4 6088 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [1,0,0,1,0,0|1,0,1]=4 6089 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [1,0,0,1,0,0|1,0,1]=4 6090 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [1,0,0,1,0,0|1,0,1]=4 6091 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [1,0,0,1,0,0|1,0,1]=4 6092 B13R1.538 COC(=O)/C=C/COCC1CC1C 34a_100000744939_100000742655 [1,0,0,1,0,0|1,0,0]=3 6093 B13R1.538 COC(=O)/C=C/COCC1CC1C 7a_100000744939_100000742655 [1,0,0,1,0,0|1,0,0]=3 6094 B13R1.539 COC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100000742655 [1,0,0,1,0,0|1,0,0]=3 6095 B13R1.539 COC(=O)/C=C/CNCC1CCC1 34a_100000738700_100000742655 [1,0,0,1,0,0|1,0,0]=3 6096 B13R1.539 COC(=O)/C=C/CNCC1COC1 2230a_100015281925_100000742655 [1,0,0,1,0,0|2,0,0]=4 6097 B13R1.539 COC(=O)/C=C/CNCC1COC1 34a_100015281925_100000742655 [1,0,0,1,0,0|2,0,0]=4 6098 B13R1.539 COC(=O)/C=C/CNC[C@@H]1CCO1 2230a_100020831831_100000742655 [1,0,0,1,0,0|2,0,0]=4 6099 B13R1.539 COC(=O)/C=C/CNC[C@@H]1CCO1 34a_100020831831_100000742655 [1,0,0,1,0,0|2,0,0]=4 6100 B13R1.539 COC(=O)/C=C/COCC1CCC1 34a_100000760304_100000742655 [1,0,0,1,0,0|1,0,0]=3 6101 B13R1.539 COC(=O)/C=C/COCC1CCO1 34a_100000039022_100000742655 [1,0,0,1,0,0|2,0,0]=4 6102 B13R1.539 COC(=O)/C=C/COCC1CNC1 34a_100016987283_100000742655 [1,0,0,1,0,0|2,0,0]=4 6103 B13R1.539 COC(=O)/C=C/COCC1COC1 34a_100000060846_100000742655 [1,0,0,1,0,0|2,0,0]=4 6104 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000742655_100000763275 [1,0,0,1,0,0|1,0,0]=3 6105 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000763275_100000742655 [1,0,0,1,0,0|1,0,0]=3 6106 B13R1.539 COC(=O)/C=C/CSCC1CCO1 62a_100000103362_100000742655 [1,0,0,1,0,0|2,0,0]=4 6107 B13R1.539 COC(=O)/C=C/CSCC1CCO1 62a_100000742655_100000103362 [1,0,0,1,0,0|2,0,0]=4 6108 B13R1.539 COC(=O)/C=C/CSCC1COC1 62a_100000742655_100010264016 [1,0,0,1,0,0|2,0,0]=4 6109 B13R1.539 COC(=O)/C=C/CSCC1COC1 62a_100010264016_100000742655 [1,0,0,1,0,0|2,0,0]=4 6110 B13R1.594 COC(=O)/C=C/CNCCC1CC1 34a_100000764129_100000742655 [1,0,0,1,0,0|1,0,0]=3 6111 B13R1.594 COC(=O)/C=C/COCCC1CC1 34a_100000754188_100000742655 [1,0,0,1,0,0|1,0,0]=3 6112 B13R1.594 COC(=O)/C=C/COCCC1CC1 7a_100000754188_100000742655 [1,0,0,1,0,0|1,0,0]=3 6113 B13R1.594 COC(=O)/C=C/COCC[C@@H]1CO1 34a_100009820653_100000742655 [1,0,0,1,0,0|2,0,0]=4 6114 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000742655_100000764125 [1,0,0,1,0,0|1,0,0]=3 6115 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000764125_100000742655 [1,0,0,1,0,0|1,0,0]=3 6116 B13R1.594 COC(=O)/C=C/CSCCC1CO1 62a_100000732470_100000742655 [1,0,0,1,0,0|2,0,0]=4 6117 B13R1.594 COC(=O)/C=C/CSCCC1CO1 62a_100000742655_100000732470 [1,0,0,1,0,0|2,0,0]=4 6118 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100000742655 [1,0,0,1,0,0|1,0,0]=3 6119 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100000742655 [1,0,0,1,0,0|1,0,0]=3 6120 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100000742655 [1,0,0,1,0,0|1,0,0]=3 6121 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100000742655 [1,0,0,1,0,0|1,0,0]=3 6122 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100000742655 [1,0,0,1,0,0|1,0,0]=3 6123 B13R1.599 COC(=O)/C=C/CN1CCSC1C 2230a_200011216479_100000742655 [1,0,0,1,0,0|2,0,0]=4 6124 B13R1.599 COC(=O)/C=C/CN1CCSC1C 269982a_200011216479_100000742655 [1,0,0,1,0,0|2,0,0]=4 6125 B13R1.599 COC(=O)/C=C/CN1CCSC1C 34a_200011216479_100000742655 [1,0,0,1,0,0|2,0,0]=4 6126 B13R1.718 CCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000210202 [1,0,0,1,0,0|1,0,0]=3 6127 B13R1.718 CCC(=O)C=CCN1CCOCC1 1458a_100134615786_100000210202 [1,0,0,1,0,0|2,0,0]=4 6128 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [1,0,0,1,0,0|0,0,2]=4 6129 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [1,0,0,1,0,0|0,0,2]=4 6130 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [1,0,0,1,0,0|1,0,1]=4 6131 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [1,0,0,1,0,0|1,0,1]=4 6132 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [1,0,0,1,0,0|1,0,1]=4 6133 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [1,0,0,1,0,0|1,0,1]=4 6134 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [1,0,0,1,0,0|1,0,1]=4 6135 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [1,0,0,1,0,0|1,0,1]=4 6136 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [1,0,0,1,0,0|1,0,1]=4 6137 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [1,0,0,1,0,0|1,0,1]=4 6138 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [1,0,0,1,0,0|2,0,0]=4 6139 B13R1.718 CNC(=O)C=CCN1CCCCC1 11a_106832991635_100015232380 [1,0,0,1,0,0|2,0,0]=4 6140 B13R1.718 CNC(=O)C=CCN1CCCCC1 240690a_100102657272_100015232380 [1,0,0,1,0,0|2,0,0]=4 6141 B13R1.718 COC(=O)/C=C/CN1CCCOC1 2230a_100000131196_100000742655 [1,0,0,1,0,0|2,0,0]=4 6142 B13R1.718 COC(=O)/C=C/CN1CCCOC1 269982a_100000131196_100000742655 [1,0,0,1,0,0|2,0,0]=4 6143 B13R1.718 COC(=O)/C=C/CN1CCCOC1 34a_100000131196_100000742655 [1,0,0,1,0,0|2,0,0]=4 6144 B13R1.718 COC(=O)/C=C/CN1CCOCC1 2230a_100015191051_100000742655 [1,0,0,1,0,0|2,0,0]=4 6145 B13R1.718 COC(=O)/C=C/CN1CCOCC1 269982a_100015191051_100000742655 [1,0,0,1,0,0|2,0,0]=4 6146 B13R1.718 COC(=O)/C=C/CN1CCOCC1 34a_100015191051_100000742655 [1,0,0,1,0,0|2,0,0]=4 6147 B13R1.718 COC(=O)/C=C/CN1CCSCC1 2230a_100000737611_100000742655 [1,0,0,1,0,0|2,0,0]=4 6148 B13R1.718 COC(=O)/C=C/CN1CCSCC1 269982a_100000737611_100000742655 [1,0,0,1,0,0|2,0,0]=4 6149 B13R1.718 COC(=O)C=NNC1CCCCC1 4a_100000709804_200011823558 [1,0,0,1,0,0|2,0,0]=4 6150 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [1,0,0,1,0,0|1,0,1]=4 6151 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [1,0,0,1,0,0|1,0,1]=4 6152 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [1,0,0,1,0,0|1,0,1]=4 6153 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [1,0,0,1,0,0|1,0,1]=4 6154 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [1,0,0,1,0,0|1,0,1]=4 6155 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [1,0,0,1,0,0|1,0,1]=4 6156 B13R1.718 O=C(C=CCN1CCCCC1)CF 1458a_100015232380_100015361967 [1,0,0,1,0,0|2,0,0]=4 6157 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [1,0,0,1,0,0|1,0,1]=4 6158 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [1,0,0,1,0,0|1,0,1]=4 6159 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [1,0,0,1,0,0|1,0,1]=4 6160 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [1,0,0,1,0,0|1,0,1]=4 6161 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [1,0,0,1,0,0|1,0,1]=4 6162 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [1,0,0,1,0,0|1,0,1]=4 6163 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [1,0,0,1,0,0|1,0,1]=4 6164 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [1,0,0,1,0,0|1,0,1]=4 6165 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [1,0,0,1,0,0|1,0,1]=4 6166 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [1,0,0,1,0,0|1,0,1]=4 6167 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [1,0,0,1,0,0|1,0,1]=4 6168 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [1,0,0,1,0,0|1,0,1]=4 6169 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [1,0,0,1,0,0|1,0,1]=4 6170 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [1,0,0,1,0,0|1,0,1]=4 6171 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [1,0,0,1,0,0|1,0,1]=4 6172 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [1,0,0,1,0,0|1,0,1]=4 6173 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [1,0,0,1,0,0|1,0,1]=4 6174 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [1,0,0,1,0,0|1,0,1]=4 6175 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [1,0,0,1,0,0|1,0,1]=4 6176 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [1,0,0,1,0,0|1,0,1]=4 6177 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [1,0,0,1,0,0|1,0,1]=4 6178 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [1,0,0,1,0,0|1,0,1]=4 6179 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [1,0,0,1,0,0|1,0,1]=4 6180 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [1,0,0,1,0,0|1,0,1]=4 6181 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [1,0,0,1,0,0|1,0,1]=4 6182 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [1,0,0,1,0,0|1,0,1]=4 6183 B15R1.292 CCOC(=O)/C=C/CN1CC(C1)COC 2230a_100016993750_100016267167 [0,1,0,1,0,0|2,0,0]=4 6184 B15R1.292 CCOC(=O)/C=C/CN1CC(C1)COC 269982a_100016993750_100016267167 [0,1,0,1,0,0|2,0,0]=4 6185 B15R1.292 CCOC(=O)/C=C/CN1CC(C1)COC 34a_100016993750_100016267167 [0,1,0,1,0,0|2,0,0]=4 6186 B15R1.292 CCOC(=O)/C=C/CN1CC(C1)OCC 269982a_100000732654_100016267167 [0,1,0,1,0,0|2,0,0]=4 6187 B15R1.292 CCOC(=O)/C=C/CN1CC(C1)OCC 34a_100000732654_100016267167 [0,1,0,1,0,0|2,0,0]=4 6188 B15R1.633 CCOC(=O)/C=C/CN1CCCC(C1)F 2230a_100000697950_100016267167 [0,1,0,1,0,0|1,0,0]=3 6189 B15R1.633 CCOC(=O)/C=C/CN1CCCC(C1)F 269982a_100000697950_100016267167 [0,1,0,1,0,0|1,0,0]=3 6190 B15R1.633 CCOC(=O)/C=C/CN1CCCC(C1)F 34a_100000697950_100016267167 [0,1,0,1,0,0|1,0,0]=3 6191 B15R1.633 CCOC(=O)/C=C/CN1CCCC(C1)O 2230a_100000211013_100016267167 [0,1,0,1,0,0|1,0,0]=3 6192 B15R1.633 CCOC(=O)/C=C/CN1CCCC(C1)O 269982a_100000211013_100016267167 [0,1,0,1,0,0|1,0,0]=3 6193 B15R1.633 CCOC(=O)/C=C/CN1CCC[C@@H](C1)C 2230a_100000717927_100016267167 [0,1,0,1,0,0|1,0,0]=3 6194 B15R1.633 CCOC(=O)/C=C/CN1CCC[C@@H](C1)C 269982a_100000717927_100016267167 [0,1,0,1,0,0|1,0,0]=3 6195 B15R1.633 CCOC(=O)/C=C/CN1CCC[C@@H](C1)C 34a_100000717927_100016267167 [0,1,0,1,0,0|1,0,0]=3 6196 B15R1.633 CCOC(=O)/C=C/CN1CCOC(C1)C 2230a_100000729577_100016267167 [0,1,0,1,0,0|2,0,0]=4 6197 B15R1.633 CCOC(=O)/C=C/CN1CCOC(C1)C 269982a_100000729577_100016267167 [0,1,0,1,0,0|2,0,0]=4 6198 B15R1.633 CCOC(=O)/C=C/CN1CCOC(C1)C 34a_100000729577_100016267167 [0,1,0,1,0,0|2,0,0]=4 6199 B15R1.633 CCOC(=O)/C=C/CN1CCOC(C1)O 2230a_100000688207_100016267167 [0,1,0,1,0,0|2,0,0]=4 6200 B15R1.633 CCOC(=O)/C=C/CN1CCOC(C1)O 269982a_100000688207_100016267167 [0,1,0,1,0,0|2,0,0]=4 6201 B15R1.633 CCOC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000188475 [0,1,0,1,0,0|1,0,1]=4 6202 B15R1.784 C=C1CC(C1)CNC/C=C/C(=O)OCC 2230a_100102567296_100016267167 [0,1,0,1,0,0|1,0,1]=4 6203 B15R1.784 C=C1CC(C1)CNC/C=C/C(=O)OCC 34a_100102567296_100016267167 [0,1,0,1,0,0|1,0,1]=4 6204 B15R1.784 C=C1CC(C1)COC/C=C/C(=O)OCC 34a_100011011225_100016267167 [0,1,0,1,0,0|1,0,1]=4 6205 B15R1.784 CCOC(=O)/C=C/CNCC1CC(C1)O 2230a_100016992100_100016267167 [0,1,0,1,0,0|1,0,0]=3 6206 B15R1.784 CCOC(=O)/C=C/COCC1CC(=O)C1 34a_100000101936_100016267167 [0,1,0,1,0,0|1,0,1]=4 6207 B15R1.784 CCOC(=O)/C=C/COCC1CC(C1)Cl 34a_100009874164_100016267167 [0,1,0,1,0,0|1,0,0]=3 6208 B15R1.784 CCOC(=O)/C=C/CSCC1CC(=O)C1 62a_100009874392_100016267167 [0,1,0,1,0,0|1,0,1]=4 6209 B15R1.784 CCOC(=O)/C=C/CSCC1CC(=O)C1 62a_100016267167_100009874392 [0,1,0,1,0,0|1,0,1]=4 6210 B15R1.791 CCOC(=O)COC1CCC(CC1C)C 34a_100011539931_100000188475 [0,1,0,1,0,0|1,0,1]=4 6211 B15R1.791 CCOC(=O)COC1CCC(CC1C)C 7a_100011539931_100000188475 [0,1,0,1,0,0|1,0,1]=4 6212 B15R1.795 CCCC(=O)NN=CCCC1CCCC1 4a_100000189770_100011713431 [0,1,0,1,0,0|2,0,0]=4 6213 B15R1.795 CCOC(=O)/C=C/CNCC1CCCC1 2230a_100000737975_100016267167 [0,1,0,1,0,0|0,0,0]=2 6214 B15R1.795 CCOC(=O)/C=C/CNCC1CCCC1 34a_100000737975_100016267167 [0,1,0,1,0,0|0,0,0]=2 6215 B15R1.795 CCOC(=O)/C=C/CNCC1CCOC1 2230a_100000737293_100016267167 [0,1,0,1,0,0|1,0,0]=3 6216 B15R1.795 CCOC(=O)/C=C/CNCC1CCOC1 34a_100000737293_100016267167 [0,1,0,1,0,0|1,0,0]=3 6217 B15R1.795 CCOC(=O)/C=C/CNCC1OCCO1 2230a_100000036311_100016267167 [0,1,0,1,0,0|2,0,0]=4 6218 B15R1.795 CCOC(=O)/C=C/CNCC1OCCO1 34a_100000036311_100016267167 [0,1,0,1,0,0|2,0,0]=4 6219 B15R1.795 CCOC(=O)/C=C/CNC[C@@H]1CCCO1 2230a_100020590478_100016267167 [0,1,0,1,0,0|1,0,0]=3 6220 B15R1.795 CCOC(=O)/C=C/CNC[C@@H]1CCCO1 34a_100020590478_100016267167 [0,1,0,1,0,0|1,0,0]=3 6221 B15R1.795 CCOC(=O)/C=C/COCC1CC=CC1 34a_100000688395_100016267167 [0,1,0,1,0,0|0,0,2]=4 6222 B15R1.795 CCOC(=O)/C=C/COCC1CCCC1 34a_100000742336_100016267167 [0,1,0,1,0,0|0,0,0]=2 6223 B15R1.795 CCOC(=O)/C=C/COCC1CCCC1 7a_100000742336_100016267167 [0,1,0,1,0,0|0,0,0]=2 6224 B15R1.795 CCOC(=O)/C=C/COCC1CCCO1 34a_100000210270_100016267167 [0,1,0,1,0,0|1,0,0]=3 6225 B15R1.795 CCOC(=O)/C=C/COCC1CCCO1 7a_100000210270_100016267167 [0,1,0,1,0,0|1,0,0]=3 6226 B15R1.795 CCOC(=O)/C=C/COCC1CCNC1 34a_100000748654_100016267167 [0,1,0,1,0,0|1,0,0]=3 6227 B15R1.795 CCOC(=O)/C=C/COCC1CCOC1 34a_100000740260_100016267167 [0,1,0,1,0,0|1,0,0]=3 6228 B15R1.795 CCOC(=O)/C=C/COCC1COCO1 34a_100011216627_100016267167 [0,1,0,1,0,0|2,0,0]=4 6229 B15R1.795 CCOC(=O)/C=C/COCC1OCCO1 34a_100000087154_100016267167 [0,1,0,1,0,0|2,0,0]=4 6230 B15R1.795 CCOC(=O)/C=C/COC[C@H]1CCCN1 34a_100000745186_100016267167 [0,1,0,1,0,0|1,0,0]=3 6231 B15R1.795 CCOC(=O)/C=C/CSCC1CCCC1 62a_100000740388_100016267167 [0,1,0,1,0,0|0,0,0]=2 6232 B15R1.795 CCOC(=O)/C=C/CSCC1CCCC1 62a_100016267167_100000740388 [0,1,0,1,0,0|0,0,0]=2 6233 B15R1.795 CCOC(=O)/C=C/CSCC1CCCO1 62a_100000203698_100016267167 [0,1,0,1,0,0|1,0,0]=3 6234 B15R1.795 CCOC(=O)/C=C/CSCC1CCCO1 62a_100016267167_100000203698 [0,1,0,1,0,0|1,0,0]=3 6235 B15R1.795 CCOC(=O)/C=C/CSCC1CCOC1 62a_100000702531_100016267167 [0,1,0,1,0,0|1,0,0]=3 6236 B15R1.795 CCOC(=O)/C=C/CSCC1CCOC1 62a_100016267167_100000702531 [0,1,0,1,0,0|1,0,0]=3 6237 B15R1.795 CCOC(=O)/C=C/CSCC1OCCO1 62a_100000755774_100016267167 [0,1,0,1,0,0|2,0,0]=4 6238 B15R1.795 CCOC(=O)/C=C/CSCC1OCCO1 62a_100016267167_100000755774 [0,1,0,1,0,0|2,0,0]=4 6239 B15R1.795 CCOC(=O)C=CC=NNC1CCCC1 4a_100000737850_100016289910 [0,1,0,1,0,0|1,0,1]=4 6240 B15R1.795 CCOC(=O)CCCCCN1CCCC1 2230a_100000188435_100000755133 [0,1,0,1,0,0|0,0,2]=4 6241 B15R1.795 CCOC(=O)CCCCCN1CCCC1 269982a_100000188435_100000755133 [0,1,0,1,0,0|0,0,2]=4 6242 B15R1.795 CCOC(=O)CCCCNC1CCCC1 2230a_100000211070_100000750268 [0,1,0,1,0,0|0,0,2]=4 6243 B15R1.795 CCOC(=O)CCCCNC1CCCC1 34a_100000211070_100000750268 [0,1,0,1,0,0|0,0,2]=4 6244 B15R1.795 CCOC(=O)CCCCOC1CCCC1 34a_100000210269_100000750268 [0,1,0,1,0,0|0,0,2]=4 6245 B15R1.795 CCOC(=O)CCCCOC1CCCC1 7a_100000210269_100000750268 [0,1,0,1,0,0|0,0,2]=4 6246 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100000750268_100000179811 [0,1,0,1,0,0|0,0,2]=4 6247 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100011217020_100000750268 [0,1,0,1,0,0|0,0,2]=4 6248 B15R1.795 CCOC(=O)CCCNCC1CCCC1 2230a_100000737975_100009991533 [0,1,0,1,0,0|0,0,2]=4 6249 B15R1.795 CCOC(=O)CCCNCC1CCCC1 34a_100000737975_100009991533 [0,1,0,1,0,0|0,0,2]=4 6250 B15R1.795 CCOC(=O)CCCOCC1CCCC1 34a_100000742336_100009991533 [0,1,0,1,0,0|0,0,2]=4 6251 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100000742336_100011215271 [0,1,0,1,0,0|0,0,2]=4 6252 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100012001163_100000740388 [0,1,0,1,0,0|0,0,2]=4 6253 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100000740388_100009991533 [0,1,0,1,0,0|0,0,2]=4 6254 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100009991533_100000740388 [0,1,0,1,0,0|0,0,2]=4 6255 B15R1.795 CCOC(=O)CCNCCC1CCCC1 2230a_100000739158_100011206558 [0,1,0,1,0,0|0,0,2]=4 6256 B15R1.795 CCOC(=O)CCNCCC1CCCC1 34a_100000739158_100000765890 [0,1,0,1,0,0|0,0,2]=4 6257 B15R1.795 CCOC(=O)CCOCCC1CCCC1 34a_100000749090_100000765890 [0,1,0,1,0,0|0,0,2]=4 6258 B15R1.795 CCOC(=O)CCOCCC1CCCC1 7a_100000749090_100011206558 [0,1,0,1,0,0|0,0,2]=4 6259 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000760354_100000765890 [0,1,0,1,0,0|0,0,2]=4 6260 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000765890_100000760354 [0,1,0,1,0,0|0,0,2]=4 6261 B15R1.795 CCOC(=O)CNCCCC1CCCC1 2230a_100000736752_100000188475 [0,1,0,1,0,0|0,0,2]=4 6262 B15R1.795 CCOC(=O)CNCCCC1CCCC1 34a_100000736752_100000188475 [0,1,0,1,0,0|0,0,2]=4 6263 B15R1.795 CCOC(=O)CNCCOC1CCCC1 34a_100000741755_100000188475 [0,1,0,1,0,0|1,0,1]=4 6264 B15R1.795 CCOC(=O)COCCCC1CCCC1 34a_100011215328_100000188475 [0,1,0,1,0,0|0,0,2]=4 6265 B15R1.795 CCOC(=O)COCCCC1CCCC1 7a_100011215328_100000188475 [0,1,0,1,0,0|0,0,2]=4 6266 B15R1.795 CCOC(=O)COCCCN1CCCC1 2230a_100000188435_100009893628 [0,1,0,1,0,0|1,0,1]=4 6267 B15R1.795 CCOC(=O)COCCCN1CCCC1 269982a_100000188435_100009893628 [0,1,0,1,0,0|1,0,1]=4 6268 B15R1.795 CCOC(=O)COCCNC1CCCC1 2230a_100000211070_100000088970 [0,1,0,1,0,0|1,0,1]=4 6269 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_100000211070_100000088970 [0,1,0,1,0,0|1,0,1]=4 6270 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_200000200444_100000188475 [0,1,0,1,0,0|1,0,1]=4 6271 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000210269_100000088970 [0,1,0,1,0,0|1,0,1]=4 6272 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000738311_100000188475 [0,1,0,1,0,0|1,0,1]=4 6273 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000210269_100000088970 [0,1,0,1,0,0|1,0,1]=4 6274 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000738311_100000188475 [0,1,0,1,0,0|1,0,1]=4 6275 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100000088970_100000179811 [0,1,0,1,0,0|1,0,1]=4 6276 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100011217020_100000088970 [0,1,0,1,0,0|1,0,1]=4 6277 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100000188475_100011713738 [0,1,0,1,0,0|0,0,2]=4 6278 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100011713738_100000188475 [0,1,0,1,0,0|0,0,2]=4 6279 B15R1.795 CCOC(=O)CSCCCN1CCCC1 62a_100000188475_100011445909 [0,1,0,1,0,0|1,0,1]=4 6280 B15R1.795 CCOC(=O)CSCCCN1CCCC1 62a_100016991639_100000188475 [0,1,0,1,0,0|1,0,1]=4 6281 B15R1.795 CCOC(=O)CSCCOC1CCCC1 7a_200000230590_100000179811 [0,1,0,1,0,0|1,0,1]=4 6282 B15R1.795 CCOC(=O)NCCOCC1CCCC1 34a_100000158857_100000740388 [0,1,0,1,0,0|1,0,1]=4 6283 B15R1.795 CCOC(=O)NCCOCC1CCCC1 7a_100000742336_200011445536 [0,1,0,1,0,0|1,0,1]=4 6284 B15R1.795 CCOC(=O)NCCSCC1CCCC1 62a_100000740388_200011445536 [0,1,0,1,0,0|1,0,1]=4 6285 B15R1.795 CCOC(=O)NN=CCSC1CCCC1 62a_100011217020_100015372823 [0,1,0,1,0,0|2,0,0]=4 6286 B15R1.795 CCOC(=O)OCSCCC1CCCC1 62a_100000760354_100000075025 [0,1,0,1,0,0|1,0,1]=4 6287 B15R1.3857 CCCC(C)CCCOC1CCOC1=O 34a_100011713154_100000211211 [0,1,0,1,0,0|1,0,1]=4 6288 B15R1.3857 CCCC(C)CCCOC1CCOC1=O 7a_100011713154_100000211211 [0,1,0,1,0,0|1,0,1]=4 6289 B15R1.3857 CCOC(=O)/C=C/CN[C@H]1COC[C@@H]1O 2230a_100015191717_100016267167 [0,1,0,1,0,0|2,0,0]=4 6290 B15R1.3857 CCOC(=O)/C=C/COC1CCCC1=O 34a_200000719330_100016267167 [0,1,0,1,0,0|1,0,1]=4 6291 B15R1.3857 CCOC(=O)/C=C/COC1CCCC1C 34a_100011216460_100016267167 [0,1,0,1,0,0|0,0,0]=2 6292 B15R1.3857 CCOC(=O)/C=C/COC1CCCC1C 7a_100011216460_100016267167 [0,1,0,1,0,0|0,0,0]=2 6293 B15R1.3857 CCOC(=O)/C=C/CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100016267167 [0,1,0,1,0,0|1,0,0]=3 6294 B15R1.3857 CCOC(=O)/C=C/CO[C@H]1CCC[C@@H]1N 34a_100000748460_100016267167 [0,1,0,1,0,0|1,0,0]=3 6295 B15R1.3857 CCOC(=O)/C=C/CO[C@H]1CNC[C@H]1C 34a_200015306588_100016267167 [0,1,0,1,0,0|1,0,0]=3 6296 B15R1.3857 CCOC(=O)/C=C/CO[C@H]1COC[C@@H]1N 34a_100015191717_100016267167 [0,1,0,1,0,0|2,0,0]=4 6297 B15R1.3857 CCOC(=O)/C=C/CSC1CCCC1=O 62a_100000211823_100016267167 [0,1,0,1,0,0|1,0,1]=4 6298 B15R1.3857 CCOC(=O)/C=C/CSC1CCCC1=O 62a_100016267167_100000211823 [0,1,0,1,0,0|1,0,1]=4 6299 B15R1.3857 CCOC(=O)/C=C/CSC1COCC1O 62a_100016267167_200000725654 [0,1,0,1,0,0|2,0,0]=4 6300 B15R1.3857 CCOC(=O)/C=C/CSC1COCC1O 62a_200000725654_100016267167 [0,1,0,1,0,0|2,0,0]=4 6301 B15R1.3857 CCOC(=O)/C=C/CS[C@@H]1CCC[C@H]1O 62a_100016267167_200016002552 [0,1,0,1,0,0|1,0,0]=3 6302 B15R1.3857 CCOC(=O)/C=C/CS[C@@H]1CCC[C@H]1O 62a_200016002552_100016267167 [0,1,0,1,0,0|1,0,0]=3 6303 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 2230a_100020605311_100000750268 [0,1,0,1,0,0|0,0,2]=4 6304 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000750268 [0,1,0,1,0,0|0,0,2]=4 6305 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 2230a_100015189458_100000750268 [0,1,0,1,0,0|0,0,2]=4 6306 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000750268 [0,1,0,1,0,0|0,0,2]=4 6307 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100000750268 [0,1,0,1,0,0|0,0,2]=4 6308 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 34a_100011216460_100009991533 [0,1,0,1,0,0|0,0,2]=4 6309 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 7a_100011216460_100011215271 [0,1,0,1,0,0|0,0,2]=4 6310 B15R1.3857 CCOC(=O)COCCC1CCCN1C 34a_100011215177_100000188475 [0,1,0,1,0,0|1,0,1]=4 6311 B15R1.3857 CCOC(=O)COCCC1CCCN1C 7a_100011215177_100000188475 [0,1,0,1,0,0|1,0,1]=4 6312 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 2230a_100020605311_100000088970 [0,1,0,1,0,0|1,0,1]=4 6313 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 269982a_100020605311_100000088970 [0,1,0,1,0,0|1,0,1]=4 6314 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 2230a_100015189458_100000088970 [0,1,0,1,0,0|1,0,1]=4 6315 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 269982a_100015189458_100000088970 [0,1,0,1,0,0|1,0,1]=4 6316 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 34a_100015189458_100000088970 [0,1,0,1,0,0|1,0,1]=4 6317 B15R1.3857 CCOC(=O)CSCCC1CCCN1C 62a_100000005710_100000188475 [0,1,0,1,0,0|1,0,1]=4 6318 B15R1.3857 CCOC(=O)CSCCC1CCCN1C 62a_100000188475_100000005710 [0,1,0,1,0,0|1,0,1]=4 6319 B15R1.3857 CCOC(=O)NCCOC1CCCC1C 7a_100011216460_200011445536 [0,1,0,1,0,0|1,0,1]=4 6320 B15R1.3857 CCOC(=O)NN=CCN1CCC[C@@H]1C 269982a_100020605311_100015372823 [0,1,0,1,0,0|2,0,0]=4 6321 B15R1.3857 CCOC(=O)NN=CCN1CCC[C@H]1C 269982a_100015189458_100015372823 [0,1,0,1,0,0|2,0,0]=4 6322 B15R1.9453 CCCN1CCCC(=CC(=O)OCC)C1 2230a_100015190328_100000210303 [0,1,0,1,0,0|1,0,0]=3 6323 B15R1.9453 CCCN1CCCC(=CC(=O)OCC)C1 269982a_100015190328_100000210303 [0,1,0,1,0,0|1,0,0]=3 6324 B15R1.9453 CCOC(=O)C=C1CCCN(C1)CCF 2230a_100015190328_100011217306 [0,1,0,1,0,0|2,0,0]=4 6325 B15R1.9453 CCOC(=O)C=C1CCCN(C1)CCF 269982a_100015190328_100011217306 [0,1,0,1,0,0|2,0,0]=4 6326 B15R1.9453 CCOC(=O)C=C1CCCN(C1)CCO 2230a_100015190328_100000211926 [0,1,0,1,0,0|2,0,0]=4 6327 B15R1.9453 CCOC(=O)C=C1CCCN(C1)CCO 269982a_100015190328_100000211926 [0,1,0,1,0,0|2,0,0]=4 6328 B15R1.9453 CCOC(=O)C=C1CCCN(C1)COC 2230a_100015190328_100000766300 [0,1,0,1,0,0|2,0,0]=4 6329 B15R1.9453 CCOC(=O)C=C1CCCN(C1)COC 269982a_100015190328_100000766300 [0,1,0,1,0,0|2,0,0]=4 6330 B15R1.9453 CCOC(=O)C=C1CCCN(C1)CSC 2230a_100015190328_100011218213 [0,1,0,1,0,0|2,0,0]=4 6331 B15R1.9453 CCOC(=O)C=C1CCCN(C1)CSC 269982a_100015190328_100011218213 [0,1,0,1,0,0|2,0,0]=4 6332 B15R1.10572 CCOC(=O)/C=C/CNCC(O)C1CC1 2230a_100000751198_100016267167 [0,1,0,1,0,0|1,0,0]=3 6333 B15R1.10572 CCOC(=O)/C=C/CNCC(O)C1CC1 34a_100000751198_100016267167 [0,1,0,1,0,0|1,0,0]=3 6334 B15R1.10572 CCOC(=O)/C=C/COCC(=O)C1CC1 34a_100000686663_100016267167 [0,1,0,1,0,0|1,0,1]=4 6335 B15R1.10572 CCOC(=O)/C=C/COC[C@H](N)C1CC1 34a_100020623730_100016267167 [0,1,0,1,0,0|1,0,0]=3 6336 B15R1.10572 CCOC(=O)/C=C/CSCC(=O)C1CC1 62a_100000746382_100016267167 [0,1,0,1,0,0|1,0,1]=4 6337 B15R1.10572 CCOC(=O)/C=C/CSCC(=O)C1CC1 62a_100016267167_100000746382 [0,1,0,1,0,0|1,0,1]=4 6338 B15R1.35265 CCOC(=O)/C=C/CNCC1(CCC1)C 2230a_100000706607_100016267167 [0,1,0,1,0,0|1,0,0]=3 6339 B15R1.35265 CCOC(=O)/C=C/CNCC1(CCC1)O 2230a_100000752638_100016267167 [0,1,0,1,0,0|1,0,0]=3 6340 B15R1.35265 CCOC(=O)/C=C/CNCC1(COC1)C 2230a_100020631278_100016267167 [0,1,0,1,0,0|2,0,0]=4 6341 B15R1.35265 CCOC(=O)/C=C/CNCC1(COC1)O 2230a_100010264505_100016267167 [0,1,0,1,0,0|2,0,0]=4 6342 B15R1.35265 CCOC(=O)/C=C/COCC1(CSC1)C 34a_100000732658_100016267167 [0,1,0,1,0,0|2,0,0]=4 6343 B15R1.35265 CCOC(=O)/C=C/COCC1(CSC1)C 7a_100000732658_100016267167 [0,1,0,1,0,0|2,0,0]=4 6344 B15R1.35265 CCOC(=O)/C=C/CSCC1(CCC1)C 62a_100000726658_100016267167 [0,1,0,1,0,0|1,0,0]=3 6345 B15R1.35265 CCOC(=O)/C=C/CSCC1(CCC1)C 62a_100016267167_100000726658 [0,1,0,1,0,0|1,0,0]=3 6346 B15R1.35265 CCOC(=O)/C=C/CSCC1(COC1)C 62a_100009817586_100016267167 [0,1,0,1,0,0|2,0,0]=4 6347 B15R1.35265 CCOC(=O)/C=C/CSCC1(COC1)C 62a_100016267167_100009817586 [0,1,0,1,0,0|2,0,0]=4 6348 B15R1.11 C=C1CCN(CC1)C/C=C/C(=O)OCC 2230a_100000752442_100016267167 [0,1,0,1,0,0|1,0,1]=4 6349 B15R1.11 C=C1CCN(CC1)C/C=C/C(=O)OCC 269982a_100000752442_100016267167 [0,1,0,1,0,0|1,0,1]=4 6350 B15R1.11 C=C1CCN(CC1)C/C=C/C(=O)OCC 34a_100000752442_100016267167 [0,1,0,1,0,0|1,0,1]=4 6351 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)C 2230a_100000188429_100016267167 [0,1,0,1,0,0|1,0,0]=3 6352 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)C 269982a_100000188429_100016267167 [0,1,0,1,0,0|1,0,0]=3 6353 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)C 34a_100000188429_100016267167 [0,1,0,1,0,0|1,0,0]=3 6354 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)F 2230a_100015193889_100016267167 [0,1,0,1,0,0|1,0,0]=3 6355 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)F 269982a_100015193889_100016267167 [0,1,0,1,0,0|1,0,0]=3 6356 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)F 34a_100015193889_100016267167 [0,1,0,1,0,0|1,0,0]=3 6357 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)O 2230a_100025773856_100016267167 [0,1,0,1,0,0|1,0,0]=3 6358 B15R1.11 CCOC(=O)/C=C/CN1CCC(CC1)O 269982a_100025773856_100016267167 [0,1,0,1,0,0|1,0,0]=3 6359 B15R1.11 CCOC(=O)/C=C/CN1CCN(CC1)C 2230a_100000188432_100016267167 [0,1,0,1,0,0|2,0,0]=4 6360 B15R1.11 CCOC(=O)/C=C/CN1CCN(CC1)C 269982a_100000188432_100016267167 [0,1,0,1,0,0|2,0,0]=4 6361 B15R1.11 CCOC(=O)/C=C/CN1CCS(=O)CC1 2230a_100000752083_100016267167 [0,1,0,1,0,0|2,0,0]=4 6362 B15R1.11 CCOC(=O)/C=C/CN1CCS(=O)CC1 269982a_100000752083_100016267167 [0,1,0,1,0,0|2,0,0]=4 6363 B15R1.11 CCOC(=O)CNCC1CCC(CC1)C 2230a_103436935547_100000188475 [0,1,0,1,0,0|1,0,1]=4 6364 B15R1.11 CCOC(=O)CNCC1CCC(CC1)C 34a_103436935547_100000188475 [0,1,0,1,0,0|1,0,1]=4 6365 B15R1.11 CCOC(=O)COCC1CCC(CC1)C 34a_100000701341_100000188475 [0,1,0,1,0,0|1,0,1]=4 6366 B15R1.11 CCOC(=O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000188475 [0,1,0,1,0,0|1,0,1]=4 6367 B15R1.27 CCOC(=O)CNC1CCCC(C1C)C 2230a_100000211273_100000188475 [0,1,0,1,0,0|1,0,1]=4 6368 B15R1.27 CCOC(=O)CNC1CCCC(C1C)C 34a_100000211273_100000188475 [0,1,0,1,0,0|1,0,1]=4 6369 B15R1.27 CCOC(=O)COC1CCCC(C1C)C 34a_100011217532_100000188475 [0,1,0,1,0,0|1,0,1]=4 6370 B15R1.27 CCOC(=O)COC1CCCC(C1C)C 7a_100011217532_100000188475 [0,1,0,1,0,0|1,0,1]=4 6371 B15R1.777 CCOC(=O)/C=C/CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100016267167 [0,1,0,1,0,0|1,0,0]=3 6372 B15R1.777 CCOC(=O)/C=C/COC1CCC(=O)C1 34a_100012614533_100016267167 [0,1,0,1,0,0|1,0,1]=4 6373 B15R1.777 CCOC(=O)/C=C/COC1CCC(C1)C 34a_100000698185_100016267167 [0,1,0,1,0,0|1,0,0]=3 6374 B15R1.777 CCOC(=O)/C=C/CSC1CCN(C1)C 62a_100016267167_200012183744 [0,1,0,1,0,0|2,0,0]=4 6375 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 34a_100000744939_100000750268 [0,1,0,1,0,0|0,0,2]=4 6376 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 7a_100000744939_100000750268 [0,1,0,1,0,0|0,0,2]=4 6377 B15R1.1263 CCOC(=O)COCCOCC1CC1C 34a_100000744939_100000088970 [0,1,0,1,0,0|1,0,1]=4 6378 B15R1.1263 CCOC(=O)COCCOCC1CC1C 7a_100000744939_100000088970 [0,1,0,1,0,0|1,0,1]=4 6379 B15R1.1264 CCOC(=O)/C=C/COCCC1COC1 34a_100009855314_100016267167 [0,1,0,1,0,0|1,0,0]=3 6380 B15R1.1264 CCOC(=O)C=CC=NNCC1CCC1 4a_200020586977_100016289910 [0,1,0,1,0,0|1,0,1]=4 6381 B15R1.1264 CCOC(=O)CCCCCCN1CCC1 269982a_100000754969_100009814379 [0,1,0,1,0,0|0,0,2]=4 6382 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 2230a_100000749019_100000755133 [0,1,0,1,0,0|0,0,2]=4 6383 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 34a_100000749019_100000755133 [0,1,0,1,0,0|0,0,2]=4 6384 B15R1.1264 CCOC(=O)CCCCCOC1CCC1 34a_100000748187_100000755133 [0,1,0,1,0,0|0,0,2]=4 6385 B15R1.1264 CCOC(=O)CCCCCSC1CCC1 62a_100000755133_100000749161 [0,1,0,1,0,0|0,0,2]=4 6386 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 2230a_100000738700_100000750268 [0,1,0,1,0,0|0,0,2]=4 6387 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 34a_100000738700_100000750268 [0,1,0,1,0,0|0,0,2]=4 6388 B15R1.1264 CCOC(=O)CCCCOCC1CCC1 34a_100000760304_100000750268 [0,1,0,1,0,0|0,0,2]=4 6389 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000750268_100000763275 [0,1,0,1,0,0|0,0,2]=4 6390 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000763275_100000750268 [0,1,0,1,0,0|0,0,2]=4 6391 B15R1.1264 CCOC(=O)COCCCNC1CCC1 2230a_100000749019_100009893628 [0,1,0,1,0,0|1,0,1]=4 6392 B15R1.1264 CCOC(=O)COCCCNC1CCC1 34a_100000749019_100009893628 [0,1,0,1,0,0|1,0,1]=4 6393 B15R1.1264 CCOC(=O)COCCCOC1CCC1 34a_100000748187_100009893628 [0,1,0,1,0,0|1,0,1]=4 6394 B15R1.1264 CCOC(=O)COCCCSC1CCC1 62a_100009893628_100000749161 [0,1,0,1,0,0|1,0,1]=4 6395 B15R1.1264 CCOC(=O)COCCNCC1CCC1 2230a_100000738700_100000088970 [0,1,0,1,0,0|1,0,1]=4 6396 B15R1.1264 CCOC(=O)COCCNCC1CCC1 34a_100000738700_100000088970 [0,1,0,1,0,0|1,0,1]=4 6397 B15R1.1264 CCOC(=O)COCCOCC1CCC1 34a_100000760304_100000088970 [0,1,0,1,0,0|1,0,1]=4 6398 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000088970_100000763275 [0,1,0,1,0,0|1,0,1]=4 6399 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000763275_100000088970 [0,1,0,1,0,0|1,0,1]=4 6400 B15R1.1264 CCOC(=O)CSCCOCC1CCC1 7a_200000230590_100000763275 [0,1,0,1,0,0|1,0,1]=4 6401 B15R1.1264 CCOC(=O)NN=CCSCC1CCC1 62a_100000763275_100015372823 [0,1,0,1,0,0|2,0,0]=4 6402 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 269982a_100000755817_100000755133 [0,1,0,1,0,0|0,0,2]=4 6403 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 34a_100000755817_100000755133 [0,1,0,1,0,0|0,0,2]=4 6404 B15R1.3865 CCOC(=O)COCCCN1CCC1C 269982a_100000755817_100009893628 [0,1,0,1,0,0|1,0,1]=4 6405 B15R1.3865 CCOC(=O)COCCCN1CCC1C 34a_100000755817_100009893628 [0,1,0,1,0,0|1,0,1]=4 6406 B15R1.9901 CCOC(=O)/C=C/CN1CCC(C1)CO 2230a_100000748654_100016267167 [0,1,0,1,0,0|2,0,0]=4 6407 B15R1.9901 CCOC(=O)/C=C/CN1CCC(C1)CO 269982a_100000748654_100016267167 [0,1,0,1,0,0|2,0,0]=4 6408 B15R1.9901 CCOC(=O)/C=C/CN1CCC(C1)CO 34a_100000748654_100016267167 [0,1,0,1,0,0|2,0,0]=4 6409 B15R1.9901 CCOC(=O)/C=C/CN1CC[C@H](C1)OC 2230a_100000766984_100016267167 [0,1,0,1,0,0|2,0,0]=4 6410 B15R1.9901 CCOC(=O)/C=C/CN1CC[C@H](C1)OC 269982a_100000766984_100016267167 [0,1,0,1,0,0|2,0,0]=4 6411 B15R1.10379 CCOC(=O)/C=C/CNC1CN(C1)CC 2230a_200015199589_100016267167 [0,1,0,1,0,0|2,0,0]=4 6412 B15R1.10379 CCOC(=O)/C=C/CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100016267167 [0,1,0,1,0,0|2,0,0]=4 6413 B15R1.10379 CCOC(=O)/C=C/CSC1CC(C1)CO 62a_100009874164_100016267167 [0,1,0,1,0,0|2,0,0]=4 6414 B15R1.10379 CCOC(=O)/C=C/CSC1CC(C1)CO 62a_100016267167_100009874164 [0,1,0,1,0,0|2,0,0]=4 6415 B15R1.10389 CCOC(=O)COC1CCCC(C1)CC 7a_100011985506_100000188475 [0,1,0,1,0,0|1,0,1]=4 6416 B15R1.585 CCCCCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210614 [0,1,0,1,0,0|2,0,0]=4 6417 B15R1.809 CCCC(=CC(=O)CC1CCCCC1)C 1458a_100020676950_100000211423 [0,1,0,1,0,0|2,0,0]=4 6418 B15R1.809 CCCC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000747444 [0,1,0,1,0,0|1,0,1]=4 6419 B15R1.809 CCNC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000183381 [0,1,0,1,0,0|1,0,1]=4 6420 B15R1.809 CCOC(=O)C=C(C)CN1CCCOC1 2230a_100000131196_100135422193 [0,1,0,1,0,0|2,0,0]=4 6421 B15R1.809 CCOC(=O)C=C(C)CN1CCCOC1 269982a_100000131196_100135422193 [0,1,0,1,0,0|2,0,0]=4 6422 B15R1.809 CCOC(=O)C=C(C)CN1CCCOC1 34a_100000131196_100135422193 [0,1,0,1,0,0|2,0,0]=4 6423 B15R1.809 CCOC(=O)C=C(C)CN1CCOCC1 2230a_100015191051_100135422193 [0,1,0,1,0,0|2,0,0]=4 6424 B15R1.809 CCOC(=O)C=C(C)CN1CCOCC1 269982a_100015191051_100135422193 [0,1,0,1,0,0|2,0,0]=4 6425 B15R1.809 CCOC(=O)C=C(C)CN1CCOCC1 34a_100015191051_100135422193 [0,1,0,1,0,0|2,0,0]=4 6426 B15R1.809 CCOC(=O)C=C(C)CN1CCSCC1 2230a_100000737611_100135422193 [0,1,0,1,0,0|2,0,0]=4 6427 B15R1.809 CCOC(=O)C=C(C)CN1CCSCC1 269982a_100000737611_100135422193 [0,1,0,1,0,0|2,0,0]=4 6428 B15R1.809 CCOC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000188475 [0,1,0,1,0,0|0,0,1]=3 6429 B15R1.809 CCOC(=O)CC(=O)CC1CCCCC1 1458a_100000243816_100000211423 [0,1,0,1,0,0|0,0,1]=3 6430 B15R1.809 CCOC(=O)CC(=O)CC1CCCCO1 1458a_100000238585_100000188475 [0,1,0,1,0,0|1,0,1]=4 6431 B15R1.809 CCOC(=O)CC(=O)CC1CCCCO1 1458a_100000243816_100000211543 [0,1,0,1,0,0|1,0,1]=4 6432 B15R1.809 CCOC(=O)CC(=O)CC1CCCOC1 1458a_100000243816_100000741521 [0,1,0,1,0,0|1,0,1]=4 6433 B15R1.809 CCOC(=O)CC(=O)CC1CCCOC1 1458a_100000741523_100000188475 [0,1,0,1,0,0|1,0,1]=4 6434 B15R1.809 CCOC(=O)CC(=O)CC1CCOCC1 1458a_100000243816_100000754603 [0,1,0,1,0,0|1,0,1]=4 6435 B15R1.809 CCOC(=O)CC(=O)CC1CCOCC1 1458a_100000757261_100000188475 [0,1,0,1,0,0|1,0,1]=4 6436 B15R1.809 CCOC(=O)CC(=O)CN1CCCCC1 1458a_100000740322_100000188475 [0,1,0,1,0,0|1,0,1]=4 6437 B15R1.809 CCOC(=O)CC(=O)NC1CCCCC1 240690a_100000182618_100000243816 [0,1,0,1,0,0|1,0,1]=4 6438 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 2230a_100000220588_100000211423 [0,1,0,1,0,0|1,0,1]=4 6439 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000188475 [0,1,0,1,0,0|1,0,1]=4 6440 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000188475 [0,1,0,1,0,0|1,0,1]=4 6441 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 34a_100000736448_100000188475 [0,1,0,1,0,0|1,0,1]=4 6442 B15R1.1010 CCCCCCOc1cc(oc(=O)c1)C 34a_100000210952_100000210314 [0,1,0,1,0,0|1,0,1]=4 6443 B15R1.1010 CCCCCCOc1cc(oc(=O)c1)C 7a_100000210952_100000210314 [0,1,0,1,0,0|1,0,1]=4 6444 B15R1.1284 CCCC(=CC(=O)CCC1CCCC1)C 1458a_100020676950_100000760354 [0,1,0,1,0,0|2,0,0]=4 6445 B15R1.1284 CCCC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000747444 [0,1,0,1,0,0|1,0,1]=4 6446 B15R1.1284 CCNC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000183381 [0,1,0,1,0,0|1,0,1]=4 6447 B15R1.1284 CCOC(=O)C=C(C)CNC1CCCC1 2230a_100000211070_100135422193 [0,1,0,1,0,0|1,0,0]=3 6448 B15R1.1284 CCOC(=O)C=C(C)CNC1CCCC1 34a_100000211070_100135422193 [0,1,0,1,0,0|1,0,0]=3 6449 B15R1.1284 CCOC(=O)C=C(C)CN[C@@H]1CCOC1 2230a_200015188469_100135422193 [0,1,0,1,0,0|2,0,0]=4 6450 B15R1.1284 CCOC(=O)C=C(C)CN[C@H]1CCOC1 2230a_100015188467_100135422193 [0,1,0,1,0,0|2,0,0]=4 6451 B15R1.1284 CCOC(=O)C=C(C)CN[C@H]1CCOC1 34a_100015188467_100135422193 [0,1,0,1,0,0|2,0,0]=4 6452 B15R1.1284 CCOC(=O)C=C(C)COC1CCCC1 34a_100000210269_100135422193 [0,1,0,1,0,0|1,0,0]=3 6453 B15R1.1284 CCOC(=O)C=C(C)COC1CCCC1 7a_100000210269_100135422193 [0,1,0,1,0,0|1,0,0]=3 6454 B15R1.1284 CCOC(=O)C=C(C)COC1CCCO1 34a_100000085407_100135422193 [0,1,0,1,0,0|2,0,0]=4 6455 B15R1.1284 CCOC(=O)C=C(C)COC1CCSC1 7a_100011232664_100135422193 [0,1,0,1,0,0|2,0,0]=4 6456 B15R1.1284 CCOC(=O)C=C(C)CO[C@H]1CCOC1 34a_100000717292_100135422193 [0,1,0,1,0,0|2,0,0]=4 6457 B15R1.1284 CCOC(=O)C=C(C)CSC1CCCC1 62a_100011217020_100135422193 [0,1,0,1,0,0|1,0,0]=3 6458 B15R1.1284 CCOC(=O)C=C(C)CSC1CCCC1 62a_100135422193_100000179811 [0,1,0,1,0,0|1,0,0]=3 6459 B15R1.1284 CCOC(=O)C=C(C)CSC1CCOC1 62a_100135422193_100000690089 [0,1,0,1,0,0|2,0,0]=4 6460 B15R1.1284 CCOC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000188475 [0,1,0,1,0,0|0,0,1]=3 6461 B15R1.1284 CCOC(=O)CC(=O)CCC1CCCC1 1458a_100000243816_100000760354 [0,1,0,1,0,0|0,0,1]=3 6462 B15R1.1284 CCOC(=O)CC(=O)CCC1CCCO1 1458a_100011247709_100000188475 [0,1,0,1,0,0|1,0,1]=4 6463 B15R1.1284 CCOC(=O)CC(=O)CCN1CCCC1 1458a_100000243816_100000004467 [0,1,0,1,0,0|1,0,1]=4 6464 B15R1.1284 CCOC(=O)CC(=O)CCN1CCCC1 1458a_100000738983_100000188475 [0,1,0,1,0,0|1,0,1]=4 6465 B15R1.1284 CCOC(=O)CC(=O)COC1CCCC1 1458a_100000741352_100000188475 [0,1,0,1,0,0|1,0,1]=4 6466 B15R1.1284 CCOC(=O)CC(=O)CSC1CCCC1 62a_100000210311_100000179811 [0,1,0,1,0,0|1,0,1]=4 6467 B15R1.1284 CCOC(=O)CC(=O)CSC1CCCC1 62a_100011217020_100000210311 [0,1,0,1,0,0|1,0,1]=4 6468 B15R1.1284 CCOC(=O)CC(=O)NCC1CCCC1 240690a_100000737975_100000243816 [0,1,0,1,0,0|1,0,1]=4 6469 B15R1.1284 CCOC(=O)CN(C)CCC1CCCC1 2230a_100000220588_100000760354 [0,1,0,1,0,0|1,0,1]=4 6470 B15R1.1284 CCOC(=O)NC(=O)COC1CCCC1 7a_100000210269_100000010344 [0,1,0,1,0,0|2,0,0]=4 6471 B15R1.1284 CCOC(=O)NC(=O)CSC1CCCC1 62a_100011217020_100000010344 [0,1,0,1,0,0|2,0,0]=4 6472 B15R1.2617 CCOC(=O)C=C(C)COCC1CC1C 34a_100000744939_100135422193 [0,1,0,1,0,0|1,0,0]=3 6473 B15R1.2617 CCOC(=O)C=C(C)COCC1CC1C 7a_100000744939_100135422193 [0,1,0,1,0,0|1,0,0]=3 6474 B15R1.2617 CCOC(=O)NC(=O)COCC1CC1C 7a_100000744939_100000010344 [0,1,0,1,0,0|2,0,0]=4 6475 B15R1.2618 CCOC(=O)C=C(C)CNCC1CCC1 2230a_100000738700_100135422193 [0,1,0,1,0,0|1,0,0]=3 6476 B15R1.2618 CCOC(=O)C=C(C)CNCC1CCC1 34a_100000738700_100135422193 [0,1,0,1,0,0|1,0,0]=3 6477 B15R1.2618 CCOC(=O)C=C(C)CNCC1COC1 2230a_100015281925_100135422193 [0,1,0,1,0,0|2,0,0]=4 6478 B15R1.2618 CCOC(=O)C=C(C)CNCC1COC1 34a_100015281925_100135422193 [0,1,0,1,0,0|2,0,0]=4 6479 B15R1.2618 CCOC(=O)C=C(C)CNC[C@@H]1CCO1 2230a_100020831831_100135422193 [0,1,0,1,0,0|2,0,0]=4 6480 B15R1.2618 CCOC(=O)C=C(C)CNC[C@@H]1CCO1 34a_100020831831_100135422193 [0,1,0,1,0,0|2,0,0]=4 6481 B15R1.2618 CCOC(=O)C=C(C)COCC1CCC1 34a_100000760304_100135422193 [0,1,0,1,0,0|1,0,0]=3 6482 B15R1.2618 CCOC(=O)C=C(C)COCC1CCO1 34a_100000039022_100135422193 [0,1,0,1,0,0|2,0,0]=4 6483 B15R1.2618 CCOC(=O)C=C(C)COCC1CNC1 34a_100016987283_100135422193 [0,1,0,1,0,0|2,0,0]=4 6484 B15R1.2618 CCOC(=O)C=C(C)COCC1COC1 34a_100000060846_100135422193 [0,1,0,1,0,0|2,0,0]=4 6485 B15R1.2618 CCOC(=O)C=C(C)CSCC1CCC1 62a_100000763275_100135422193 [0,1,0,1,0,0|1,0,0]=3 6486 B15R1.2618 CCOC(=O)C=C(C)CSCC1CCC1 62a_100135422193_100000763275 [0,1,0,1,0,0|1,0,0]=3 6487 B15R1.2618 CCOC(=O)C=C(C)CSCC1CCO1 62a_100000103362_100135422193 [0,1,0,1,0,0|2,0,0]=4 6488 B15R1.2618 CCOC(=O)C=C(C)CSCC1CCO1 62a_100135422193_100000103362 [0,1,0,1,0,0|2,0,0]=4 6489 B15R1.2618 CCOC(=O)C=C(C)CSCC1COC1 62a_100010264016_100135422193 [0,1,0,1,0,0|2,0,0]=4 6490 B15R1.2618 CCOC(=O)C=C(C)CSCC1COC1 62a_100135422193_100010264016 [0,1,0,1,0,0|2,0,0]=4 6491 B15R1.2618 CCOC(=O)CC(=O)CSCC1CCC1 62a_100000210311_100000763275 [0,1,0,1,0,0|1,0,1]=4 6492 B15R1.2618 CCOC(=O)CC(=O)CSCC1CCC1 62a_100000763275_100000210311 [0,1,0,1,0,0|1,0,1]=4 6493 B15R1.2618 CCOC(=O)NC(=O)CSCC1CCC1 62a_100000763275_100000010344 [0,1,0,1,0,0|2,0,0]=4 6494 B15R1.2619 CCOC(=O)C=C(C)CNCCC1CC1 34a_100000764129_100135422193 [0,1,0,1,0,0|1,0,0]=3 6495 B15R1.2619 CCOC(=O)C=C(C)COCCC1CC1 34a_100000754188_100135422193 [0,1,0,1,0,0|1,0,0]=3 6496 B15R1.2619 CCOC(=O)C=C(C)COCCC1CC1 7a_100000754188_100135422193 [0,1,0,1,0,0|1,0,0]=3 6497 B15R1.2619 CCOC(=O)C=C(C)COCC[C@@H]1CO1 34a_100009820653_100135422193 [0,1,0,1,0,0|2,0,0]=4 6498 B15R1.2619 CCOC(=O)C=C(C)CSCCC1CC1 62a_100000764125_100135422193 [0,1,0,1,0,0|1,0,0]=3 6499 B15R1.2619 CCOC(=O)C=C(C)CSCCC1CC1 62a_100135422193_100000764125 [0,1,0,1,0,0|1,0,0]=3 6500 B15R1.2619 CCOC(=O)C=C(C)CSCCC1CO1 62a_100000732470_100135422193 [0,1,0,1,0,0|2,0,0]=4 6501 B15R1.2619 CCOC(=O)C=C(C)CSCCC1CO1 62a_100135422193_100000732470 [0,1,0,1,0,0|2,0,0]=4 6502 B15R1.2619 CCOC(=O)CC(=O)CSCCC1CC1 62a_100000210311_100000764125 [0,1,0,1,0,0|1,0,1]=4 6503 B15R1.2619 CCOC(=O)CC(=O)CSCCC1CC1 62a_100000764125_100000210311 [0,1,0,1,0,0|1,0,1]=4 6504 B15R1.2619 CCOC(=O)NC(=O)COCCC1CC1 7a_100000754188_100000010344 [0,1,0,1,0,0|2,0,0]=4 6505 B15R1.2619 CCOC(=O)NC(=O)CSCCC1CC1 62a_100000764125_100000010344 [0,1,0,1,0,0|2,0,0]=4 6506 B15R1.3722 CCCC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_100000747444 [0,1,0,1,0,0|1,0,1]=4 6507 B15R1.3722 CCNC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_100000183381 [0,1,0,1,0,0|1,0,1]=4 6508 B15R1.3722 CCOC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_100000188475 [0,1,0,1,0,0|0,0,1]=3 6509 B15R1.3722 CCOC(=O)CC(=O)C1CCCCC1O 1458a_100011803323_100000188475 [0,1,0,1,0,0|1,0,1]=4 6510 B15R1.3722 CCOC(=O)CC(=O)N1CCCCC1C 240690a_100000211376_100000243816 [0,1,0,1,0,0|1,0,1]=4 6511 B15R1.3722 CCOC(=O)CC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000188475 [0,1,0,1,0,0|1,0,1]=4 6512 B15R1.3722 CCOC(=O)CN(C)C1CCCCC1C 270004a_100000220588_100000210921 [0,1,0,1,0,0|1,0,1]=4 6513 B15R1.3728 CCOC(=O)CC(=O)C1CCCN1CC 1458a_106256033941_100000188475 [0,1,0,1,0,0|1,0,1]=4 6514 B15R1.3728 CCOC(=O)CC(=O)N1CCCC1CC 240690a_100000754278_100000243816 [0,1,0,1,0,0|1,0,1]=4 6515 B15R1.3728 CCOC(=O)CN(C)C1CCCC1CC 270004a_100000220588_100000749056 [0,1,0,1,0,0|1,0,1]=4 6516 B15R1.3730 CCOC(=O)C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100135422193 [0,1,0,1,0,0|1,0,0]=3 6517 B15R1.3730 CCOC(=O)C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100135422193 [0,1,0,1,0,0|1,0,0]=3 6518 B15R1.3730 CCOC(=O)C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100135422193 [0,1,0,1,0,0|1,0,0]=3 6519 B15R1.3730 CCOC(=O)C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100135422193 [0,1,0,1,0,0|1,0,0]=3 6520 B15R1.3730 CCOC(=O)C=C(C)CN1CCC[C@H]1C 34a_100015189458_100135422193 [0,1,0,1,0,0|1,0,0]=3 6521 B15R1.3730 CCOC(=O)C=C(C)CN1CCSC1C 2230a_200011216479_100135422193 [0,1,0,1,0,0|2,0,0]=4 6522 B15R1.3730 CCOC(=O)C=C(C)CN1CCSC1C 269982a_200011216479_100135422193 [0,1,0,1,0,0|2,0,0]=4 6523 B15R1.3730 CCOC(=O)C=C(C)CN1CCSC1C 34a_200011216479_100135422193 [0,1,0,1,0,0|2,0,0]=4 6524 B15R1.3730 CCOC(=O)CC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000210311 [0,1,0,1,0,0|1,0,1]=4 6525 B15R1.3730 CCOC(=O)CC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000210311 [0,1,0,1,0,0|1,0,1]=4 6526 B15R1.3730 CCOC(=O)NC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000010344 [0,1,0,1,0,0|2,0,0]=4 6527 B15R1.3730 CCOC(=O)NC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000010344 [0,1,0,1,0,0|2,0,0]=4 6528 B15R1.4163 CCCCCCCn1cc(nn1)OCC 274090a_100000210614_100000036479 [0,1,0,1,0,0|2,0,0]=4 6529 B15R1.4163 CCCCCCSc1csc(n1)OCC 62a_100000210314_100011934640 [0,1,0,1,0,0|2,0,0]=4 6530 B15R1.4163 CCCCCCSc1csc(n1)OCC 62a_100011934640_100000210757 [0,1,0,1,0,0|2,0,0]=4 6531 B15R1.5906 CCCCCCCC(=O)C1CCCC1=O 1458a_100000211969_100000211823 [0,1,0,1,0,0|1,0,1]=4 6532 B15R1.5906 CCCCCCCC(=O)C1CCOC1=O 1458a_100000211969_100000211211 [0,1,0,1,0,0|0,0,1]=3 6533 B15R1.5906 CCCCCCCN(C)C1CCOC1=O 2230a_100000228206_100000211211 [0,1,0,1,0,0|1,0,1]=4 6534 B15R1.5906 CCCCCCCN(C)C1CCOC1=O 269982a_100000228206_100000211211 [0,1,0,1,0,0|1,0,1]=4 6535 B15R1.5906 COCCCCCC(=O)C1CCOC1=O 1458a_100011935119_100000211211 [0,1,0,1,0,0|1,0,1]=4 6536 B15R1.5906 O=C(CCCCCCO)C1CCOC1=O 1458a_100011996774_100000211211 [0,1,0,1,0,0|1,0,1]=4 6537 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000188475 [0,1,0,1,0,0|0,0,2]=4 6538 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000188475 [0,1,0,1,0,0|0,0,2]=4 6539 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000188475 [0,1,0,1,0,0|0,0,2]=4 6540 B15R1.11888 CCCCCCCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210614 [0,1,0,1,0,0|2,0,0]=4 6541 B15R1.11888 CCCCCCCC(=O)CC(=O)C1CC1 1458a_100000211969_100000746382 [0,1,0,1,0,0|1,0,1]=4 6542 B15R1.16078 CCCC(=CC(=O)C1CCCCCC1)C 1458a_100020676950_100011217769 [0,1,0,1,0,0|2,0,0]=4 6543 B15R1.16078 CCCC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000747444 [0,1,0,1,0,0|1,0,1]=4 6544 B15R1.16078 CCNC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000183381 [0,1,0,1,0,0|1,0,1]=4 6545 B15R1.16078 CCOC(=O)CC(=O)C1CCCCCC1 1458a_100000243816_100011217769 [0,1,0,1,0,0|0,0,1]=3 6546 B15R1.16078 CCOC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000188475 [0,1,0,1,0,0|0,0,1]=3 6547 B15R1.16078 CCOC(=O)CC(=O)N1CCCCCC1 240690a_100000185865_100000243816 [0,1,0,1,0,0|1,0,1]=4 6548 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 2230a_100015185097_100000188475 [0,1,0,1,0,0|1,0,1]=4 6549 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000188475 [0,1,0,1,0,0|1,0,1]=4 6550 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 270004a_100000220588_100000210131 [0,1,0,1,0,0|1,0,1]=4 6551 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 34a_100015185097_100000188475 [0,1,0,1,0,0|1,0,1]=4 6552 B15R1.826 C=C(CNC1CCCCC1)C(=O)OCC 34a_100000182618_100000755967 [0,1,0,1,0,0|1,0,1]=4 6553 B15R1.826 C=C(COC1CCCCC1)C(=O)OCC 34a_100000210231_100000755967 [0,1,0,1,0,0|1,0,1]=4 6554 B15R1.826 C=C(COC1CCCCC1)C(=O)OCC 7a_100000210231_100000755967 [0,1,0,1,0,0|1,0,1]=4 6555 B15R1.826 C=C(CSC1CCCCC1)C(=O)OCC 62a_100000210327_100000755967 [0,1,0,1,0,0|1,0,1]=4 6556 B15R1.826 C=C(CSC1CCCCC1)C(=O)OCC 62a_100000755967_100000210327 [0,1,0,1,0,0|1,0,1]=4 6557 B15R1.826 CCNC(=O)C(=O)CCC1CCCCC1 1458a_200011297158_100011273959 [0,1,0,1,0,0|1,0,1]=4 6558 B15R1.826 CCNC(=O)C(=O)NCC1CCCCC1 1626a_100000210473_200011297158 [0,1,0,1,0,0|2,0,0]=4 6559 B15R1.826 CCNC(=O)C(=O)NCC1CCCCC1 240690a_100000210473_200011297158 [0,1,0,1,0,0|2,0,0]=4 6560 B15R1.826 CCNC(=O)C(=O)NCC1CCCCC1 527a_100000210473_200011297158 [0,1,0,1,0,0|2,0,0]=4 6561 B15R1.826 CCOC(=O)C(=NNC1CCCCC1)C 4a_100000709804_100000209952 [0,1,0,1,0,0|2,0,0]=4 6562 B15R1.826 CCOC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100000211299 [0,1,0,1,0,0|1,0,1]=4 6563 B15R1.826 CCOC(=O)C(=O)CSC1CCCCC1 62a_100000211299_100000210327 [0,1,0,1,0,0|1,0,1]=4 6564 B15R1.826 CCOC(=O)C(=O)NCC1CCCCC1 11a_100000210473_100014798877 [0,1,0,1,0,0|1,0,0]=3 6565 B15R1.826 CCOC(=O)C(=O)NCC1CCCCC1 1626a_100000210473_100014798877 [0,1,0,1,0,0|1,0,0]=3 6566 B15R1.826 CCOC(=O)C(=O)NCC1CCCCC1 240690a_100000210473_100014798877 [0,1,0,1,0,0|1,0,0]=3 6567 B15R1.826 CCOC(=O)C(=O)NCC1CCCCO1 11a_100000174945_100014798877 [0,1,0,1,0,0|2,0,0]=4 6568 B15R1.826 CCOC(=O)C(=O)NCC1CCCCO1 1626a_100000174945_100014798877 [0,1,0,1,0,0|2,0,0]=4 6569 B15R1.826 CCOC(=O)C(=O)NCC1CCCCO1 240690a_100000174945_100014798877 [0,1,0,1,0,0|2,0,0]=4 6570 B15R1.826 CCOC(=O)C(=O)NCC1CCCOC1 11a_100000720124_100014798877 [0,1,0,1,0,0|2,0,0]=4 6571 B15R1.826 CCOC(=O)C(=O)NCC1CCCOC1 1626a_100000720124_100014798877 [0,1,0,1,0,0|2,0,0]=4 6572 B15R1.826 CCOC(=O)C(=O)NCC1CCCOC1 240690a_100000720124_100014798877 [0,1,0,1,0,0|2,0,0]=4 6573 B15R1.826 CCOC(=O)C(=O)NCC1CCOCC1 11a_100000746373_100014798877 [0,1,0,1,0,0|2,0,0]=4 6574 B15R1.826 CCOC(=O)C(=O)NCC1CCOCC1 1626a_100000746373_100014798877 [0,1,0,1,0,0|2,0,0]=4 6575 B15R1.826 CCOC(=O)C(=O)NCC1CCOCC1 240690a_100000746373_100014798877 [0,1,0,1,0,0|2,0,0]=4 6576 B15R1.826 CCOC(=O)C(=O)NCC1CCSCC1 11a_100015188806_100014798877 [0,1,0,1,0,0|2,0,0]=4 6577 B15R1.826 CCOC(=O)C(=O)NCC1CCSCC1 240690a_100015188806_100014798877 [0,1,0,1,0,0|2,0,0]=4 6578 B15R1.826 CCOC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100011215307 [0,1,0,1,0,0|1,0,1]=4 6579 B15R1.826 CCOC(=O)C(C)NCC1CCCCC1 34a_100000210473_100011216346 [0,1,0,1,0,0|1,0,1]=4 6580 B15R1.826 CCOC(=O)C(C)OCC1CCCCC1 34a_100000212181_100011216346 [0,1,0,1,0,0|1,0,1]=4 6581 B15R1.826 CCOC(=O)C(C)OCC1CCCCC1 7a_100000212181_100011216346 [0,1,0,1,0,0|1,0,1]=4 6582 B15R1.826 CCOC(=O)C(C)SCC1CCCCC1 62a_100000211423_100011216346 [0,1,0,1,0,0|1,0,1]=4 6583 B15R1.826 CCOC(=O)C(C)SCC1CCCCC1 62a_100011216346_100000211423 [0,1,0,1,0,0|1,0,1]=4 6584 B15R1.826 CCOC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100000760018 [0,1,0,1,0,0|1,0,1]=4 6585 B15R1.826 CCOC(=O)C(F)NCC1CCCCC1 34a_100000210473_100000760018 [0,1,0,1,0,0|1,0,1]=4 6586 B15R1.826 CCOC(=O)C(F)OCC1CCCCC1 34a_100000212181_100000760018 [0,1,0,1,0,0|1,0,1]=4 6587 B15R1.826 CCOC(=O)C(F)OCC1CCCCC1 7a_100000212181_100000040065 [0,1,0,1,0,0|1,0,1]=4 6588 B15R1.826 CCOC(=O)C(F)SCC1CCCCC1 62a_100000211423_100000760018 [0,1,0,1,0,0|1,0,1]=4 6589 B15R1.826 CCOC(=O)C(F)SCC1CCCCC1 62a_100000760018_100000211423 [0,1,0,1,0,0|1,0,1]=4 6590 B15R1.826 CCOC(=O)[C@H](C)OCC1CCCCC1 7a_100000751109_100000211423 [0,1,0,1,0,0|1,0,1]=4 6591 B15R1.3934 C=C(CN1CCCC1CC)C(=O)OCC 269982a_100000754278_100000755967 [0,1,0,1,0,0|1,0,1]=4 6592 B15R1.3934 C=C(CN1CCCC1CC)C(=O)OCC 34a_100000754278_100000755967 [0,1,0,1,0,0|1,0,1]=4 6593 B15R1.3934 CCOC(=O)C(=O)CN1CCCC1CC 269982a_100000754278_100000211299 [0,1,0,1,0,0|1,0,1]=4 6594 B15R1.3935 C=C(COC1CCCC1C)C(=O)OCC 34a_100011216460_100000755967 [0,1,0,1,0,0|1,0,1]=4 6595 B15R1.3935 C=C(COC1CCCC1C)C(=O)OCC 7a_100011216460_100000755967 [0,1,0,1,0,0|1,0,1]=4 6596 B15R1.3935 CCOC(=O)C(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100014798877 [0,1,0,1,0,0|2,0,0]=4 6597 B15R1.3954 CCNC(=O)C(=O)N1CCCCC1CC 1626a_100000210034_200011297158 [0,1,0,1,0,0|2,0,0]=4 6598 B15R1.3954 CCNC(=O)C(=O)N1CCCCC1CC 240690a_100000210034_200011297158 [0,1,0,1,0,0|2,0,0]=4 6599 B15R1.3954 CCNC(=O)C(=O)N1CCCCC1CC 527a_100000210034_200011297158 [0,1,0,1,0,0|2,0,0]=4 6600 B15R1.3954 CCOC(=O)C(=O)N1CCCCC1CC 11a_100000210034_100014798877 [0,1,0,1,0,0|1,0,0]=3 6601 B15R1.3954 CCOC(=O)C(=O)N1CCCCC1CC 1626a_100000210034_100014798877 [0,1,0,1,0,0|1,0,0]=3 6602 B15R1.3954 CCOC(=O)C(=O)N1CCCCC1CC 240690a_100000210034_100014798877 [0,1,0,1,0,0|1,0,0]=3 6603 B15R1.3954 CCOC(=O)C(=O)N1CCCCC1CO 240690a_100000210821_100014798877 [0,1,0,1,0,0|2,0,0]=4 6604 B15R1.3954 CCOC(=O)C(=O)N1CCOC[C@@H]1CC 11a_100016988097_100014798877 [0,1,0,1,0,0|2,0,0]=4 6605 B15R1.3954 CCOC(=O)C(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100014798877 [0,1,0,1,0,0|2,0,0]=4 6606 B15R1.3954 CCOC(=O)C(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100014798877 [0,1,0,1,0,0|2,0,0]=4 6607 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CC 2230a_100000210034_100011215307 [0,1,0,1,0,0|1,0,1]=4 6608 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CC 269982a_100000210034_100011216346 [0,1,0,1,0,0|1,0,1]=4 6609 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CC 34a_100000210034_100011216346 [0,1,0,1,0,0|1,0,1]=4 6610 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CC 2230a_100000210034_100000760018 [0,1,0,1,0,0|1,0,1]=4 6611 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CC 269982a_100000210034_100000760018 [0,1,0,1,0,0|1,0,1]=4 6612 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CC 34a_100000210034_100000760018 [0,1,0,1,0,0|1,0,1]=4 6613 B15R1.3960 C=C(CN1CCCCC1C)C(=O)OCC 269982a_100000211376_100000755967 [0,1,0,1,0,0|1,0,1]=4 6614 B15R1.3960 C=C(CN1CCCCC1C)C(=O)OCC 34a_100000211376_100000755967 [0,1,0,1,0,0|1,0,1]=4 6615 B15R1.3960 CCNC(=O)C(=O)NC1CCCCC1C 1626a_100000211402_200011297158 [0,1,0,1,0,0|2,0,0]=4 6616 B15R1.3960 CCNC(=O)C(=O)NC1CCCCC1C 240690a_100000211402_200011297158 [0,1,0,1,0,0|2,0,0]=4 6617 B15R1.3960 CCNC(=O)C(=O)NC1CCCCC1C 527a_100000211402_200011297158 [0,1,0,1,0,0|2,0,0]=4 6618 B15R1.3960 CCOC(=O)C(=O)CN1CCCCC1C 269982a_100000211376_100000211299 [0,1,0,1,0,0|1,0,1]=4 6619 B15R1.3960 CCOC(=O)C(=O)NC1CCCCC1C 11a_100000211402_100014798877 [0,1,0,1,0,0|1,0,0]=3 6620 B15R1.3960 CCOC(=O)C(=O)NC1CCCCC1C 1626a_100000211402_100014798877 [0,1,0,1,0,0|1,0,0]=3 6621 B15R1.3960 CCOC(=O)C(=O)NC1CCCCC1C 240690a_100000211402_100014798877 [0,1,0,1,0,0|1,0,0]=3 6622 B15R1.3960 CCOC(=O)C(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100014798877 [0,1,0,1,0,0|2,0,0]=4 6623 B15R1.3960 CCOC(=O)C(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100014798877 [0,1,0,1,0,0|2,0,0]=4 6624 B15R1.3960 CCOC(=O)C(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100014798877 [0,1,0,1,0,0|2,0,0]=4 6625 B15R1.3960 CCOC(=O)C(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100014798877 [0,1,0,1,0,0|2,0,0]=4 6626 B15R1.3960 CCOC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100011215307 [0,1,0,1,0,0|1,0,1]=4 6627 B15R1.3960 CCOC(=O)C(C)NC1CCCCC1C 34a_100000211402_100011216346 [0,1,0,1,0,0|1,0,1]=4 6628 B15R1.3960 CCOC(=O)C(C)OC1CCCCC1C 34a_100000211207_100011216346 [0,1,0,1,0,0|1,0,1]=4 6629 B15R1.3960 CCOC(=O)C(C)OC1CCCCC1C 7a_100000211207_100011216346 [0,1,0,1,0,0|1,0,1]=4 6630 B15R1.3960 CCOC(=O)C(F)NC1CCCCC1C 2230a_100000211402_100000760018 [0,1,0,1,0,0|1,0,1]=4 6631 B15R1.3960 CCOC(=O)C(F)NC1CCCCC1C 34a_100000211402_100000760018 [0,1,0,1,0,0|1,0,1]=4 6632 B15R1.3960 CCOC(=O)C(F)OC1CCCCC1C 34a_100000211207_100000760018 [0,1,0,1,0,0|1,0,1]=4 6633 B15R1.3960 CCOC(=O)C(F)OC1CCCCC1C 7a_100000211207_100000040065 [0,1,0,1,0,0|1,0,1]=4 6634 B15R1.5365 CCCCCCCNC1CC(OC1=O)C 2230a_100000229938_200000216747 [0,1,0,1,0,0|1,0,1]=4 6635 B15R1.5365 CCCCCCCOC1CC(OC1=O)C 34a_100000210272_200000216747 [0,1,0,1,0,0|1,0,1]=4 6636 B15R1.5365 CCCCCCCOC1CC(OC1=O)C 7a_100000210272_200000216747 [0,1,0,1,0,0|1,0,1]=4 6637 B15R1.5365 CCCCCCCSC1CC(OC1=O)C 62a_100000210614_200000216747 [0,1,0,1,0,0|1,0,1]=4 6638 B15R1.5365 CCCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210316 [0,1,0,1,0,0|1,0,1]=4 6639 B15R1.5365 CCCCCCOCc1cc(oc1C)C 34a_100000688432_100000210314 [0,1,0,1,0,0|1,0,1]=4 6640 B15R1.5365 CCCCCCOCc1cc(oc1C)C 7a_100000688432_100000210314 [0,1,0,1,0,0|1,0,1]=4 6641 B15R1.5365 CCCCCCSCc1oc(=O)oc1C 62a_100000210314_100000068490 [0,1,0,1,0,0|1,0,1]=4 6642 B15R1.9676 CCOC(=O)C(=O)N1CCC[C@H]1COC 11a_100020646714_100014798877 [0,1,0,1,0,0|2,0,0]=4 6643 B15R1.9676 CCOC(=O)C(=O)N1CCC[C@H]1COC 1626a_100020646714_100014798877 [0,1,0,1,0,0|2,0,0]=4 6644 B15R1.9676 CCOC(=O)C(=O)N1CCC[C@H]1COC 240690a_100020646714_100014798877 [0,1,0,1,0,0|2,0,0]=4 6645 B15R1.9921 C=C(CNCC1CCCC1)C(=O)OCC 34a_100000737975_100000755967 [0,1,0,1,0,0|1,0,1]=4 6646 B15R1.9921 C=C(COCC1CCCC1)C(=O)OCC 34a_100000742336_100000755967 [0,1,0,1,0,0|1,0,1]=4 6647 B15R1.9921 C=C(COCC1CCCC1)C(=O)OCC 7a_100000742336_100000755967 [0,1,0,1,0,0|1,0,1]=4 6648 B15R1.9921 C=C(CSCC1CCCC1)C(=O)OCC 62a_100000740388_100000755967 [0,1,0,1,0,0|1,0,1]=4 6649 B15R1.9921 C=C(CSCC1CCCC1)C(=O)OCC 62a_100000755967_100000740388 [0,1,0,1,0,0|1,0,1]=4 6650 B15R1.9921 CCNC(=O)C(=O)CCCC1CCCC1 1458a_200011297158_100011713738 [0,1,0,1,0,0|1,0,1]=4 6651 B15R1.9921 CCNC(=O)C(=O)NCCC1CCCC1 1626a_100000739158_200011297158 [0,1,0,1,0,0|2,0,0]=4 6652 B15R1.9921 CCNC(=O)C(=O)NCCC1CCCC1 240690a_100000739158_200011297158 [0,1,0,1,0,0|2,0,0]=4 6653 B15R1.9921 CCNC(=O)C(=O)NCCC1CCCC1 527a_100000739158_200011297158 [0,1,0,1,0,0|2,0,0]=4 6654 B15R1.9921 CCOC(=O)C(=O)CSCC1CCCC1 62a_100000211299_100000740388 [0,1,0,1,0,0|1,0,1]=4 6655 B15R1.9921 CCOC(=O)C(=O)CSCC1CCCC1 62a_100000740388_100000211299 [0,1,0,1,0,0|1,0,1]=4 6656 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 11a_100000739158_100014798877 [0,1,0,1,0,0|1,0,0]=3 6657 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 1626a_100000739158_100014798877 [0,1,0,1,0,0|1,0,0]=3 6658 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 240690a_100000739158_100014798877 [0,1,0,1,0,0|1,0,0]=3 6659 B15R1.9921 CCOC(=O)C(=O)NCCN1CCCC1 240690a_100000212299_100014798877 [0,1,0,1,0,0|2,0,0]=4 6660 B15R1.9921 CCOC(=O)C(C)NCCC1CCCC1 2230a_100000739158_100011215307 [0,1,0,1,0,0|1,0,1]=4 6661 B15R1.9921 CCOC(=O)C(C)NCCC1CCCC1 34a_100000739158_100011216346 [0,1,0,1,0,0|1,0,1]=4 6662 B15R1.9921 CCOC(=O)C(C)OCCC1CCCC1 34a_100000749090_100011216346 [0,1,0,1,0,0|1,0,1]=4 6663 B15R1.9921 CCOC(=O)C(C)OCCC1CCCC1 7a_100000749090_100011216346 [0,1,0,1,0,0|1,0,1]=4 6664 B15R1.9921 CCOC(=O)C(C)SCCC1CCCC1 62a_100000760354_100011216346 [0,1,0,1,0,0|1,0,1]=4 6665 B15R1.9921 CCOC(=O)C(C)SCCC1CCCC1 62a_100011216346_100000760354 [0,1,0,1,0,0|1,0,1]=4 6666 B15R1.9921 CCOC(=O)C(F)NCCC1CCCC1 2230a_100000739158_100000760018 [0,1,0,1,0,0|1,0,1]=4 6667 B15R1.9921 CCOC(=O)C(F)NCCC1CCCC1 34a_100000739158_100000760018 [0,1,0,1,0,0|1,0,1]=4 6668 B15R1.9921 CCOC(=O)C(F)OCCC1CCCC1 34a_100000749090_100000760018 [0,1,0,1,0,0|1,0,1]=4 6669 B15R1.9921 CCOC(=O)C(F)OCCC1CCCC1 7a_100000749090_100000040065 [0,1,0,1,0,0|1,0,1]=4 6670 B15R1.9921 CCOC(=O)C(F)SCCC1CCCC1 62a_100000760018_100000760354 [0,1,0,1,0,0|1,0,1]=4 6671 B15R1.9921 CCOC(=O)C(F)SCCC1CCCC1 62a_100000760354_100000760018 [0,1,0,1,0,0|1,0,1]=4 6672 B15R1.9921 CCOC(=O)[C@H](C)OCCC1CCCC1 7a_100000751109_100000760354 [0,1,0,1,0,0|1,0,1]=4 6673 B15R1.16791 CCNC(=O)C(=O)N1CCCCCCC1 1626a_100000211400_200011297158 [0,1,0,1,0,0|2,0,0]=4 6674 B15R1.16791 CCNC(=O)C(=O)N1CCCCCCC1 240690a_100000211400_200011297158 [0,1,0,1,0,0|2,0,0]=4 6675 B15R1.16791 CCNC(=O)C(=O)N1CCCCCCC1 527a_100000211400_200011297158 [0,1,0,1,0,0|2,0,0]=4 6676 B15R1.16791 CCOC(=O)C(=O)N1CCCCCCC1 11a_100000211400_100014798877 [0,1,0,1,0,0|1,0,0]=3 6677 B15R1.16791 CCOC(=O)C(=O)N1CCCCCCC1 1626a_100000211400_100014798877 [0,1,0,1,0,0|1,0,0]=3 6678 B15R1.16791 CCOC(=O)C(=O)N1CCCCCCC1 240690a_100000211400_100014798877 [0,1,0,1,0,0|1,0,0]=3 6679 B15R1.16791 CCOC(=O)C(C)N1CCCCCCC1 2230a_100000211400_100011215307 [0,1,0,1,0,0|1,0,1]=4 6680 B15R1.16791 CCOC(=O)C(C)N1CCCCCCC1 269982a_100000211400_100011216346 [0,1,0,1,0,0|1,0,1]=4 6681 B15R1.16791 CCOC(=O)C(C)N1CCCCCCC1 34a_100000211400_100011216346 [0,1,0,1,0,0|1,0,1]=4 6682 B15R1.16791 CCOC(=O)C(F)N1CCCCCCC1 2230a_100000211400_100000760018 [0,1,0,1,0,0|1,0,1]=4 6683 B15R1.16791 CCOC(=O)C(F)N1CCCCCCC1 269982a_100000211400_100000760018 [0,1,0,1,0,0|1,0,1]=4 6684 B15R1.16791 CCOC(=O)C(F)N1CCCCCCC1 34a_100000211400_100000760018 [0,1,0,1,0,0|1,0,1]=4 6685 B15R1.16898 C=C(CN1CCCCCC1)C(=O)OCC 269982a_100000185865_100000755967 [0,1,0,1,0,0|1,0,1]=4 6686 B15R1.16898 C=C(CN1CCCCCC1)C(=O)OCC 34a_100000185865_100000755967 [0,1,0,1,0,0|1,0,1]=4 6687 B15R1.16898 CCCC(=O)C(=O)NC1CCCCCC1 1458a_100011297277_100000210303 [0,1,0,1,0,0|2,0,0]=4 6688 B15R1.16898 CCNC(=O)C(=O)CC1CCCCCC1 1458a_200011297158_200000696569 [0,1,0,1,0,0|1,0,1]=4 6689 B15R1.16898 CCNC(=O)C(=O)NC1CCCCCC1 1626a_100000210984_200011297158 [0,1,0,1,0,0|2,0,0]=4 6690 B15R1.16898 CCNC(=O)C(=O)NC1CCCCCC1 240690a_100000210984_200011297158 [0,1,0,1,0,0|2,0,0]=4 6691 B15R1.16898 CCNC(=O)C(=O)NC1CCCCCC1 240690a_100015525214_100011297277 [0,1,0,1,0,0|2,0,0]=4 6692 B15R1.16898 CCNC(=O)C(=O)NC1CCCCCC1 527a_100000210984_200011297158 [0,1,0,1,0,0|2,0,0]=4 6693 B15R1.16898 CCNC(=O)C(=O)NC1CCCCCC1 527a_100015525214_100011297277 [0,1,0,1,0,0|2,0,0]=4 6694 B15R1.16898 CCOC(=O)C(=O)CN1CCCCCC1 269982a_100000185865_100000211299 [0,1,0,1,0,0|1,0,1]=4 6695 B15R1.16898 CCOC(=O)C(=O)NC1CCCCCC1 11a_100000210984_100014798877 [0,1,0,1,0,0|1,0,0]=3 6696 B15R1.16898 CCOC(=O)C(=O)NC1CCCCCC1 1626a_100000210984_100014798877 [0,1,0,1,0,0|1,0,0]=3 6697 B15R1.16898 CCOC(=O)C(=O)NC1CCCCCC1 240690a_100000210984_100014798877 [0,1,0,1,0,0|1,0,0]=3 6698 B15R1.16898 CCOC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100011215307 [0,1,0,1,0,0|1,0,1]=4 6699 B15R1.16898 CCOC(=O)C(C)NC1CCCCCC1 34a_100000210984_100011216346 [0,1,0,1,0,0|1,0,1]=4 6700 B15R1.16898 CCOC(=O)C(C)OC1CCCCCC1 34a_100000210887_100011216346 [0,1,0,1,0,0|1,0,1]=4 6701 B15R1.16898 CCOC(=O)C(C)OC1CCCCCC1 7a_100000210887_100011216346 [0,1,0,1,0,0|1,0,1]=4 6702 B15R1.16898 CCOC(=O)C(C)SC1CCCCCC1 62a_100011216346_100011217769 [0,1,0,1,0,0|1,0,1]=4 6703 B15R1.16898 CCOC(=O)C(C)SC1CCCCCC1 62a_100011217769_100011216346 [0,1,0,1,0,0|1,0,1]=4 6704 B15R1.16898 CCOC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100000760018 [0,1,0,1,0,0|1,0,1]=4 6705 B15R1.16898 CCOC(=O)C(F)NC1CCCCCC1 34a_100000210984_100000760018 [0,1,0,1,0,0|1,0,1]=4 6706 B15R1.16898 CCOC(=O)C(F)OC1CCCCCC1 34a_100000210887_100000760018 [0,1,0,1,0,0|1,0,1]=4 6707 B15R1.16898 CCOC(=O)C(F)OC1CCCCCC1 7a_100000210887_100000040065 [0,1,0,1,0,0|1,0,1]=4 6708 B15R1.16898 CCOC(=O)C(F)SC1CCCCCC1 62a_100000760018_100011217769 [0,1,0,1,0,0|1,0,1]=4 6709 B15R1.16898 CCOC(=O)C(F)SC1CCCCCC1 62a_100011217769_100000760018 [0,1,0,1,0,0|1,0,1]=4 6710 B15R1.34 CCCCCCCC=Cc1nnc(o1)C 271570a_100134823654_100000708914 [0,1,0,1,0,0|1,0,1]=4 6711 B15R1.34 CCCCCCCC=Cc1noc(n1)C 271570a_100134823654_100012003639 [0,1,0,1,0,0|1,0,1]=4 6712 B15R1.1033 CCCCCCc1ccc(cc1)OCC 34a_100000011238_100000210202 [0,1,0,1,0,0|1,0,1]=4 6713 B15R1.1033 CCCCCCc1ccc(cc1)OCC 7a_100000011238_100000210202 [0,1,0,1,0,0|1,0,1]=4 6714 B15R1.3515 CCCCCCCCNC1CCOC1=O 2230a_100000229939_100000211211 [0,1,0,1,0,0|0,0,2]=4 6715 B15R1.3515 CCCCCCCCNC1CCOC1=O 34a_100000229939_100000211211 [0,1,0,1,0,0|0,0,2]=4 6716 B15R1.3515 CCCCCCCCOC1CCOC1=O 34a_100000210232_100000211211 [0,1,0,1,0,0|0,0,2]=4 6717 B15R1.3515 CCCCCCCCOC1CCOC1=O 7a_100000210232_100000211211 [0,1,0,1,0,0|0,0,2]=4 6718 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000210759_100000211211 [0,1,0,1,0,0|0,0,2]=4 6719 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000211211_100000210317 [0,1,0,1,0,0|0,0,2]=4 6720 B15R1.3515 CCCCCNCCOC1CCOC1=O 34a_100000224656_100000211211 [0,1,0,1,0,0|1,0,1]=4 6721 B15R1.3515 CCCCCOCCOC1CCOC1=O 34a_100011215259_100000211211 [0,1,0,1,0,0|1,0,1]=4 6722 B15R1.3515 CCCCCOCCOC1CCOC1=O 7a_100011215259_100000211211 [0,1,0,1,0,0|1,0,1]=4 6723 B15R1.3515 CCCCOCCCNC1CCOC1=O 2230a_200000211371_100000211211 [0,1,0,1,0,0|1,0,1]=4 6724 B15R1.3515 CCCCOCCCNC1CCOC1=O 34a_200000211371_100000211211 [0,1,0,1,0,0|1,0,1]=4 6725 B15R1.3515 CCCCOCCCOC1CCOC1=O 34a_200011215613_100000211211 [0,1,0,1,0,0|1,0,1]=4 6726 B15R1.3515 CCCCOCCCOC1CCOC1=O 7a_200011215613_100000211211 [0,1,0,1,0,0|1,0,1]=4 6727 B15R1.3515 COCCCCCCOC1CCOC1=O 34a_200012092642_100000211211 [0,1,0,1,0,0|1,0,1]=4 6728 B15R1.3515 COCCCCCCOC1CCOC1=O 7a_200012092642_100000211211 [0,1,0,1,0,0|1,0,1]=4 6729 B15R1.3515 COCCCCCCSC1CCOC1=O 62a_100000211211_100011998445 [0,1,0,1,0,0|1,0,1]=4 6730 B15R1.3515 COCCCCCCSC1CCOC1=O 62a_100011998445_100000211211 [0,1,0,1,0,0|1,0,1]=4 6731 B15R1.3515 NCCCCCCCOC1CCOC1=O 34a_100011996573_100000211211 [0,1,0,1,0,0|1,0,1]=4 6732 B15R1.3515 O=C1OCCC1NCCCCCCCO 2230a_100011996573_100000211211 [0,1,0,1,0,0|1,0,1]=4 6733 B15R1.3515 O=C1OCCC1NCCCCCCCO 34a_100011996573_100000211211 [0,1,0,1,0,0|1,0,1]=4 6734 B15R1.3515 O=C1OCCC1OCCCCCCCBr 34a_100000760002_100000211211 [0,1,0,1,0,0|1,0,1]=4 6735 B15R1.3515 O=C1OCCC1OCCCCCCCBr 7a_100000760002_100000211211 [0,1,0,1,0,0|1,0,1]=4 6736 B15R1.3515 O=C1OCCC1SCCCCCCCO 62a_100000211211_100000760002 [0,1,0,1,0,0|1,0,1]=4 6737 B15R1.3515 O=C1OCCC1SCCCCCCCO 62a_100000760002_100000211211 [0,1,0,1,0,0|1,0,1]=4 6738 B15R1.778 CCCC(=O)NN=CCC1CCCCC1 4a_100000189770_100011713444 [0,1,0,1,0,0|2,0,0]=4 6739 B15R1.778 CCOC(=O)/C=C/CNC1CCCCC1 2230a_100000182618_100016267167 [0,1,0,1,0,0|0,0,0]=2 6740 B15R1.778 CCOC(=O)/C=C/CNC1CCCCC1 34a_100000182618_100016267167 [0,1,0,1,0,0|0,0,0]=2 6741 B15R1.778 CCOC(=O)/C=C/CNC1CCCOC1 2230a_100000719290_100016267167 [0,1,0,1,0,0|1,0,0]=3 6742 B15R1.778 CCOC(=O)/C=C/CNC1CCCOC1 34a_100000719290_100016267167 [0,1,0,1,0,0|1,0,0]=3 6743 B15R1.778 CCOC(=O)/C=C/CNC1CCOCC1 2230a_100000741149_100016267167 [0,1,0,1,0,0|1,0,0]=3 6744 B15R1.778 CCOC(=O)/C=C/CNC1CCOCC1 34a_100000741149_100016267167 [0,1,0,1,0,0|1,0,0]=3 6745 B15R1.778 CCOC(=O)/C=C/CNC1CCSCC1 2230a_100000748639_100016267167 [0,1,0,1,0,0|1,0,0]=3 6746 B15R1.778 CCOC(=O)/C=C/CNC1CCSCC1 34a_100000748639_100016267167 [0,1,0,1,0,0|1,0,0]=3 6747 B15R1.778 CCOC(=O)/C=C/COC1C=CCCC1 34a_100011215024_100016267167 [0,1,0,1,0,0|0,0,2]=4 6748 B15R1.778 CCOC(=O)/C=C/COC1CC=CCC1 34a_100000073881_100016267167 [0,1,0,1,0,0|0,0,2]=4 6749 B15R1.778 CCOC(=O)/C=C/COC1CCCCC1 34a_100000210231_100016267167 [0,1,0,1,0,0|0,0,0]=2 6750 B15R1.778 CCOC(=O)/C=C/COC1CCCCC1 7a_100000210231_100016267167 [0,1,0,1,0,0|0,0,0]=2 6751 B15R1.778 CCOC(=O)/C=C/COC1CCCCO1 34a_100000033831_100016267167 [0,1,0,1,0,0|1,0,0]=3 6752 B15R1.778 CCOC(=O)/C=C/COC1CCCOC1 34a_100000754041_100016267167 [0,1,0,1,0,0|1,0,0]=3 6753 B15R1.778 CCOC(=O)/C=C/COC1CCCSC1 7a_100015962668_100016267167 [0,1,0,1,0,0|1,0,0]=3 6754 B15R1.778 CCOC(=O)/C=C/COC1CCOCC1 34a_100000744328_100016267167 [0,1,0,1,0,0|1,0,0]=3 6755 B15R1.778 CCOC(=O)/C=C/COC1CCSCC1 34a_100000731022_100016267167 [0,1,0,1,0,0|1,0,0]=3 6756 B15R1.778 CCOC(=O)/C=C/COC1CCSCC1 7a_100000731022_100016267167 [0,1,0,1,0,0|1,0,0]=3 6757 B15R1.778 CCOC(=O)/C=C/CSC1C=CCCC1 62a_100000751183_100016267167 [0,1,0,1,0,0|0,0,2]=4 6758 B15R1.778 CCOC(=O)/C=C/CSC1C=CCCC1 62a_100016267167_100000751183 [0,1,0,1,0,0|0,0,2]=4 6759 B15R1.778 CCOC(=O)/C=C/CSC1CCCCC1 62a_100000210327_100016267167 [0,1,0,1,0,0|0,0,0]=2 6760 B15R1.778 CCOC(=O)/C=C/CSC1CCCCC1 62a_100016267167_100000210327 [0,1,0,1,0,0|0,0,0]=2 6761 B15R1.778 CCOC(=O)/C=C/CSC1CCCOC1 62a_100016267167_100000693364 [0,1,0,1,0,0|1,0,0]=3 6762 B15R1.778 CCOC(=O)/C=C/CSC1CCOCC1 62a_100016267167_100011324220 [0,1,0,1,0,0|1,0,0]=3 6763 B15R1.778 CCOC(=O)/C=C/CSC1CCSCC1 62a_100016267167_100000069128 [0,1,0,1,0,0|1,0,0]=3 6764 B15R1.778 CCOC(=O)C=NNCC1CCCCC1 4a_100000740227_100000742314 [0,1,0,1,0,0|1,0,0]=3 6765 B15R1.778 CCOC(=O)C=NNCC1CCOCC1 4a_200000757053_100000742314 [0,1,0,1,0,0|2,0,0]=4 6766 B15R1.778 CCOC(=O)CCCNC1CCCCC1 2230a_100000182618_100009991533 [0,1,0,1,0,0|0,0,2]=4 6767 B15R1.778 CCOC(=O)CCCNC1CCCCC1 34a_100000182618_100009991533 [0,1,0,1,0,0|0,0,2]=4 6768 B15R1.778 CCOC(=O)CCCOC1CCCCC1 34a_100000210231_100009991533 [0,1,0,1,0,0|0,0,2]=4 6769 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100000210231_100011215271 [0,1,0,1,0,0|0,0,2]=4 6770 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100012001163_100000210327 [0,1,0,1,0,0|0,0,2]=4 6771 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100000210327_100009991533 [0,1,0,1,0,0|0,0,2]=4 6772 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100009991533_100000210327 [0,1,0,1,0,0|0,0,2]=4 6773 B15R1.778 CCOC(=O)CCNCC1CCCCC1 2230a_100000210473_100011206558 [0,1,0,1,0,0|0,0,2]=4 6774 B15R1.778 CCOC(=O)CCNCC1CCCCC1 34a_100000210473_100000765890 [0,1,0,1,0,0|0,0,2]=4 6775 B15R1.778 CCOC(=O)CCOCC1CCCCC1 34a_100000212181_100000765890 [0,1,0,1,0,0|0,0,2]=4 6776 B15R1.778 CCOC(=O)CCOCC1CCCCC1 7a_100000212181_100011206558 [0,1,0,1,0,0|0,0,2]=4 6777 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000211423_100000765890 [0,1,0,1,0,0|0,0,2]=4 6778 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000765890_100000211423 [0,1,0,1,0,0|0,0,2]=4 6779 B15R1.778 CCOC(=O)CNCCC1CCCCC1 2230a_100000738074_100000188475 [0,1,0,1,0,0|0,0,2]=4 6780 B15R1.778 CCOC(=O)CNCCC1CCCCC1 34a_100000738074_100000188475 [0,1,0,1,0,0|0,0,2]=4 6781 B15R1.778 CCOC(=O)CNCCC1CCCCO1 2230a_100015183643_100000188475 [0,1,0,1,0,0|1,0,1]=4 6782 B15R1.778 CCOC(=O)CNCCC1CCCCO1 34a_100015183643_100000188475 [0,1,0,1,0,0|1,0,1]=4 6783 B15R1.778 CCOC(=O)CNCCC1CCOCC1 2230a_100000755988_100000188475 [0,1,0,1,0,0|1,0,1]=4 6784 B15R1.778 CCOC(=O)CNCCC1CCOCC1 34a_100000755988_100000188475 [0,1,0,1,0,0|1,0,1]=4 6785 B15R1.778 CCOC(=O)COCCC1CCCCC1 34a_100011217863_100000188475 [0,1,0,1,0,0|0,0,2]=4 6786 B15R1.778 CCOC(=O)COCCC1CCCCC1 7a_100011217863_100000188475 [0,1,0,1,0,0|0,0,2]=4 6787 B15R1.778 CCOC(=O)COCCC1CCCCN1 34a_100000211664_100000188475 [0,1,0,1,0,0|1,0,1]=4 6788 B15R1.778 CCOC(=O)COCCC1CCCNC1 34a_100000752241_100000188475 [0,1,0,1,0,0|1,0,1]=4 6789 B15R1.778 CCOC(=O)COCCC1CCNCC1 34a_100015190746_100000188475 [0,1,0,1,0,0|1,0,1]=4 6790 B15R1.778 CCOC(=O)COCCC1CCOCC1 34a_100011933979_100000188475 [0,1,0,1,0,0|1,0,1]=4 6791 B15R1.778 CCOC(=O)COCCC1CCOCC1 7a_100011933979_100000188475 [0,1,0,1,0,0|1,0,1]=4 6792 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100000188475_100012355289 [0,1,0,1,0,0|0,0,2]=4 6793 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100012355289_100000188475 [0,1,0,1,0,0|0,0,2]=4 6794 B15R1.778 CCOC(=O)CSCCC1CCOCC1 62a_100000188475_100011934994 [0,1,0,1,0,0|1,0,1]=4 6795 B15R1.778 CCOC(=O)CSCCC1CCOCC1 62a_100011934994_100000188475 [0,1,0,1,0,0|1,0,1]=4 6796 B15R1.778 CCOC(=O)CSCCN1CCCCC1 62a_100000188475_100000739454 [0,1,0,1,0,0|1,0,1]=4 6797 B15R1.778 CCOC(=O)CSCCN1CCCCC1 62a_100000739454_100000188475 [0,1,0,1,0,0|1,0,1]=4 6798 B15R1.778 CCOC(=O)CSCOC1CCCCC1 62a_100000188475_100011935260 [0,1,0,1,0,0|1,0,1]=4 6799 B15R1.778 CCOC(=O)CSCOC1CCCCC1 62a_100011935260_100000188475 [0,1,0,1,0,0|1,0,1]=4 6800 B15R1.778 CCOC(=O)NCCOC1CCCCC1 34a_100000158857_100000210327 [0,1,0,1,0,0|1,0,1]=4 6801 B15R1.778 CCOC(=O)NCCOC1CCCCC1 7a_100000210231_200011445536 [0,1,0,1,0,0|1,0,1]=4 6802 B15R1.778 CCOC(=O)NCCSC1CCCCC1 62a_100000210327_200011445536 [0,1,0,1,0,0|1,0,1]=4 6803 B15R1.778 CCOC(=O)OCSCC1CCCCC1 62a_100000211423_100000075025 [0,1,0,1,0,0|1,0,1]=4 6804 B15R1.778 CCOC(=O)[CH-]C=NNC1CCCCC1 4a_100000709804_100010622808 [0,1,0,1,0,0|1,0,1]=4 6805 B15R1.1220 CCCOC(=O)CNCCC1CCCC1 2230a_100000739158_200011215008 [0,1,0,1,0,0|1,0,1]=4 6806 B15R1.1220 CCCOC(=O)CNCCC1CCCC1 34a_100000739158_200011215008 [0,1,0,1,0,0|1,0,1]=4 6807 B15R1.1220 CCCOC(=O)COCCC1CCCC1 34a_100000749090_200011215008 [0,1,0,1,0,0|1,0,1]=4 6808 B15R1.1220 CCCOC(=O)COCCC1CCCC1 7a_100000749090_200011215008 [0,1,0,1,0,0|1,0,1]=4 6809 B15R1.1220 CCCOC(=O)CSCCC1CCCC1 62a_100000760354_200011215008 [0,1,0,1,0,0|1,0,1]=4 6810 B15R1.1220 CCCOC(=O)CSCCC1CCCC1 62a_200011215008_100000760354 [0,1,0,1,0,0|1,0,1]=4 6811 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 11a_100000736752_100000211967 [0,1,0,1,0,0|1,0,1]=4 6812 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211967 [0,1,0,1,0,0|1,0,1]=4 6813 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211967 [0,1,0,1,0,0|1,0,1]=4 6814 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 527a_100000736752_100000211967 [0,1,0,1,0,0|1,0,1]=4 6815 B15R1.1252 CCOC(=O)/C=C/CN1CCCCC1C 2230a_100000211376_100016267167 [0,1,0,1,0,0|0,0,0]=2 6816 B15R1.1252 CCOC(=O)/C=C/CN1CCCCC1C 269982a_100000211376_100016267167 [0,1,0,1,0,0|0,0,0]=2 6817 B15R1.1252 CCOC(=O)/C=C/CN1CCCCC1C 34a_100000211376_100016267167 [0,1,0,1,0,0|0,0,0]=2 6818 B15R1.1252 CCOC(=O)/C=C/CN1CCOC[C@@H]1C 2230a_100009815349_100016267167 [0,1,0,1,0,0|1,0,0]=3 6819 B15R1.1252 CCOC(=O)/C=C/CN1CCOC[C@@H]1C 269982a_100009815349_100016267167 [0,1,0,1,0,0|1,0,0]=3 6820 B15R1.1252 CCOC(=O)/C=C/CN1CCOC[C@@H]1C 34a_100009815349_100016267167 [0,1,0,1,0,0|1,0,0]=3 6821 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 2230a_100000211376_100009991533 [0,1,0,1,0,0|0,0,2]=4 6822 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 269982a_100000211376_100009991533 [0,1,0,1,0,0|0,0,2]=4 6823 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 34a_100000211376_100009991533 [0,1,0,1,0,0|0,0,2]=4 6824 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 2230a_100000211402_100011206558 [0,1,0,1,0,0|0,0,2]=4 6825 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 34a_100000211402_100000765890 [0,1,0,1,0,0|0,0,2]=4 6826 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 34a_100000211207_100000765890 [0,1,0,1,0,0|0,0,2]=4 6827 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 7a_100000211207_100011206558 [0,1,0,1,0,0|0,0,2]=4 6828 B15R1.1252 CCOC(=O)CNCC1CCCCC1O 34a_100011216029_100000188475 [0,1,0,1,0,0|1,0,1]=4 6829 B15R1.1252 CCOC(=O)CNCC1CCCCN1C 34a_100011228421_100000188475 [0,1,0,1,0,0|1,0,1]=4 6830 B15R1.1252 CCOC(=O)COCC1CCCCN1C 34a_100000225079_100000188475 [0,1,0,1,0,0|1,0,1]=4 6831 B15R1.1252 CCOC(=O)CSCC1CCCCN1C 62a_100000188475_100015185383 [0,1,0,1,0,0|1,0,1]=4 6832 B15R1.1252 CCOC(=O)CSCC1CCCCN1C 62a_100015185383_100000188475 [0,1,0,1,0,0|1,0,1]=4 6833 B15R1.1252 CCOC(=O)NCCN1CCCCC1C 269982a_100000211376_200011445536 [0,1,0,1,0,0|1,0,1]=4 6834 B15R1.3858 CCOC(=O)COC1CC(CCC1C)C 34a_100011217446_100000188475 [0,1,0,1,0,0|1,0,1]=4 6835 B15R1.3858 CCOC(=O)COC1CC(CCC1C)C 7a_100011217446_100000188475 [0,1,0,1,0,0|1,0,1]=4 6836 B15R1.10329 CCOC(=O)/C=C/CN1C(CCC1C)C 2230a_100000687148_100016267167 [0,1,0,1,0,0|1,0,0]=3 6837 B15R1.10329 CCOC(=O)/C=C/CN1C(CCC1C)C 269982a_100000687148_100016267167 [0,1,0,1,0,0|1,0,0]=3 6838 B15R1.10329 CCOC(=O)/C=C/CN1C(CCC1C)C 34a_100000687148_100016267167 [0,1,0,1,0,0|1,0,0]=3 6839 B15R1.10422 CCOC(=O)/C=C/CNC(C)C1CCC1 2230a_100016994624_100016267167 [0,1,0,1,0,0|1,0,0]=3 6840 B15R1.10422 CCOC(=O)/C=C/CNC(C)C1CCC1 34a_100016994624_100016267167 [0,1,0,1,0,0|1,0,0]=3 6841 B15R1.10422 CCOC(=O)/C=C/COC(C)C1CCC1 34a_100000766398_100016267167 [0,1,0,1,0,0|1,0,0]=3 6842 B15R1.10422 CCOC(=O)/C=C/COC(C)C1CCC1 7a_100000766398_100016267167 [0,1,0,1,0,0|1,0,0]=3 6843 B15R1.16362 CCOC(=O)/C=C/CNC1(CCOC1)C 2230a_100000693475_100016267167 [0,1,0,1,0,0|2,0,0]=4 6844 B15R1.16362 CCOC(=O)/C=C/COC1(CCCC1)C 34a_100000751722_100016267167 [0,1,0,1,0,0|1,0,0]=3 6845 B15R1.16362 CCOC(=O)/C=C/COC1(CCCC1)C 7a_100000751722_100016267167 [0,1,0,1,0,0|1,0,0]=3 6846 B15R1.16362 CCOC(=O)CNCCC1(CCCC1)O 34a_100000719956_100000188475 [0,1,0,1,0,0|1,0,1]=4 6847 B15R1.1321 CCC(C)C(=O)C=CCN1CCCCC1 1458a_100015232380_100000758301 [0,1,0,1,0,0|2,0,0]=4 6848 B15R1.1321 CCN(C)C(=O)C=CCN1CCCCC1 11a_100000225621_100015232380 [0,1,0,1,0,0|2,0,0]=4 6849 B15R1.1321 CCN(C)C(=O)C=CCN1CCCCC1 240690a_100000225621_100015232380 [0,1,0,1,0,0|2,0,0]=4 6850 B15R1.9714 CCCCCCCC=CC(=O)C1CCC1 1458a_200015332781_100000749161 [0,1,0,1,0,0|1,0,0]=3 6851 B15R1.9714 CCCCCCCC=CC(=O)C1COC1 1458a_200015332781_100000687716 [0,1,0,1,0,0|1,0,0]=3 6852 B15R1.9714 CCCCCCCC=CC(=O)N1CCC1 11a_100000754969_200015332781 [0,1,0,1,0,0|1,0,0]=3 6853 B15R1.9714 CCCCCCCC=CC(=O)N1CCC1 240690a_100000754969_200015332781 [0,1,0,1,0,0|1,0,0]=3 6854 B15R1.9714 CCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210670 [0,1,0,1,0,0|0,0,2]=4 6855 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 11a_100000229939_100000089072 [0,1,0,1,0,0|1,0,1]=4 6856 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 1626a_100000229939_100000089072 [0,1,0,1,0,0|1,0,1]=4 6857 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 240690a_100000229939_100000089072 [0,1,0,1,0,0|1,0,1]=4 6858 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 527a_100000229939_100000089072 [0,1,0,1,0,0|1,0,1]=4 6859 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_100011215978 [0,1,0,1,0,0|1,0,1]=4 6860 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210826 [0,1,0,1,0,0|1,0,1]=4 6861 B15R1.89 CCOC(=O)C=CC(=O)C1CCCCC1 1458a_100000210415_100000210327 [0,1,0,1,0,0|0,0,1]=3 6862 B15R1.89 CCOC(=O)C=CC(=O)C1CCCOC1 1458a_100000210415_100000693364 [0,1,0,1,0,0|1,0,1]=4 6863 B15R1.89 CCOC(=O)C=CC(=O)C1CCOCC1 1458a_100000210415_100011324220 [0,1,0,1,0,0|1,0,1]=4 6864 B15R1.89 CCOC(=O)CN[C@H](C)C1CCCCC1 2230a_100025707633_100000188475 [0,1,0,1,0,0|1,0,1]=4 6865 B15R1.89 CCOC(=O)CN[C@H](C)C1CCCCC1 34a_100025707633_100000188475 [0,1,0,1,0,0|1,0,1]=4 6866 B15R1.89 CCOC(=O)COC(C)C1CCCCC1 34a_100011216961_100000188475 [0,1,0,1,0,0|1,0,1]=4 6867 B15R1.89 CCOC(=O)COC(C)C1CCCCC1 7a_100011216961_100000188475 [0,1,0,1,0,0|1,0,1]=4 6868 B15R1.796 CCOC(=O)C=CC(=O)CC1CCCC1 1458a_100000210415_100000740388 [0,1,0,1,0,0|0,0,1]=3 6869 B15R1.796 CCOC(=O)C=CC(=O)CC1CCCO1 1458a_100000210415_100000203698 [0,1,0,1,0,0|1,0,1]=4 6870 B15R1.796 CCOC(=O)C=CC(=O)CC1CCOC1 1458a_100000210415_100000702531 [0,1,0,1,0,0|1,0,1]=4 6871 B15R1.796 CCOC(=O)C=CC(=O)NC1CCCC1 1626a_100000211070_100000210415 [0,1,0,1,0,0|1,0,1]=4 6872 B15R1.796 CCOC(=O)C=CC(=O)NC1CCCC1 240690a_100000211070_100000210415 [0,1,0,1,0,0|1,0,1]=4 6873 B15R1.3974 CCCCCCC(C)NC1CCOC1=O 2230a_100000210919_100000211211 [0,1,0,1,0,0|1,0,1]=4 6874 B15R1.3974 CCCCCCC(C)NC1CCOC1=O 34a_100000210919_100000211211 [0,1,0,1,0,0|1,0,1]=4 6875 B15R1.3974 CCCCCCC(C)OC1CCOC1=O 34a_100000210265_100000211211 [0,1,0,1,0,0|1,0,1]=4 6876 B15R1.3974 CCCCCCC(C)OC1CCOC1=O 7a_100000210265_100000211211 [0,1,0,1,0,0|1,0,1]=4 6877 B15R1.3974 CCCCCCC(C)SC1CCOC1=O 62a_100000211211_100011215978 [0,1,0,1,0,0|1,0,1]=4 6878 B15R1.3974 CCCCCCC(C)SC1CCOC1=O 62a_100011215978_100000211211 [0,1,0,1,0,0|1,0,1]=4 6879 B15R1.4574 CCOC(=O)C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210415 [0,1,0,1,0,0|1,0,1]=4 6880 B15R1.4574 CCOC(=O)C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210415 [0,1,0,1,0,0|1,0,1]=4 6881 B15R1.10366 CCCC(=O)NN=C1CCCCCCC1 4a_100000189770_100000210524 [0,1,0,1,0,0|2,0,0]=4 6882 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 2230a_100000211400_100011206558 [0,1,0,1,0,0|0,0,2]=4 6883 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 269982a_100000211400_100011206558 [0,1,0,1,0,0|0,0,2]=4 6884 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 34a_100000211400_100000765890 [0,1,0,1,0,0|0,0,2]=4 6885 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 2230a_100000211152_100000188475 [0,1,0,1,0,0|0,0,2]=4 6886 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 34a_100000211152_100000188475 [0,1,0,1,0,0|0,0,2]=4 6887 B15R1.10366 CCOC(=O)COC1CCCCCCC1 34a_100000210054_100000188475 [0,1,0,1,0,0|0,0,2]=4 6888 B15R1.10366 CCOC(=O)COC1CCCCCCC1 7a_100000210054_100000188475 [0,1,0,1,0,0|0,0,2]=4 6889 B15R1.10468 CCOC(=O)C=CC(=O)NCC1CCC1 1626a_100000738700_100000210415 [0,1,0,1,0,0|1,0,1]=4 6890 B15R1.10468 CCOC(=O)C=CC(=O)NCC1CCC1 240690a_100000738700_100000210415 [0,1,0,1,0,0|1,0,1]=4 6891 B15R1.10469 CCOC(=O)C=CC(=O)CCCC1CO1 1458a_100000210415_100000733510 [0,1,0,1,0,0|1,0,1]=4 6892 B15R1.10469 CCOC(=O)C=CC(=O)NCCC1CC1 1626a_100000764129_100000210415 [0,1,0,1,0,0|1,0,1]=4 6893 B15R1.10469 CCOC(=O)C=CC(=O)NCCC1CC1 240690a_100000764129_100000210415 [0,1,0,1,0,0|1,0,1]=4 6894 B15R1.36719 CCOC(=O)CNC1(CCCCCC1)C 2230a_100000704638_100000188475 [0,1,0,1,0,0|1,0,1]=4 6895 B15R1.36719 CCOC(=O)CNC1(CCCCCC1)C 34a_100000704638_100000188475 [0,1,0,1,0,0|1,0,1]=4 6896 B15R1.36719 CCOC(=O)COC1(CCCCCC1)C 34a_100000708895_100000188475 [0,1,0,1,0,0|1,0,1]=4 6897 B15R1.36719 CCOC(=O)COC1(CCCCCC1)C 7a_100000708895_100000188475 [0,1,0,1,0,0|1,0,1]=4 6898 B15R1.130 CC(C)OC(=O)CNC1CCCCC1C 2230a_100000211402_100011215430 [0,1,0,1,0,0|1,0,1]=4 6899 B15R1.130 CC(C)OC(=O)CNC1CCCCC1C 34a_100000211402_100011215430 [0,1,0,1,0,0|1,0,1]=4 6900 B15R1.130 CC(C)OC(=O)COC1CCCCC1C 34a_100000211207_100011215430 [0,1,0,1,0,0|1,0,1]=4 6901 B15R1.130 CC(C)OC(=O)COC1CCCCC1C 7a_100000211207_100011215430 [0,1,0,1,0,0|1,0,1]=4 6902 B15R1.1145 CCC1CCCCN1CC(=O)OC(C)C 2230a_100000210034_100011215430 [0,1,0,1,0,0|1,0,1]=4 6903 B15R1.1145 CCC1CCCCN1CC(=O)OC(C)C 269982a_100000210034_100011215430 [0,1,0,1,0,0|1,0,1]=4 6904 B15R1.1145 CCC1CCCCN1CC(=O)OC(C)C 34a_100000210034_100011215430 [0,1,0,1,0,0|1,0,1]=4 6905 B15R1.5503 CC(C)OC(=O)CNCCC1CCCC1 2230a_100000739158_100011215430 [0,1,0,1,0,0|1,0,1]=4 6906 B15R1.5503 CC(C)OC(=O)CNCCC1CCCC1 34a_100000739158_100011215430 [0,1,0,1,0,0|1,0,1]=4 6907 B15R1.5503 CC(C)OC(=O)COCCC1CCCC1 34a_100000749090_100011215430 [0,1,0,1,0,0|1,0,1]=4 6908 B15R1.5503 CC(C)OC(=O)COCCC1CCCC1 7a_100000749090_100011215430 [0,1,0,1,0,0|1,0,1]=4 6909 B15R1.5503 CC(C)OC(=O)CSCCC1CCCC1 62a_100000760354_100011215430 [0,1,0,1,0,0|1,0,1]=4 6910 B15R1.5503 CC(C)OC(=O)CSCCC1CCCC1 62a_100011215430_100000760354 [0,1,0,1,0,0|1,0,1]=4 6911 B15R1.9084 CC(C)CC(=O)C=CCN1CCCCC1 1458a_100015232380_100000210624 [0,1,0,1,0,0|2,0,0]=4 6912 B15R1.9084 CC(C)NC(=O)C=CCN1CCCCC1 11a_100138425928_100015232380 [0,1,0,1,0,0|2,0,0]=4 6913 B15R1.9084 CC(C)NC(=O)C=CCN1CCCCC1 240690a_100138425928_100015232380 [0,1,0,1,0,0|2,0,0]=4 6914 B15R1.9084 CC(C)OC(=O)CNCC1CCCCC1 2230a_100000210473_100011215430 [0,1,0,1,0,0|1,0,1]=4 6915 B15R1.9084 CC(C)OC(=O)CNCC1CCCCC1 34a_100000210473_100011215430 [0,1,0,1,0,0|1,0,1]=4 6916 B15R1.9084 CC(C)OC(=O)COCC1CCCCC1 34a_100000212181_100011215430 [0,1,0,1,0,0|1,0,1]=4 6917 B15R1.9084 CC(C)OC(=O)COCC1CCCCC1 7a_100000212181_100011215430 [0,1,0,1,0,0|1,0,1]=4 6918 B15R1.9084 CC(C)OC(=O)CSCC1CCCCC1 62a_100000211423_100011215430 [0,1,0,1,0,0|1,0,1]=4 6919 B15R1.9084 CC(C)OC(=O)CSCC1CCCCC1 62a_100011215430_100000211423 [0,1,0,1,0,0|1,0,1]=4 6920 B15R1.9084 CC(O)CC(=O)C=CCN1CCCCC1 1458a_100015232380_100011218427 [0,1,0,1,0,0|2,0,0]=4 6921 B15R1.9716 CCCCCCCC=CC(=O)CC1CC1 1458a_200015332781_100000742324 [0,1,0,1,0,0|1,0,0]=3 6922 B15R1.9716 CCCCCCCC=CC(=O)CC1CO1 1458a_200015332781_100011216344 [0,1,0,1,0,0|1,0,0]=3 6923 B15R1.9716 CCCCCCCC=CC(=O)CC1CS1 1458a_200015332781_100000031435 [0,1,0,1,0,0|1,0,0]=3 6924 B15R1.9716 CCCCCCCC=CC(=O)C[C@@H]1CO1 1458a_200015332781_100000745022 [0,1,0,1,0,0|1,0,0]=3 6925 B15R1.9716 CCCCCCCC=CC(=O)NC1CC1 1626a_100000212008_200015332781 [0,1,0,1,0,0|1,0,0]=3 6926 B15R1.9716 CCCCCCCC=CC(=O)NC1CC1 240690a_100000212008_200015332781 [0,1,0,1,0,0|1,0,0]=3 6927 B15R1.22532 CC(C)OC(=O)CNC1CCCCCC1 2230a_100000210984_100011215430 [0,1,0,1,0,0|1,0,1]=4 6928 B15R1.22532 CC(C)OC(=O)CNC1CCCCCC1 34a_100000210984_100011215430 [0,1,0,1,0,0|1,0,1]=4 6929 B15R1.22532 CC(C)OC(=O)COC1CCCCCC1 34a_100000210887_100011215430 [0,1,0,1,0,0|1,0,1]=4 6930 B15R1.22532 CC(C)OC(=O)COC1CCCCCC1 7a_100000210887_100011215430 [0,1,0,1,0,0|1,0,1]=4 6931 B15R1.22532 CC(C)OC(=O)CSC1CCCCCC1 62a_100011215430_100011217769 [0,1,0,1,0,0|1,0,1]=4 6932 B15R1.22532 CC(C)OC(=O)CSC1CCCCCC1 62a_100011217769_100011215430 [0,1,0,1,0,0|1,0,1]=4 6933 B15R1.22585 CC(C)OC(=O)CN1CCCCCCC1 2230a_100000211400_100011215430 [0,1,0,1,0,0|1,0,1]=4 6934 B15R1.22585 CC(C)OC(=O)CN1CCCCCCC1 269982a_100000211400_100011215430 [0,1,0,1,0,0|1,0,1]=4 6935 B15R1.22585 CC(C)OC(=O)CN1CCCCCCC1 34a_100000211400_100011215430 [0,1,0,1,0,0|1,0,1]=4 6936 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|0,0,2]=4 6937 B15R1.106 COCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011998445 [0,1,0,1,0,0|1,0,1]=4 6938 B15R1.106 O=C1CN(CCO1)CCCCCCCO 2230a_100000131268_100000760002 [0,1,0,1,0,0|1,0,1]=4 6939 B15R1.603 CCCC(=O)NN=C1CCCC1CCC 4a_100000189770_100000723119 [0,1,0,1,0,0|2,0,0]=4 6940 B15R1.768 CCCC(=O)NN=C1CCCCC1CC 4a_100000189770_100000757040 [0,1,0,1,0,0|2,0,0]=4 6941 B15R1.768 CCOC(=O)CCN1CCCCC1CC 2230a_100000210034_100011206558 [0,1,0,1,0,0|0,0,2]=4 6942 B15R1.768 CCOC(=O)CCN1CCCCC1CC 269982a_100000210034_100011206558 [0,1,0,1,0,0|0,0,2]=4 6943 B15R1.768 CCOC(=O)CCN1CCCCC1CC 34a_100000210034_100000765890 [0,1,0,1,0,0|0,0,2]=4 6944 B15R1.768 CCOC(=O)CNC1CCCCC1OC 34a_100011208099_100000188475 [0,1,0,1,0,0|1,0,1]=4 6945 B15R1.768 CCOC(=O)COC1CCCCC1CC 34a_100000210738_100000188475 [0,1,0,1,0,0|0,0,2]=4 6946 B15R1.768 CCOC(=O)COC1CCCCC1CC 7a_100000210738_100000188475 [0,1,0,1,0,0|0,0,2]=4 6947 B15R1.768 CCOC(=O)COC1CCCCC1CN 34a_100011216029_100000188475 [0,1,0,1,0,0|1,0,1]=4 6948 B15R1.768 CCOC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000188475 [0,1,0,1,0,0|1,0,1]=4 6949 B15R1.768 CCOC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000188475 [0,1,0,1,0,0|1,0,1]=4 6950 B15R1.768 CCOC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000188475 [0,1,0,1,0,0|1,0,1]=4 6951 B15R1.804 CCOC(=O)/C=C/CN1CC=CC1CC 2230a_100000730860_100016267167 [0,1,0,1,0,0|0,0,2]=4 6952 B15R1.804 CCOC(=O)/C=C/CN1CC=CC1CC 269982a_100000730860_100016267167 [0,1,0,1,0,0|0,0,2]=4 6953 B15R1.804 CCOC(=O)/C=C/CN1CC=CC1CC 34a_100000730860_100016267167 [0,1,0,1,0,0|0,0,2]=4 6954 B15R1.804 CCOC(=O)/C=C/CN1CCCC1C#N 2230a_100000701862_100016267167 [0,1,0,1,0,0|1,0,1]=4 6955 B15R1.804 CCOC(=O)/C=C/CN1CCCC1CC 2230a_100000754278_100016267167 [0,1,0,1,0,0|0,0,0]=2 6956 B15R1.804 CCOC(=O)/C=C/CN1CCCC1CC 269982a_100000754278_100016267167 [0,1,0,1,0,0|0,0,0]=2 6957 B15R1.804 CCOC(=O)/C=C/CN1CCCC1CC 34a_100000754278_100016267167 [0,1,0,1,0,0|0,0,0]=2 6958 B15R1.804 CCOC(=O)/C=C/CN1CCC[C@@H]1C#N 2230a_106645074975_100016267167 [0,1,0,1,0,0|1,0,1]=4 6959 B15R1.804 CCOC(=O)/C=C/CN1CCC[C@@H]1C#N 269982a_106645074975_100016267167 [0,1,0,1,0,0|1,0,1]=4 6960 B15R1.804 CCOC(=O)/C=C/CN1CCC[C@@H]1CO 2230a_100000745186_100016267167 [0,1,0,1,0,0|1,0,0]=3 6961 B15R1.804 CCOC(=O)/C=C/CN1CCC[C@@H]1CO 269982a_100000745186_100016267167 [0,1,0,1,0,0|1,0,0]=3 6962 B15R1.804 CCOC(=O)/C=C/CN1CCC[C@@H]1CO 34a_100000745186_100016267167 [0,1,0,1,0,0|1,0,0]=3 6963 B15R1.804 CCOC(=O)CCCN1CCCC1CC 2230a_100000754278_100009991533 [0,1,0,1,0,0|0,0,2]=4 6964 B15R1.804 CCOC(=O)CCCN1CCCC1CC 269982a_100000754278_100009991533 [0,1,0,1,0,0|0,0,2]=4 6965 B15R1.804 CCOC(=O)CCCN1CCCC1CC 34a_100000754278_100009991533 [0,1,0,1,0,0|0,0,2]=4 6966 B15R1.804 CCOC(=O)CNCC1CCCN1CC 2230a_100000211693_100000188475 [0,1,0,1,0,0|1,0,1]=4 6967 B15R1.804 CCOC(=O)COC[C@H]1CCCN1CC 34a_100011739246_100000188475 [0,1,0,1,0,0|1,0,1]=4 6968 B15R1.804 CCOC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000188475 [0,1,0,1,0,0|1,0,1]=4 6969 B15R1.804 CCOC(=O)NCCN1CCCC1CC 269982a_100000754278_200011445536 [0,1,0,1,0,0|1,0,1]=4 6970 B15R1.843 CCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210211 [0,1,0,1,0,0|0,0,2]=4 6971 B15R1.843 CCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210211 [0,1,0,1,0,0|0,0,2]=4 6972 B15R1.843 CCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210303 [0,1,0,1,0,0|0,0,2]=4 6973 B15R1.2461 CCCC(=O)NN=CC1CCCCCC1 4a_100000189770_200000763224 [0,1,0,1,0,0|2,0,0]=4 6974 B15R1.2461 CCOC(=O)/C=C/CN1CCCCCC1 2230a_100000185865_100016267167 [0,1,0,1,0,0|0,0,0]=2 6975 B15R1.2461 CCOC(=O)/C=C/CN1CCCCCC1 269982a_100000185865_100016267167 [0,1,0,1,0,0|0,0,0]=2 6976 B15R1.2461 CCOC(=O)/C=C/CN1CCCCCC1 34a_100000185865_100016267167 [0,1,0,1,0,0|0,0,0]=2 6977 B15R1.2461 CCOC(=O)/C=C/CN1CCCOCC1 2230a_100000685342_100016267167 [0,1,0,1,0,0|1,0,0]=3 6978 B15R1.2461 CCOC(=O)/C=C/CN1CCCOCC1 269982a_100000685342_100016267167 [0,1,0,1,0,0|1,0,0]=3 6979 B15R1.2461 CCOC(=O)/C=C/CN1CCCOCC1 34a_100000685342_100016267167 [0,1,0,1,0,0|1,0,0]=3 6980 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 2230a_100000185865_100009991533 [0,1,0,1,0,0|0,0,2]=4 6981 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 269982a_100000185865_100009991533 [0,1,0,1,0,0|0,0,2]=4 6982 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 34a_100000185865_100009991533 [0,1,0,1,0,0|0,0,2]=4 6983 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 2230a_100000210984_100011206558 [0,1,0,1,0,0|0,0,2]=4 6984 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 34a_100000210984_100000765890 [0,1,0,1,0,0|0,0,2]=4 6985 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 34a_100000210887_100000765890 [0,1,0,1,0,0|0,0,2]=4 6986 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 7a_100000210887_100011206558 [0,1,0,1,0,0|0,0,2]=4 6987 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100000765890_100011217769 [0,1,0,1,0,0|0,0,2]=4 6988 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100011217769_100000765890 [0,1,0,1,0,0|0,0,2]=4 6989 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 2230a_100015204231_100000188475 [0,1,0,1,0,0|0,0,2]=4 6990 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 34a_100015204231_100000188475 [0,1,0,1,0,0|0,0,2]=4 6991 B15R1.2461 CCOC(=O)COCC1CCCCCC1 34a_100000699130_100000188475 [0,1,0,1,0,0|0,0,2]=4 6992 B15R1.2461 CCOC(=O)COCC1CCCCCC1 7a_100000699130_100000188475 [0,1,0,1,0,0|0,0,2]=4 6993 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_100000188475_200000696569 [0,1,0,1,0,0|0,0,2]=4 6994 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_200000696569_100000188475 [0,1,0,1,0,0|0,0,2]=4 6995 B15R1.2461 CCOC(=O)NCCN1CCCCCC1 269982a_100000185865_200011445536 [0,1,0,1,0,0|1,0,1]=4 6996 B15R1.2461 CCOC(=O)OCSC1CCCCCC1 62a_100011217769_100000075025 [0,1,0,1,0,0|1,0,1]=4 6997 B15R1.3870 CCOC(=O)/C=C/CN1CCC1COC 2230a_100015195929_100016267167 [0,1,0,1,0,0|1,0,0]=3 6998 B15R1.3870 CCOC(=O)/C=C/CN1CCC1COC 269982a_100015195929_100016267167 [0,1,0,1,0,0|1,0,0]=3 6999 B15R1.3870 CCOC(=O)/C=C/CN1CCC1COC 34a_100015195929_100016267167 [0,1,0,1,0,0|1,0,0]=3 7000 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 2230a_100000701414_100000188475 [0,1,0,1,0,0|0,0,2]=4 7001 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 269982a_100000701414_100000188475 [0,1,0,1,0,0|0,0,2]=4 7002 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 34a_100000701414_100000188475 [0,1,0,1,0,0|0,0,2]=4 7003 B15R1.3880 CCCC1COCCN1CC(=O)OCC 2230a_102495339903_100000188475 [0,1,0,1,0,0|1,0,1]=4 7004 B15R1.3880 CCCC1COCCN1CC(=O)OCC 269982a_102495339903_100000188475 [0,1,0,1,0,0|1,0,1]=4 7005 B15R1.3880 CCCC1COCCN1CC(=O)OCC 34a_102495339903_100000188475 [0,1,0,1,0,0|1,0,1]=4 7006 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210303 [0,1,0,1,0,0|0,0,2]=4 7007 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210303 [0,1,0,1,0,0|0,0,2]=4 7008 B15R1.3880 CCOC(=O)CN1CCCCC1CCO 2230a_100000211664_100000188475 [0,1,0,1,0,0|1,0,1]=4 7009 B15R1.3880 CCOC(=O)CN1CCCCC1CCO 269982a_100000211664_100000188475 [0,1,0,1,0,0|1,0,1]=4 7010 B15R1.3880 CCOC(=O)CN1CCCCC1CCO 34a_100000211664_100000188475 [0,1,0,1,0,0|1,0,1]=4 7011 B15R1.3880 CCOC(=O)CN1CCCCC1COC 2230a_100015184032_100000188475 [0,1,0,1,0,0|1,0,1]=4 7012 B15R1.3880 CCOC(=O)CN1CCCCC1COC 269982a_100015184032_100000188475 [0,1,0,1,0,0|1,0,1]=4 7013 B15R1.3880 CCOC(=O)CN1CCCCC1COC 34a_100015184032_100000188475 [0,1,0,1,0,0|1,0,1]=4 7014 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210326 [0,1,0,1,0,0|0,0,2]=4 7015 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210215 [0,1,0,1,0,0|0,0,2]=4 7016 B15R1.9209 CCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210211 [0,1,0,1,0,0|0,0,2]=4 7017 B15R1.10442 CCOC(=O)/C=C/COCC#CC1CC1 34a_100000083941_100016267167 [0,1,0,1,0,0|0,0,2]=4 7018 B15R1.10442 CCOC(=O)/C=C/COCC#CC1CC1 7a_100000083941_100016267167 [0,1,0,1,0,0|0,0,2]=4 7019 B15R1.10442 CCOC(=O)/C=C/COCCNC1CC1 34a_100000738766_100016267167 [0,1,0,1,0,0|1,0,0]=3 7020 B15R1.10442 CCOC(=O)/C=C/CSCC#CC1CC1 62a_100009895102_100016267167 [0,1,0,1,0,0|0,0,2]=4 7021 B15R1.10442 CCOC(=O)/C=C/CSCC#CC1CC1 62a_100016267167_100009895102 [0,1,0,1,0,0|0,0,2]=4 7022 B15R1.10442 CCOC(=O)/C=C/CSCCCC1CO1 62a_100000733510_100016267167 [0,1,0,1,0,0|1,0,0]=3 7023 B15R1.10442 CCOC(=O)/C=C/CSCCCC1CO1 62a_100016267167_100000733510 [0,1,0,1,0,0|1,0,0]=3 7024 B15R1.10442 CCOC(=O)CCCCCCNC1CC1 34a_100000212008_100009814379 [0,1,0,1,0,0|0,0,2]=4 7025 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 2230a_100000735609_100000755133 [0,1,0,1,0,0|0,0,2]=4 7026 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 34a_100000735609_100000755133 [0,1,0,1,0,0|0,0,2]=4 7027 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 34a_100000211283_100000755133 [0,1,0,1,0,0|0,0,2]=4 7028 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 7a_100011214988_100000742324 [0,1,0,1,0,0|0,0,2]=4 7029 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000755133_100000742324 [0,1,0,1,0,0|0,0,2]=4 7030 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000756562_100000755133 [0,1,0,1,0,0|0,0,2]=4 7031 B15R1.10442 CCOC(=O)CCCCNCCC1CC1 34a_100000764129_100000750268 [0,1,0,1,0,0|0,0,2]=4 7032 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 34a_100000754188_100000750268 [0,1,0,1,0,0|0,0,2]=4 7033 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 7a_100000754188_100000750268 [0,1,0,1,0,0|0,0,2]=4 7034 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000750268_100000764125 [0,1,0,1,0,0|0,0,2]=4 7035 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000764125_100000750268 [0,1,0,1,0,0|0,0,2]=4 7036 B15R1.10442 CCOC(=O)COCCCNCC1CC1 2230a_100000735609_100009893628 [0,1,0,1,0,0|1,0,1]=4 7037 B15R1.10442 CCOC(=O)COCCCNCC1CC1 34a_100000735609_100009893628 [0,1,0,1,0,0|1,0,1]=4 7038 B15R1.10442 CCOC(=O)COCCCOCC1CC1 34a_100000211283_100009893628 [0,1,0,1,0,0|1,0,1]=4 7039 B15R1.10442 CCOC(=O)COCCCSCC1CC1 62a_100000756562_100009893628 [0,1,0,1,0,0|1,0,1]=4 7040 B15R1.10442 CCOC(=O)COCCCSCC1CC1 62a_100009893628_100000742324 [0,1,0,1,0,0|1,0,1]=4 7041 B15R1.10442 CCOC(=O)COCCNCCC1CC1 34a_100000764129_100000088970 [0,1,0,1,0,0|1,0,1]=4 7042 B15R1.10442 CCOC(=O)COCCOCCC1CC1 34a_100000754188_100000088970 [0,1,0,1,0,0|1,0,1]=4 7043 B15R1.10442 CCOC(=O)COCCOCCC1CC1 7a_100000754188_100000088970 [0,1,0,1,0,0|1,0,1]=4 7044 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000088970_100000764125 [0,1,0,1,0,0|1,0,1]=4 7045 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000764125_100000088970 [0,1,0,1,0,0|1,0,1]=4 7046 B15R1.10442 CCOC(=O)CSCCOCCC1CC1 7a_200000230590_100000764125 [0,1,0,1,0,0|1,0,1]=4 7047 B15R1.10442 CCOC(=O)NN=CCSCCC1CC1 62a_100000764125_100015372823 [0,1,0,1,0,0|2,0,0]=4 7048 B15R1.12171 CCCCCCCC=NNC(=O)C1CC1 4a_100000183419_100000210592 [0,1,0,1,0,0|2,0,0]=4 7049 B15R1.119 CC(C)CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210682 [0,1,0,1,0,0|1,0,1]=4 7050 B15R1.255 CC(C)CCCCCNC1CCOC1=O 2230a_100011290863_100000211211 [0,1,0,1,0,0|1,0,1]=4 7051 B15R1.255 CC(C)CCCCCNC1CCOC1=O 34a_100011290863_100000211211 [0,1,0,1,0,0|1,0,1]=4 7052 B15R1.255 CC(C)CCCCCOC1CCOC1=O 34a_100011995859_100000211211 [0,1,0,1,0,0|1,0,1]=4 7053 B15R1.255 CC(C)CCCCCOC1CCOC1=O 7a_100011995859_100000211211 [0,1,0,1,0,0|1,0,1]=4 7054 B15R1.255 CC(C)CCCCCSC1CCOC1=O 62a_100000210682_100000211211 [0,1,0,1,0,0|1,0,1]=4 7055 B15R1.255 CC(C)CCCCCSC1CCOC1=O 62a_100000211211_100000210682 [0,1,0,1,0,0|1,0,1]=4 7056 B15R1.1274 CCOC(=O)CN1CCCCC1C(C)C 2230a_100000757267_100000188475 [0,1,0,1,0,0|1,0,1]=4 7057 B15R1.1274 CCOC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000188475 [0,1,0,1,0,0|1,0,1]=4 7058 B15R1.1274 CCOC(=O)CN1CCCCC1C(C)C 34a_100000757267_100000188475 [0,1,0,1,0,0|1,0,1]=4 7059 B15R1.1280 CCOC(=O)CN1CCCC1CC(C)C 2230a_100000748429_100000188475 [0,1,0,1,0,0|1,0,1]=4 7060 B15R1.1280 CCOC(=O)CN1CCCC1CC(C)C 269982a_100000748429_100000188475 [0,1,0,1,0,0|1,0,1]=4 7061 B15R1.1280 CCOC(=O)CN1CCCC1CC(C)C 34a_100000748429_100000188475 [0,1,0,1,0,0|1,0,1]=4 7062 B15R1.9904 CCOC(=O)/C=C/CN1CCCC1(C)C 2230a_100000761399_100016267167 [0,1,0,1,0,0|1,0,0]=3 7063 B15R1.9904 CCOC(=O)/C=C/CN1CCCC1(C)C 269982a_100000761399_100016267167 [0,1,0,1,0,0|1,0,0]=3 7064 B15R1.9904 CCOC(=O)/C=C/CN1CCCC1(C)C 34a_100000761399_100016267167 [0,1,0,1,0,0|1,0,0]=3 7065 B15R1.9904 CCOC(=O)/C=C/CN1CCSC1(C)C 2230a_100011217261_100016267167 [0,1,0,1,0,0|2,0,0]=4 7066 B15R1.9904 CCOC(=O)/C=C/CN1CCSC1(C)C 269982a_100011217261_100016267167 [0,1,0,1,0,0|2,0,0]=4 7067 B15R1.9904 CCOC(=O)/C=C/CN1CCSC1(C)C 34a_100011217261_100016267167 [0,1,0,1,0,0|2,0,0]=4 7068 B15R1.9904 CCOC(=O)/C=C/CN1COCC1(C)C 2230a_100000043020_100016267167 [0,1,0,1,0,0|2,0,0]=4 7069 B15R1.9904 CCOC(=O)/C=C/CN1COCC1(C)C 269982a_100000043020_100016267167 [0,1,0,1,0,0|2,0,0]=4 7070 B15R1.10426 CCOC(=O)/C=C/COCC1CC1(C)C 34a_100000728257_100016267167 [0,1,0,1,0,0|1,0,0]=3 7071 B15R1.10426 CCOC(=O)/C=C/COCC1CC1(C)C 7a_100000728257_100016267167 [0,1,0,1,0,0|1,0,0]=3 7072 B15R1.10426 CCOC(=O)/C=C/COCC1CC1(F)F 34a_100000056500_100016267167 [0,1,0,1,0,0|2,0,0]=4 7073 B15R1.10426 CCOC(=O)/C=C/COCC1CC1(F)F 7a_100000056500_100016267167 [0,1,0,1,0,0|2,0,0]=4 7074 B15R1.10426 CCOC(=O)/C=C/COCC1OC1(C)C 34a_200010283642_100016267167 [0,1,0,1,0,0|2,0,0]=4 7075 B15R1.10426 CCOC(=O)/C=C/COCC1OC1(C)C 7a_200010283642_100016267167 [0,1,0,1,0,0|2,0,0]=4 7076 B15R1.10426 CCOC(=O)/C=C/CSCC1CC1(F)F 62a_100009817841_100016267167 [0,1,0,1,0,0|2,0,0]=4 7077 B15R1.10426 CCOC(=O)/C=C/CSCC1CC1(F)F 62a_100016267167_100009817841 [0,1,0,1,0,0|2,0,0]=4 7078 B15R1.157 CCCCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000210211 [0,1,0,1,0,0|2,0,0]=4 7079 B15R1.157 CCCNC(=O)C=CCN1CCCCC1 11a_100020643023_100015232380 [0,1,0,1,0,0|2,0,0]=4 7080 B15R1.157 CCCNC(=O)C=CCN1CCCCC1 240690a_100020643023_100015232380 [0,1,0,1,0,0|2,0,0]=4 7081 B15R1.157 CCCOC(=O)CNCC1CCCCC1 2230a_100000210473_200011215008 [0,1,0,1,0,0|1,0,1]=4 7082 B15R1.157 CCCOC(=O)CNCC1CCCCC1 34a_100000210473_200011215008 [0,1,0,1,0,0|1,0,1]=4 7083 B15R1.157 CCCOC(=O)COCC1CCCCC1 34a_100000212181_200011215008 [0,1,0,1,0,0|1,0,1]=4 7084 B15R1.157 CCCOC(=O)COCC1CCCCC1 7a_100000212181_200011215008 [0,1,0,1,0,0|1,0,1]=4 7085 B15R1.157 CCCOC(=O)CSCC1CCCCC1 62a_100000211423_200011215008 [0,1,0,1,0,0|1,0,1]=4 7086 B15R1.157 CCCOC(=O)CSCC1CCCCC1 62a_200011215008_100000211423 [0,1,0,1,0,0|1,0,1]=4 7087 B15R1.157 CCNNC(=O)C=CCN1CCCCC1 22a_100000756455_100015232380 [0,1,0,1,0,0|2,0,0]=4 7088 B15R1.157 CCOCC(=O)CCCC1CCCCC1 1458a_100000211967_100011713725 [0,1,0,1,0,0|0,0,2]=4 7089 B15R1.157 CCOCC(=O)NCCC1CCCCC1 11a_100000738074_100000211967 [0,1,0,1,0,0|1,0,1]=4 7090 B15R1.157 CCOCC(=O)NCCC1CCCCC1 1626a_100000738074_100000211967 [0,1,0,1,0,0|1,0,1]=4 7091 B15R1.157 CCOCC(=O)NCCC1CCCCC1 240690a_100000738074_100000211967 [0,1,0,1,0,0|1,0,1]=4 7092 B15R1.157 CCOCC(=O)NCCC1CCCCC1 527a_100000738074_100000211967 [0,1,0,1,0,0|1,0,1]=4 7093 B15R1.157 CCOCC(=O)NNCC1CCCCC1 22a_100000740227_100000211967 [0,1,0,1,0,0|2,0,0]=4 7094 B15R1.157 COCCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000233755 [0,1,0,1,0,0|2,0,0]=4 7095 B15R1.157 CSCCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000751147 [0,1,0,1,0,0|2,0,0]=4 7096 B15R1.157 O=C(C=CCN1CCCCC1)CCCF 1458a_100015232380_100011934791 [0,1,0,1,0,0|2,0,0]=4 7097 B15R1.157 O=C(C=CCN1CCCCC1)CCCO 1458a_100015232380_100011215043 [0,1,0,1,0,0|2,0,0]=4 7098 B15R1.157 O=C(C=CCN1CCCCC1)NCCF 11a_100000724931_100015232380 [0,1,0,1,0,0|2,0,0]=4 7099 B15R1.157 O=C(C=CCN1CCCCC1)NCCF 240690a_100000724931_100015232380 [0,1,0,1,0,0|2,0,0]=4 7100 B15R1.157 O=C(C=CCN1CCCCC1)NCCO 240690a_100000210304_100015232380 [0,1,0,1,0,0|2,0,0]=4 7101 B15R1.1208 CCCOC(=O)CNC1CCCCC1C 2230a_100000211402_200011215008 [0,1,0,1,0,0|1,0,1]=4 7102 B15R1.1208 CCCOC(=O)CNC1CCCCC1C 34a_100000211402_200011215008 [0,1,0,1,0,0|1,0,1]=4 7103 B15R1.1208 CCCOC(=O)COC1CCCCC1C 34a_100000211207_200011215008 [0,1,0,1,0,0|1,0,1]=4 7104 B15R1.1208 CCCOC(=O)COC1CCCCC1C 7a_100000211207_200011215008 [0,1,0,1,0,0|1,0,1]=4 7105 B15R1.1240 CCCC1CCCCN1C(=O)COCC 11a_100000701414_100000211967 [0,1,0,1,0,0|1,0,1]=4 7106 B15R1.1240 CCCC1CCCCN1C(=O)COCC 1626a_100000701414_100000211967 [0,1,0,1,0,0|1,0,1]=4 7107 B15R1.1240 CCCC1CCCCN1C(=O)COCC 240690a_100000701414_100000211967 [0,1,0,1,0,0|1,0,1]=4 7108 B15R1.1240 CCCC1CCCCN1C(=O)COCC 527a_100000701414_100000211967 [0,1,0,1,0,0|1,0,1]=4 7109 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 11a_100000039187_100000211967 [0,1,0,1,0,0|1,0,1]=4 7110 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211967 [0,1,0,1,0,0|1,0,1]=4 7111 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211967 [0,1,0,1,0,0|1,0,1]=4 7112 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 527a_100000039187_100000211967 [0,1,0,1,0,0|1,0,1]=4 7113 B15R1.2207 CCCOC(=O)CNC1CCCCCC1 2230a_100000210984_200011215008 [0,1,0,1,0,0|1,0,1]=4 7114 B15R1.2207 CCCOC(=O)CNC1CCCCCC1 34a_100000210984_200011215008 [0,1,0,1,0,0|1,0,1]=4 7115 B15R1.2207 CCCOC(=O)COC1CCCCCC1 34a_100000210887_200011215008 [0,1,0,1,0,0|1,0,1]=4 7116 B15R1.2207 CCCOC(=O)COC1CCCCCC1 7a_100000210887_200011215008 [0,1,0,1,0,0|1,0,1]=4 7117 B15R1.2207 CCCOC(=O)CSC1CCCCCC1 62a_100011217769_200011215008 [0,1,0,1,0,0|1,0,1]=4 7118 B15R1.2207 CCCOC(=O)CSC1CCCCCC1 62a_200011215008_100011217769 [0,1,0,1,0,0|1,0,1]=4 7119 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 11a_100015204231_100000211967 [0,1,0,1,0,0|1,0,1]=4 7120 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211967 [0,1,0,1,0,0|1,0,1]=4 7121 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211967 [0,1,0,1,0,0|1,0,1]=4 7122 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 527a_100015204231_100000211967 [0,1,0,1,0,0|1,0,1]=4 7123 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 2230a_100000211400_200011215008 [0,1,0,1,0,0|1,0,1]=4 7124 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 269982a_100000211400_200011215008 [0,1,0,1,0,0|1,0,1]=4 7125 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 34a_100000211400_200011215008 [0,1,0,1,0,0|1,0,1]=4 7126 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 11a_100000211152_100000211967 [0,1,0,1,0,0|1,0,1]=4 7127 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211967 [0,1,0,1,0,0|1,0,1]=4 7128 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211967 [0,1,0,1,0,0|1,0,1]=4 7129 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 34a_100121572206_100000183010 [0,1,0,1,0,0|1,0,1]=4 7130 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 527a_100000211152_100000211967 [0,1,0,1,0,0|1,0,1]=4 7131 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 2230a_100000210034_200011215008 [0,1,0,1,0,0|1,0,1]=4 7132 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 269982a_100000210034_200011215008 [0,1,0,1,0,0|1,0,1]=4 7133 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 34a_100000210034_200011215008 [0,1,0,1,0,0|1,0,1]=4 7134 B15R1.794 CCOC(=O)/C=C/CN(C)C1CCCC1 2230a_100000207505_100016267167 [0,1,0,1,0,0|1,0,0]=3 7135 B15R1.794 CCOC(=O)/C=C/CN(C)C1CCCC1 269982a_100000207505_100016267167 [0,1,0,1,0,0|1,0,0]=3 7136 B15R1.794 CCOC(=O)/C=C/CN(C)C1CCCC1 34a_100000207505_100016267167 [0,1,0,1,0,0|1,0,0]=3 7137 B15R1.794 CCOC(=O)/C=C/CN(C)C1CCOC1 2230a_100016988252_100016267167 [0,1,0,1,0,0|2,0,0]=4 7138 B15R1.794 CCOC(=O)/C=C/CN(C)C1CCOC1 269982a_100016988252_100016267167 [0,1,0,1,0,0|2,0,0]=4 7139 B15R1.794 CCOC(=O)/C=C/CN(C)C1CCOC1 34a_100016988252_100016267167 [0,1,0,1,0,0|2,0,0]=4 7140 B15R1.10435 CCOC(=O)/C=C/CN(C)CC1CCC1 2230a_200000750244_100016267167 [0,1,0,1,0,0|1,0,0]=3 7141 B15R1.10435 CCOC(=O)/C=C/CN(C)CC1CCC1 269982a_200000750244_100016267167 [0,1,0,1,0,0|1,0,0]=3 7142 B15R1.10435 CCOC(=O)/C=C/CN(C)CC1CCC1 34a_200000750244_100016267167 [0,1,0,1,0,0|1,0,0]=3 7143 B15R1.36731 CCOC(=O)COC1C(CCCC1C)C 34a_100011218088_100000188475 [0,1,0,1,0,0|1,0,1]=4 7144 B15R1.36731 CCOC(=O)COC1C(CCCC1C)C 7a_100011218088_100000188475 [0,1,0,1,0,0|1,0,1]=4 7145 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)C 2230a_100000706052_100000188475 [0,1,0,1,0,0|1,0,1]=4 7146 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)C 34a_100000706052_100000188475 [0,1,0,1,0,0|1,0,1]=4 7147 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000188475 [0,1,0,1,0,0|1,0,1]=4 7148 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)O 34a_100000748649_100000188475 [0,1,0,1,0,0|1,0,1]=4 7149 B15R1.45797 CCOC(=O)COCC1(CCCCC1)C 34a_100000688186_100000188475 [0,1,0,1,0,0|1,0,1]=4 7150 B15R1.45797 CCOC(=O)COCC1(CCCCC1)C 7a_100000688186_100000188475 [0,1,0,1,0,0|1,0,1]=4 7151 B15R1.45797 CCOC(=O)COCC1(CCCCC1)F 34a_100000090305_100000188475 [0,1,0,1,0,0|1,0,1]=4 7152 B15R1.45797 CCOC(=O)COCC1(CCCCC1)F 7a_100000090305_100000188475 [0,1,0,1,0,0|1,0,1]=4 7153 B15R1.45797 CCOC(=O)COCC1(CCCCC1)N 34a_100000740034_100000188475 [0,1,0,1,0,0|1,0,1]=4 7154 B15R2.31 O=C1CN(CCO1)CC2CCCCC2 2230a_100000131268_100000211423 [0,0,0,2,0,0|1,0,1]=4 7155 B15R2.332 CC1CCCCC1N2CCOC(=O)C2 270004a_100000131268_100000210921 [0,0,0,2,0,0|1,0,1]=4 7156 B15R2.1117 O=C1CN(CCO1)CCC2CCCC2 2230a_100000131268_100000760354 [0,0,0,2,0,0|1,0,1]=4 7157 B15R2.2188 CCC1CCCC1N2CCOC(=O)C2 270004a_100000131268_100000749056 [0,0,0,2,0,0|1,0,1]=4 7158 B15R2.7124 O=C1CN(CCO1)C2CCCCCC2 270004a_100000131268_100000210131 [0,0,0,2,0,0|1,0,1]=4 7159 B15R2.404 O=C1OCCC1NCCC2CCCC2 2230a_100000739158_100000211211 [0,0,0,2,0,0|1,0,1]=4 7160 B15R2.404 O=C1OCCC1NCCC2CCCC2 34a_100000739158_100000211211 [0,0,0,2,0,0|1,0,1]=4 7161 B15R2.404 O=C1OCCC1OCCC2CCCC2 34a_100000749090_100000211211 [0,0,0,2,0,0|1,0,1]=4 7162 B15R2.404 O=C1OCCC1OCCC2CCCC2 7a_100000749090_100000211211 [0,0,0,2,0,0|1,0,1]=4 7163 B15R2.404 O=C1OCCC1SCCC2CCCC2 62a_100000211211_100000760354 [0,0,0,2,0,0|1,0,1]=4 7164 B15R2.404 O=C1OCCC1SCCC2CCCC2 62a_100000760354_100000211211 [0,0,0,2,0,0|1,0,1]=4 7165 B15R2.55 O=C1OCCC1NCC2CCCCC2 2230a_100000210473_100000211211 [0,0,0,2,0,0|1,0,1]=4 7166 B15R2.55 O=C1OCCC1NCC2CCCCC2 34a_100000210473_100000211211 [0,0,0,2,0,0|1,0,1]=4 7167 B15R2.55 O=C1OCCC1OCC2CCCCC2 34a_100000212181_100000211211 [0,0,0,2,0,0|1,0,1]=4 7168 B15R2.55 O=C1OCCC1OCC2CCCCC2 7a_100000212181_100000211211 [0,0,0,2,0,0|1,0,1]=4 7169 B15R2.55 O=C1OCCC1SCC2CCCCC2 62a_100000211211_100000211423 [0,0,0,2,0,0|1,0,1]=4 7170 B15R2.55 O=C1OCCC1SCC2CCCCC2 62a_100000211423_100000211211 [0,0,0,2,0,0|1,0,1]=4 7171 B15R2.359 CC1CCCCC1NC2CCOC2=O 2230a_100000211402_100000211211 [0,0,0,2,0,0|1,0,1]=4 7172 B15R2.359 CC1CCCCC1NC2CCOC2=O 34a_100000211402_100000211211 [0,0,0,2,0,0|1,0,1]=4 7173 B15R2.359 CC1CCCCC1OC2CCOC2=O 34a_100000211207_100000211211 [0,0,0,2,0,0|1,0,1]=4 7174 B15R2.359 CC1CCCCC1OC2CCOC2=O 7a_100000211207_100000211211 [0,0,0,2,0,0|1,0,1]=4 7175 B15R2.2302 CCC1CCCCN1C2CCOC2=O 2230a_100000210034_100000211211 [0,0,0,2,0,0|1,0,1]=4 7176 B15R2.2302 CCC1CCCCN1C2CCOC2=O 269982a_100000210034_100000211211 [0,0,0,2,0,0|1,0,1]=4 7177 B15R2.2302 CCC1CCCCN1C2CCOC2=O 34a_100000210034_100000211211 [0,0,0,2,0,0|1,0,1]=4 7178 B15R2.8453 O=C1OCCC1N2CCCCCCC2 2230a_100000211400_100000211211 [0,0,0,2,0,0|1,0,1]=4 7179 B15R2.8453 O=C1OCCC1N2CCCCCCC2 269982a_100000211400_100000211211 [0,0,0,2,0,0|1,0,1]=4 7180 B15R2.8453 O=C1OCCC1N2CCCCCCC2 34a_100000211400_100000211211 [0,0,0,2,0,0|1,0,1]=4 7181 B15R2.13884 O=C1OCCC1NC2CCCCCC2 2230a_100000210984_100000211211 [0,0,0,2,0,0|1,0,1]=4 7182 B15R2.13884 O=C1OCCC1NC2CCCCCC2 34a_100000210984_100000211211 [0,0,0,2,0,0|1,0,1]=4 7183 B15R2.13884 O=C1OCCC1OC2CCCCCC2 34a_100000210887_100000211211 [0,0,0,2,0,0|1,0,1]=4 7184 B15R2.13884 O=C1OCCC1OC2CCCCCC2 7a_100000210887_100000211211 [0,0,0,2,0,0|1,0,1]=4 7185 B15R2.13884 O=C1OCCC1SC2CCCCCC2 62a_100000211211_100011217769 [0,0,0,2,0,0|1,0,1]=4 7186 B15R2.13884 O=C1OCCC1SC2CCCCCC2 62a_100011217769_100000211211 [0,0,0,2,0,0|1,0,1]=4 7187 B15R2.17439 CCOC(=O)CN1CCCC1C2CC2 2230a_200000757794_100000188475 [0,0,0,2,0,0|1,0,1]=4 7188 B15R2.17439 CCOC(=O)CN1CCCC1C2CC2 269982a_200000757794_100000188475 [0,0,0,2,0,0|1,0,1]=4 7189 B15R2.17439 CCOC(=O)CN1CCCC1C2CC2 34a_200000757794_100000188475 [0,0,0,2,0,0|1,0,1]=4 7190 B15R2.3519 CCOC(=O)CSC1C2CCC1CC2 62a_100000188475_100009813300 [0,0,0,2,0,0|1,0,1]=4 7191 B15R2.3519 CCOC(=O)CSC1C2CCC1CC2 62a_100009813300_100000188475 [0,0,0,2,0,0|1,0,1]=4 7192 B15R2.3562 CCOC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000188475 [0,0,0,2,0,0|1,0,1]=4 7193 B15R2.3562 CCOC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000188475 [0,0,0,2,0,0|1,0,1]=4 7194 B15R2.3562 CCOC(=O)CN1CC2CCC1CC2 34a_100000750499_100000188475 [0,0,0,2,0,0|1,0,1]=4 7195 B15R2.17323 CCOC(=O)/C=C/CN1CC2CC2C1 2230a_100000741873_100016267167 [0,0,0,2,0,0|1,0,0]=3 7196 B15R2.17323 CCOC(=O)/C=C/CN1CC2CC2C1 269982a_100000741873_100016267167 [0,0,0,2,0,0|1,0,0]=3 7197 B15R2.17323 CCOC(=O)/C=C/CN1CC2CC2C1 34a_100000741873_100016267167 [0,0,0,2,0,0|1,0,0]=3 7198 B15R2.17289 CCOC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000188475 [0,0,0,2,0,0|1,0,1]=4 7199 B15R2.17289 CCOC(=O)CNC1CC2CCC1C2 34a_100000758229_100000188475 [0,0,0,2,0,0|1,0,1]=4 7200 B15R2.17289 CCOC(=O)COC1CC2CCC1C2 34a_100000211339_100000188475 [0,0,0,2,0,0|1,0,1]=4 7201 B15R2.17289 CCOC(=O)CSC1CC2CCC1C2 62a_100000188475_100000727232 [0,0,0,2,0,0|1,0,1]=4 7202 B15R2.17289 CCOC(=O)CSC1CC2CCC1C2 62a_100000727232_100000188475 [0,0,0,2,0,0|1,0,1]=4 7203 B15R2.2146 CCOC(=O)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000188475 [0,0,0,2,0,0|1,0,1]=4 7204 B15R2.2146 CCOC(=O)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000188475 [0,0,0,2,0,0|1,0,1]=4 7205 B15R2.2146 CCOC(=O)CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000188475 [0,0,0,2,0,0|1,0,1]=4