0 B14R0.391 C#CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100153394163 [0,0,0,0,0,0|2,0,2]=4 1 B14R0.391 C#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012094781 [0,0,0,0,0,0|1,0,2]=3 2 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,0,0,0,0,0|2,0,2]=4 3 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000225649_100011214924 [0,0,0,0,0,0|4,0,0]=4 4 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000232482_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000225649_100000210670 [0,0,0,0,0,0|4,0,0]=4 6 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000232482_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B14R0.391 C=C(F)CC(=O)CCCCCCCCC 1458a_100000210558_100009893438 [0,0,0,0,0,0|2,0,2]=4 8 B14R0.391 C=C(F)CN(C)CCCCCCCCC 2230a_100000232482_100009893438 [0,0,0,0,0,0|4,0,0]=4 9 B14R0.391 C=C(F)CN(C)CCCCCCCCC 269982a_100000232482_100009893438 [0,0,0,0,0,0|4,0,0]=4 10 B14R0.391 C=CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100012355270 [0,0,0,0,0,0|2,0,2]=4 11 B14R0.391 C=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000700193 [0,0,0,0,0,0|1,0,2]=3 12 B14R0.391 CCCCC#CCCCN(C)CC(=O)O 269956a_100000746989_200000047210 [0,0,0,0,0,0|2,0,2]=4 13 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,0,0,0,0,0|1,0,2]=3 14 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,0,0,0,0,0|1,0,2]=3 15 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,0,0,0,0,0|0,0,3]=3 16 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,0,0,0,0,0|1,0,3]=4 17 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,0,0,0,0,0|1,0,3]=4 18 B14R0.391 CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210558_100000761209 [0,0,0,0,0,0|1,0,3]=4 19 B14R0.391 CCCCCCCCCC(C)CN(C)C 270004a_100102631434_200011218516 [0,0,0,0,0,0|4,0,0]=4 20 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [0,0,0,0,0,0|3,0,0]=3 21 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [0,0,0,0,0,0|3,0,0]=3 22 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [0,0,0,0,0,0|3,0,0]=3 23 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,0,0,0,0,0|2,0,0]=2 24 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [0,0,0,0,0,0|2,0,1]=3 25 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011214924 [0,0,0,0,0,0|3,0,1]=4 26 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000232482_100011218427 [0,0,0,0,0,0|3,0,1]=4 27 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210670 [0,0,0,0,0,0|3,0,1]=4 28 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000232482_100011218427 [0,0,0,0,0,0|3,0,1]=4 29 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 2230a_100000232482_100009817552 [0,0,0,0,0,0|3,0,1]=4 30 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 269982a_100000232482_100009817552 [0,0,0,0,0,0|3,0,1]=4 31 B14R0.391 CCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000232482_100000761209 [0,0,0,0,0,0|3,0,1]=4 32 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 240690a_100000229939_100134613110 [0,0,0,0,0,0|2,0,2]=4 33 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 527a_100000229939_100134613110 [0,0,0,0,0,0|2,0,2]=4 34 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100000210759_100009818208 [0,0,0,0,0,0|4,0,0]=4 35 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210317 [0,0,0,0,0,0|4,0,0]=4 36 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,0,0,0,0,0|1,0,0]=1 37 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [0,0,0,0,0,0|2,0,0]=2 38 B14R0.391 CN(CCCCCCCCO)CC(=O)N 2230a_100000739694_100000033203 [0,0,0,0,0,0|4,0,0]=4 39 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [0,0,0,0,0,0|3,0,0]=3 40 B14R0.391 COCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000695917 [0,0,0,0,0,0|3,0,0]=3 41 B14R0.391 N#CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813376 [0,0,0,0,0,0|2,0,1]=3 42 B14R0.391 NC(=O)CC(=O)CCCCCCCCO 1458a_100134613110_100000033203 [0,0,0,0,0,0|2,0,2]=4 43 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [0,0,0,0,0,0|2,0,0]=2 44 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [0,0,0,0,0,0|2,0,0]=2 45 B14R0.391 O=CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139337 [0,0,0,0,0,0|2,0,1]=3 46 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [1,0,0,0,0,0|1,0,2]=4 47 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [1,0,0,0,0,0|1,0,2]=4 48 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [1,0,0,0,0,0|3,0,0]=4 49 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [1,0,0,0,0,0|3,0,0]=4 50 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [1,0,0,0,0,0|3,0,0]=4 51 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [1,0,0,0,0,0|3,0,0]=4 52 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [1,0,0,0,0,0|3,0,0]=4 53 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [1,0,0,0,0,0|3,0,0]=4 54 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [1,0,0,0,0,0|3,0,0]=4 55 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [1,0,0,0,0,0|3,0,0]=4 56 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [1,0,0,0,0,0|3,0,0]=4 57 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [1,0,0,0,0,0|0,0,3]=4 58 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [1,0,0,0,0,0|0,0,3]=4 59 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [1,0,0,0,0,0|3,0,0]=4 60 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [1,0,0,0,0,0|2,0,0]=3 61 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [1,0,0,0,0,0|2,0,0]=3 62 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [1,0,0,0,0,0|2,0,1]=4 63 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [1,0,0,0,0,0|2,0,1]=4 64 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [1,0,0,0,0,0|2,0,1]=4 65 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [1,0,0,0,0,0|2,0,1]=4 66 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [1,0,0,0,0,0|2,0,1]=4 67 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [1,0,0,0,0,0|2,0,1]=4 68 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [1,0,0,0,0,0|2,0,1]=4 69 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [1,0,0,0,0,0|2,0,1]=4 70 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [1,0,0,0,0,0|2,0,1]=4 71 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [1,0,0,0,0,0|2,0,1]=4 72 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [1,0,0,0,0,0|2,0,1]=4 73 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [1,0,0,0,0,0|2,0,1]=4 74 B13R0.2 CCCCCCCNCC(O)COC 2230a_100000756049_100000210681 [1,0,0,0,0,0|3,0,0]=4 75 B13R0.2 CCCCCCCNCC(O)COC 34a_100000756049_100000210614 [1,0,0,0,0,0|3,0,0]=4 76 B13R0.2 CCCCCCCNC[C@@H](O)CC#N 2230a_100000229938_100000001066 [1,0,0,0,0,0|2,0,1]=4 77 B13R0.2 CCCCCCCOCC(O)COC 34a_100000210272_100011215053 [1,0,0,0,0,0|3,0,0]=4 78 B13R0.2 CCCCCCCOCC(O)COC 7a_100000210272_100011215053 [1,0,0,0,0,0|3,0,0]=4 79 B13R0.2 CCCCCCCOC[C@@H](O)CC#N 7a_100000210272_100000001066 [1,0,0,0,0,0|2,0,1]=4 80 B13R0.2 CCCCCCCSCC(O)COC 62a_100000210614_100011215053 [1,0,0,0,0,0|3,0,0]=4 81 B13R0.2 CCCCCCCSCC(O)COC 62a_100011215053_100000210316 [1,0,0,0,0,0|3,0,0]=4 82 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210316 [1,0,0,0,0,0|2,0,1]=4 83 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000210614_100000001066 [1,0,0,0,0,0|2,0,1]=4 84 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [1,0,0,0,0,0|1,0,2]=4 85 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [1,0,0,0,0,0|3,0,0]=4 86 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 87 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 88 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 89 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [1,0,0,0,0,0|3,0,0]=4 90 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 91 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 92 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 93 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [1,0,0,0,0,0|3,0,0]=4 94 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 95 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 96 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 97 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 98 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [1,0,0,0,0,0|3,0,0]=4 99 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [1,0,0,0,0,0|3,0,0]=4 100 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [1,0,0,0,0,0|3,0,0]=4 101 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [1,0,0,0,0,0|3,0,0]=4 102 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [1,0,0,0,0,0|1,0,2]=4 103 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [1,0,0,0,0,0|1,0,2]=4 104 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [1,0,0,0,0,0|2,0,0]=3 105 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [1,0,0,0,0,0|3,0,0]=4 106 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [1,0,0,0,0,0|3,0,0]=4 107 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [1,0,0,0,0,0|3,0,0]=4 108 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [1,0,0,0,0,0|3,0,0]=4 109 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [1,0,0,0,0,0|3,0,0]=4 110 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [1,0,0,0,0,0|3,0,0]=4 111 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [1,0,0,0,0,0|3,0,0]=4 112 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [1,0,0,0,0,0|3,0,0]=4 113 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [1,0,0,0,0,0|3,0,0]=4 114 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [1,0,0,0,0,0|3,0,0]=4 115 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [1,0,0,0,0,0|3,0,0]=4 116 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [1,0,0,0,0,0|3,0,0]=4 117 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [1,0,0,0,0,0|3,0,0]=4 118 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [1,0,0,0,0,0|3,0,0]=4 119 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [1,0,0,0,0,0|3,0,0]=4 120 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [1,0,0,0,0,0|3,0,0]=4 121 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [1,0,0,0,0,0|3,0,0]=4 122 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [1,0,0,0,0,0|3,0,0]=4 123 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [1,0,0,0,0,0|3,0,0]=4 124 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [1,0,0,0,0,0|3,0,0]=4 125 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [1,0,0,0,0,0|3,0,0]=4 126 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [1,0,0,0,0,0|3,0,0]=4 127 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [1,0,0,0,0,0|3,0,0]=4 128 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [1,0,0,0,0,0|3,0,0]=4 129 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [1,0,0,0,0,0|3,0,0]=4 130 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [1,0,0,0,0,0|3,0,0]=4 131 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [1,0,0,0,0,0|3,0,0]=4 132 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [1,0,0,0,0,0|3,0,0]=4 133 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [1,0,0,0,0,0|3,0,0]=4 134 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [1,0,0,0,0,0|3,0,0]=4 135 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [1,0,0,0,0,0|3,0,0]=4 136 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [1,0,0,0,0,0|3,0,0]=4 137 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [1,0,0,0,0,0|3,0,0]=4 138 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [1,0,0,0,0,0|3,0,0]=4 139 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [1,0,0,0,0,0|3,0,0]=4 140 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [1,0,0,0,0,0|1,0,2]=4 141 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [1,0,0,0,0,0|1,0,2]=4 142 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [1,0,0,0,0,0|1,0,2]=4 143 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [1,0,0,0,0,0|1,0,0]=2 144 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [1,0,0,0,0,0|1,0,0]=2 145 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [1,0,0,0,0,0|1,0,0]=2 146 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 147 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 148 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 149 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 150 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 151 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [1,0,0,0,0,0|2,0,0]=3 152 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [1,0,0,0,0,0|2,0,0]=3 153 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [1,0,0,0,0,0|2,0,0]=3 154 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [1,0,0,0,0,0|2,0,0]=3 155 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [1,0,0,0,0,0|1,0,0]=2 156 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [1,0,0,0,0,0|1,0,1]=3 157 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 158 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 159 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 160 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 161 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 162 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 163 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [1,0,0,0,0,0|2,0,1]=4 164 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [1,0,0,0,0,0|2,0,0]=3 165 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 166 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 167 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [1,0,0,0,0,0|1,0,1]=3 168 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 169 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 170 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 171 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 172 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [1,0,0,0,0,0|2,0,1]=4 173 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [1,0,0,0,0,0|2,0,0]=3 174 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [1,0,0,0,0,0|1,0,1]=3 175 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [1,0,0,0,0,0|2,0,1]=4 176 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [1,0,0,0,0,0|2,0,1]=4 177 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [1,0,0,0,0,0|2,0,0]=3 178 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [1,0,0,0,0,0|2,0,0]=3 179 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 180 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [1,0,0,0,0,0|2,0,1]=4 181 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 182 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [1,0,0,0,0,0|3,0,0]=4 183 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [1,0,0,0,0,0|2,0,0]=3 184 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 185 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [1,0,0,0,0,0|2,0,0]=3 186 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 187 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [1,0,0,0,0,0|2,0,0]=3 188 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 189 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [1,0,0,0,0,0|2,0,0]=3 190 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 191 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 192 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 193 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [1,0,0,0,0,0|3,0,0]=4 194 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [1,0,0,0,0,0|2,0,0]=3 195 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [1,0,0,0,0,0|2,0,0]=3 196 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [1,0,0,0,0,0|2,0,0]=3 197 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [1,0,0,0,0,0|2,0,0]=3 198 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [1,0,0,0,0,0|2,0,1]=4 199 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [1,0,0,0,0,0|2,0,1]=4 200 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [1,0,0,0,0,0|3,0,0]=4 201 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [1,0,0,0,0,0|3,0,0]=4 202 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [1,0,0,0,0,0|2,0,0]=3 203 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [1,0,0,0,0,0|2,0,1]=4 204 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [1,0,0,0,0,0|3,0,0]=4 205 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [1,0,0,0,0,0|3,0,0]=4 206 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [1,0,0,0,0,0|3,0,0]=4 207 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [1,0,0,0,0,0|3,0,0]=4 208 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [1,0,0,0,0,0|3,0,0]=4 209 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [1,0,0,0,0,0|2,0,0]=3 210 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 211 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [1,0,0,0,0,0|2,0,0]=3 212 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 213 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 214 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 215 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 216 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 217 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [1,0,0,0,0,0|2,0,1]=4 218 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [1,0,0,0,0,0|3,0,0]=4 219 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [1,0,0,0,0,0|3,0,0]=4 220 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [1,0,0,0,0,0|3,0,0]=4 221 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [1,0,0,0,0,0|3,0,0]=4 222 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 223 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 224 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 225 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 226 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [1,0,0,0,0,0|3,0,0]=4 227 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [1,0,0,0,0,0|2,0,0]=3 228 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [1,0,0,0,0,0|2,0,0]=3 229 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [1,0,0,0,0,0|2,0,0]=3 230 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [1,0,0,0,0,0|2,0,0]=3 231 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [1,0,0,0,0,0|2,0,1]=4 232 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [1,0,0,0,0,0|2,0,1]=4 233 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [1,0,0,0,0,0|3,0,0]=4 234 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [1,0,0,0,0,0|3,0,0]=4 235 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [1,0,0,0,0,0|3,0,0]=4 236 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [1,0,0,0,0,0|3,0,0]=4 237 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [1,0,0,0,0,0|3,0,0]=4 238 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [1,0,0,0,0,0|3,0,0]=4 239 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [1,0,0,0,0,0|3,0,0]=4 240 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [1,0,0,0,0,0|3,0,0]=4 241 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [1,0,0,0,0,0|2,0,1]=4 242 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [1,0,0,0,0,0|2,0,0]=3 243 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [1,0,0,0,0,0|3,0,0]=4 244 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [1,0,0,0,0,0|3,0,0]=4 245 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [1,0,0,0,0,0|3,0,0]=4 246 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [1,0,0,0,0,0|2,0,0]=3 247 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 248 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 249 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [1,0,0,0,0,0|2,0,0]=3 250 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [1,0,0,0,0,0|2,0,0]=3 251 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 252 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 253 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 254 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 255 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [1,0,0,0,0,0|3,0,0]=4 256 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 257 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 258 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 259 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 260 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 261 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 262 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 263 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 264 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [1,0,0,0,0,0|2,0,1]=4 265 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [1,0,0,0,0,0|2,0,1]=4 266 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [1,0,0,0,0,0|2,0,1]=4 267 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [1,0,0,0,0,0|2,0,0]=3 268 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [1,0,0,0,0,0|2,0,0]=3 269 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [1,0,0,0,0,0|3,0,0]=4 270 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [1,0,0,0,0,0|3,0,0]=4 271 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [1,0,0,0,0,0|3,0,0]=4 272 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [1,0,0,0,0,0|3,0,0]=4 273 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [1,0,0,0,0,0|3,0,0]=4 274 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [1,0,0,0,0,0|3,0,0]=4 275 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [1,0,0,0,0,0|2,0,1]=4 276 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [1,0,0,0,0,0|2,0,0]=3 277 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [1,0,0,0,0,0|3,0,0]=4 278 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [1,0,0,0,0,0|3,0,0]=4 279 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [1,0,0,0,0,0|3,0,0]=4 280 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [1,0,0,0,0,0|3,0,0]=4 281 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 282 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 283 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [1,0,0,0,0,0|2,0,0]=3 284 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 285 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [1,0,0,0,0,0|2,0,0]=3 286 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 287 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [1,0,0,0,0,0|1,0,1]=3 288 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [1,0,0,0,0,0|3,0,0]=4 289 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 290 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [1,0,0,0,0,0|3,0,0]=4 291 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 292 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 293 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 294 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [1,0,0,0,0,0|3,0,0]=4 295 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [1,0,0,0,0,0|3,0,0]=4 296 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [1,0,0,0,0,0|3,0,0]=4 297 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [1,0,0,0,0,0|2,0,1]=4 298 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [1,0,0,0,0,0|2,0,1]=4 299 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [1,0,0,0,0,0|2,0,0]=3 300 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [1,0,0,0,0,0|2,0,0]=3 301 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [1,0,0,0,0,0|3,0,0]=4 302 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [1,0,0,0,0,0|3,0,0]=4 303 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [1,0,0,0,0,0|3,0,0]=4 304 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [1,0,0,0,0,0|3,0,0]=4 305 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [1,0,0,0,0,0|2,0,1]=4 306 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [1,0,0,0,0,0|2,0,1]=4 307 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [1,0,0,0,0,0|3,0,0]=4 308 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [1,0,0,0,0,0|3,0,0]=4 309 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [1,0,0,0,0,0|3,0,0]=4 310 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [1,0,0,0,0,0|3,0,0]=4 311 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [1,0,0,0,0,0|3,0,0]=4 312 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [1,0,0,0,0,0|2,0,1]=4 313 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 314 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 315 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 316 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 317 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 318 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 319 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [1,0,0,0,0,0|2,0,1]=4 320 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [1,0,0,0,0,0|3,0,0]=4 321 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [1,0,0,0,0,0|3,0,0]=4 322 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [1,0,0,0,0,0|3,0,0]=4 323 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [1,0,0,0,0,0|3,0,0]=4 324 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [1,0,0,0,0,0|3,0,0]=4 325 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [1,0,0,0,0,0|3,0,0]=4 326 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [1,0,0,0,0,0|3,0,0]=4 327 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 328 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [1,0,0,0,0,0|3,0,0]=4 329 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 330 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 331 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 332 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [1,0,0,0,0,0|3,0,0]=4 333 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [1,0,0,0,0,0|3,0,0]=4 334 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [1,0,0,0,0,0|3,0,0]=4 335 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [1,0,0,0,0,0|3,0,0]=4 336 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [1,0,0,0,0,0|3,0,0]=4 337 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [1,0,0,0,0,0|3,0,0]=4 338 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [1,0,0,0,0,0|3,0,0]=4 339 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [1,0,0,0,0,0|3,0,0]=4 340 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [1,0,0,0,0,0|3,0,0]=4 341 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [1,0,0,0,0,0|2,0,1]=4 342 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [1,0,0,0,0,0|2,0,1]=4 343 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [1,0,0,0,0,0|3,0,0]=4 344 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [1,0,0,0,0,0|3,0,0]=4 345 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [1,0,0,0,0,0|3,0,0]=4 346 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [1,0,0,0,0,0|3,0,0]=4 347 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 348 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 349 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 350 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 351 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [1,0,0,0,0,0|3,0,0]=4 352 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [1,0,0,0,0,0|3,0,0]=4 353 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [1,0,0,0,0,0|3,0,0]=4 354 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [1,0,0,0,0,0|3,0,0]=4 355 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [1,0,0,0,0,0|3,0,0]=4 356 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [1,0,0,0,0,0|3,0,0]=4 357 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [1,0,0,0,0,0|3,0,0]=4 358 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [1,0,0,0,0,0|3,0,0]=4 359 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 360 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 361 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [1,0,0,0,0,0|3,0,0]=4 362 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [1,0,0,0,0,0|3,0,0]=4 363 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [1,0,0,0,0,0|3,0,0]=4 364 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [1,0,0,0,0,0|3,0,0]=4 365 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [1,0,0,0,0,0|3,0,0]=4 366 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [1,0,0,0,0,0|3,0,0]=4 367 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [1,0,0,0,0,0|3,0,0]=4 368 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [1,0,0,0,0,0|3,0,0]=4 369 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [1,0,0,0,0,0|3,0,0]=4 370 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 371 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 372 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [1,0,0,0,0,0|3,0,0]=4 373 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [1,0,0,0,0,0|3,0,0]=4 374 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 375 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 376 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [1,0,0,0,0,0|3,0,0]=4 377 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 378 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [1,0,0,0,0,0|3,0,0]=4 379 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 380 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [1,0,0,0,0,0|2,0,1]=4 381 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [1,0,0,0,0,0|3,0,0]=4 382 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [1,0,0,0,0,0|3,0,0]=4 383 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [1,0,0,0,0,0|3,0,0]=4 384 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [1,0,0,0,0,0|3,0,0]=4 385 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [1,0,0,0,0,0|3,0,0]=4 386 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 387 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 388 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 389 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 390 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [1,0,0,0,0,0|2,0,1]=4 391 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [1,0,0,0,0,0|3,0,0]=4 392 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [1,0,0,0,0,0|3,0,0]=4 393 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [1,0,0,0,0,0|3,0,0]=4 394 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [1,0,0,0,0,0|3,0,0]=4 395 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [1,0,0,0,0,0|3,0,0]=4 396 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [1,0,0,0,0,0|3,0,0]=4 397 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 398 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 399 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [1,0,0,0,0,0|3,0,0]=4 400 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 401 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [1,0,0,0,0,0|3,0,0]=4 402 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 403 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [1,0,0,0,0,0|3,0,0]=4 404 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [1,0,0,0,0,0|3,0,0]=4 405 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [1,0,0,0,0,0|3,0,0]=4 406 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [1,0,0,0,0,0|3,0,0]=4 407 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [1,0,0,0,0,0|3,0,0]=4 408 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [1,0,0,0,0,0|3,0,0]=4 409 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [1,0,0,0,0,0|3,0,0]=4 410 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [1,0,0,0,0,0|3,0,0]=4 411 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [1,0,0,0,0,0|3,0,0]=4 412 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [1,0,0,0,0,0|3,0,0]=4 413 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [1,0,0,0,0,0|3,0,0]=4 414 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [1,0,0,0,0,0|3,0,0]=4 415 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [1,0,0,0,0,0|3,0,0]=4 416 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [1,0,0,0,0,0|3,0,0]=4 417 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [1,0,0,0,0,0|3,0,0]=4 418 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 419 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [1,0,0,0,0,0|3,0,0]=4 420 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 421 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [1,0,0,0,0,0|2,0,1]=4 422 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [1,0,0,0,0,0|3,0,0]=4 423 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [1,0,0,0,0,0|3,0,0]=4 424 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [1,0,0,0,0,0|3,0,0]=4 425 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [1,0,0,0,0,0|3,0,0]=4 426 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [1,0,0,0,0,0|3,0,0]=4 427 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 428 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 429 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 430 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 431 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [1,0,0,0,0,0|3,0,0]=4 432 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 433 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 434 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [1,0,0,0,0,0|3,0,0]=4 435 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [1,0,0,0,0,0|3,0,0]=4 436 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [1,0,0,0,0,0|3,0,0]=4 437 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [1,0,0,0,0,0|3,0,0]=4 438 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [1,0,0,0,0,0|3,0,0]=4 439 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [1,0,0,0,0,0|3,0,0]=4 440 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [1,0,0,0,0,0|3,0,0]=4 441 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [1,0,0,0,0,0|3,0,0]=4 442 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [1,0,0,0,0,0|3,0,0]=4 443 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 444 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [1,0,0,0,0,0|3,0,0]=4 445 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [1,0,0,0,0,0|3,0,0]=4 446 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [1,0,0,0,0,0|3,0,0]=4 447 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [1,0,0,0,0,0|3,0,0]=4 448 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [1,0,0,0,0,0|3,0,0]=4 449 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [1,0,0,0,0,0|3,0,0]=4 450 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [1,0,0,0,0,0|3,0,0]=4 451 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [1,0,0,0,0,0|3,0,0]=4 452 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [1,0,0,0,0,0|3,0,0]=4 453 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [1,0,0,0,0,0|3,0,0]=4 454 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [1,0,0,0,0,0|3,0,0]=4 455 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [1,0,0,0,0,0|3,0,0]=4 456 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 457 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 458 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [1,0,0,0,0,0|3,0,0]=4 459 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [1,0,0,0,0,0|3,0,0]=4 460 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [1,0,0,0,0,0|3,0,0]=4 461 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [1,0,0,0,0,0|3,0,0]=4 462 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 463 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [1,0,0,0,0,0|3,0,0]=4 464 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [1,0,0,0,0,0|3,0,0]=4 465 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [1,0,0,0,0,0|3,0,0]=4 466 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [1,0,0,0,0,0|3,0,0]=4 467 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [1,0,0,0,0,0|3,0,0]=4 468 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [1,0,0,0,0,0|3,0,0]=4 469 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [1,0,0,0,0,0|3,0,0]=4 470 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [1,0,0,0,0,0|3,0,0]=4 471 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [1,0,0,0,0,0|3,0,0]=4 472 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [1,0,0,0,0,0|3,0,0]=4 473 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [1,0,0,0,0,0|3,0,0]=4 474 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [1,0,0,0,0,0|3,0,0]=4 475 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [1,0,0,0,0,0|3,0,0]=4 476 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [1,0,0,0,0,0|3,0,0]=4 477 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [1,0,0,0,0,0|3,0,0]=4 478 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [1,0,0,0,0,0|3,0,0]=4 479 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [1,0,0,0,0,0|3,0,0]=4 480 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [1,0,0,0,0,0|3,0,0]=4 481 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [1,0,0,0,0,0|3,0,0]=4 482 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [1,0,0,0,0,0|2,0,1]=4 483 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [1,0,0,0,0,0|3,0,0]=4 484 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [1,0,0,0,0,0|3,0,0]=4 485 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 486 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [1,0,0,0,0,0|2,0,0]=3 487 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [1,0,0,0,0,0|3,0,0]=4 488 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [1,0,0,0,0,0|3,0,0]=4 489 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [1,0,0,0,0,0|3,0,0]=4 490 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [1,0,0,0,0,0|2,0,1]=4 491 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [1,0,0,0,0,0|2,0,1]=4 492 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [1,0,0,0,0,0|2,0,1]=4 493 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [1,0,0,0,0,0|2,0,1]=4 494 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [1,0,0,0,0,0|2,0,1]=4 495 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [1,0,0,0,0,0|2,0,1]=4 496 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [1,0,0,0,0,0|2,0,1]=4 497 B13R0.335 C#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100010269958 [1,0,0,0,0,0|1,0,2]=4 498 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [1,0,0,0,0,0|1,0,2]=4 499 B13R0.335 CC/C=C\CCNCC(O)CC(=O)O 269956a_100011218706_100015370543 [1,0,0,0,0,0|1,0,2]=4 500 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [1,0,0,0,0,0|1,0,2]=4 501 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [1,0,0,0,0,0|1,0,2]=4 502 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [1,0,0,0,0,0|0,0,3]=4 503 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [1,0,0,0,0,0|3,0,0]=4 504 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [1,0,0,0,0,0|3,0,0]=4 505 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [1,0,0,0,0,0|3,0,0]=4 506 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [1,0,0,0,0,0|2,0,0]=3 507 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [1,0,0,0,0,0|2,0,1]=4 508 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [1,0,0,0,0,0|1,0,0]=2 509 B13R0.335 CCCCOCNCC(O)CC(=O)O 269956a_100011218706_100011995733 [1,0,0,0,0,0|2,0,0]=3 510 B13R0.335 CCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011215938 [1,0,0,0,0,0|2,0,0]=3 511 B13R0.335 CCOCCCNCC(O)CC(=O)O 269956a_100011218706_100012232248 [1,0,0,0,0,0|2,0,0]=3 512 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [1,0,0,0,0,0|3,0,0]=4 513 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [1,0,0,0,0,0|3,0,0]=4 514 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [1,0,0,0,0,0|2,0,0]=3 515 B13R0.335 COCCOCNCC(O)CC(=O)O 269956a_100011218706_100000231047 [1,0,0,0,0,0|3,0,0]=4 516 B13R0.335 N#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011219923 [1,0,0,0,0,0|2,0,1]=4 517 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [1,0,0,0,0,0|2,0,0]=3 518 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [1,0,0,0,0,0|2,0,0]=3 519 B13R0.335 O=C(O)CC(O)CNCCOCCO 269956a_100011218706_100011215305 [1,0,0,0,0,0|3,0,0]=4 520 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [1,0,0,0,0,0|2,0,1]=4 521 B15R0.67 CCCCCCCC(O)CC(=O)CC(=O)N 1458a_200011667753_100000187820 [0,1,0,0,0,0|1,0,2]=4 522 B15R0.67 CCCCCCCC(O)CC(=O)CC(=O)[O-] 1458a_200011667753_100020667443 [0,1,0,0,0,0|0,0,3]=4 523 B15R0.69 C#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012276617 [0,1,0,0,0,0|0,0,2]=3 524 B15R0.69 C=CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011933949 [0,1,0,0,0,0|2,0,1]=4 525 B15R0.69 C=CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215473 [0,1,0,0,0,0|0,0,2]=3 526 B15R0.69 CCC#CCCCCCCN(C)CC(=O)O 269956a_100000746989_200000036426 [0,1,0,0,0,0|2,0,1]=4 527 B15R0.69 CCCCCC#CCNCC(O)CC(=O)O 269956a_100011218706_100009816472 [0,1,0,0,0,0|0,0,2]=3 528 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,1,0,0,0,0|1,0,2]=4 529 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,1,0,0,0,0|1,0,2]=4 530 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,1,0,0,0,0|0,0,3]=4 531 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,1,0,0,0,0|3,0,0]=4 532 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,1,0,0,0,0|3,0,0]=4 533 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,1,0,0,0,0|3,0,0]=4 534 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,1,0,0,0,0|2,0,0]=3 535 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,1,0,0,0,0|2,0,1]=4 536 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 240690a_100000212291_100134613110 [0,1,0,0,0,0|1,0,2]=4 537 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 527a_100000212291_100134613110 [0,1,0,0,0,0|1,0,2]=4 538 B15R0.69 CCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210670 [0,1,0,0,0,0|3,0,0]=4 539 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,1,0,0,0,0|0,0,0]=1 540 B15R0.69 CCCCCCCCOCC(=O)CC(=O)N 1458a_100000759886_100000187820 [0,1,0,0,0,0|1,0,2]=4 541 B15R0.69 CCCCCCCCOCC(=O)CC(=O)[O-] 1458a_100000759886_100020667443 [0,1,0,0,0,0|0,0,3]=4 542 B15R0.69 CCOCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011211534 [0,1,0,0,0,0|2,0,0]=3 543 B15R0.69 CN(CCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813782 [0,1,0,0,0,0|3,0,0]=4 544 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [0,1,0,0,0,0|2,0,0]=3 545 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [0,1,0,0,0,0|1,0,0]=2 546 B15R0.69 COCCOCCCNCC(O)CC(=O)O 269956a_100011218706_100011216529 [0,1,0,0,0,0|2,0,0]=3 547 B15R0.69 N#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813337 [0,1,0,0,0,0|1,0,1]=3 548 B15R0.69 NC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000187820 [0,1,0,0,0,0|1,0,2]=4 549 B15R0.69 NC(=O)CC(=O)CCCCCCCCCO 1458a_100134613110_100009813782 [0,1,0,0,0,0|1,0,2]=4 550 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [0,1,0,0,0,0|1,0,0]=2 551 B15R0.69 O=C([O-])CC(=O)CCCCCCCCCF 1458a_200009909015_100020667443 [0,1,0,0,0,0|0,0,3]=4 552 B15R0.115 CCOC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100009991533 [0,1,0,0,0,0|2,0,1]=4 553 B15R0.187 CCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_100011215978 [0,1,0,0,0,0|1,0,0]=2 554 B15R0.226 CC(=O)OCCCCNCC(O)CC(=O)O 269956a_100011218706_100000033659 [0,1,0,0,0,0|2,0,1]=4 555 B15R0.226 CC(=O)SCCCCNCC(O)CC(=O)O 269956a_100011218706_200010402107 [0,1,0,0,0,0|2,0,1]=4 556 B15R0.226 CC(C)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210682 [0,1,0,0,0,0|1,0,0]=2 557 B15R0.226 NC(=O)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100009817443 [0,1,0,0,0,0|2,0,1]=4 558 B15R0.251 COC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000204269 [0,1,0,0,0,0|2,0,1]=4 559 B15R0.321 CC(C(=O)O)N(C)CCCCCCCCO 269956a_100000749554_100000033203 [0,1,0,0,0,0|3,0,0]=4 560 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210558_100000179758 [0,1,0,0,0,0|1,0,2]=4 561 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210558_100000702099 [0,1,0,0,0,0|1,0,2]=4 562 B15R0.321 CCCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210558_100009813875 [0,1,0,0,0,0|1,0,2]=4 563 B15R0.321 CCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210558_100020610796 [0,1,0,0,0,0|0,0,3]=4 564 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 2230a_100000232482_100009814033 [0,1,0,0,0,0|3,0,0]=4 565 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 269982a_100000232482_100009814033 [0,1,0,0,0,0|3,0,0]=4 566 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)N 2230a_100000232482_100000702099 [0,1,0,0,0,0|3,0,0]=4 567 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)N 269982a_100000232482_100000184083 [0,1,0,0,0,0|3,0,0]=4 568 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210670 [0,1,0,0,0,0|2,0,0]=3 569 B15R0.321 CCCCCCCCCN(C)C(F)C(=O)N 2230a_100000232482_100009813875 [0,1,0,0,0,0|3,0,0]=4 570 B15R0.321 CCCCCCCCCN(C)C(F)C(=O)N 269982a_100000232482_100009813875 [0,1,0,0,0,0|3,0,0]=4 571 B15R0.321 CCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210759 [0,1,0,0,0,0|3,0,0]=4 572 B15R0.372 CCCCCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_200012276598 [0,1,0,0,0,0|1,0,1]=3 573 B15R0.372 CCCCNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000182744 [0,1,0,0,0,0|2,0,1]=4 574 B15R0.372 CCCCOC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000211628 [0,1,0,0,0,0|2,0,1]=4 575 B15R0.1998 C#CCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100012276617 [0,1,0,0,0,0|1,0,2]=4 576 B15R0.1998 C=CCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215473 [0,1,0,0,0,0|1,0,2]=4 577 B15R0.1998 CCCCCC#CCN[C@H](CO)CC(=O)O 269956a_100009816507_100009816472 [0,1,0,0,0,0|1,0,2]=4 578 B15R0.1998 CCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210670 [0,1,0,0,0,0|2,0,0]=3 579 B15R0.1998 CCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210670 [0,1,0,0,0,0|1,0,1]=3 580 B15R0.1998 CCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210759 [0,1,0,0,0,0|2,0,0]=3 581 B15R0.1998 CCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210759 [0,1,0,0,0,0|1,0,0]=2 582 B15R0.1998 CCN(CCCCCCCCO)CC(=O)O 269956a_100000746405_100000033203 [0,1,0,0,0,0|3,0,0]=4 583 B15R0.1998 CCOCCOCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011211534 [0,1,0,0,0,0|3,0,0]=4 584 B15R0.1998 CC[C@H](CC(=O)O)NCCCCCCCO 269956a_100016995926_100000760002 [0,1,0,0,0,0|3,0,0]=4 585 B15R0.1998 CC[C@H](CC(=O)O)NCCCCCCOC 269956a_100016995926_100011998445 [0,1,0,0,0,0|3,0,0]=4 586 B15R0.1998 COCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011998445 [0,1,0,0,0,0|2,0,0]=3 587 B15R0.1998 COCCOCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011216529 [0,1,0,0,0,0|3,0,0]=4 588 B15R0.1998 N#CCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100009813337 [0,1,0,0,0,0|2,0,1]=4 589 B15R0.1998 O=C(O)C[C@@H](CO)NCCCCCCCO 269956a_100009816507_100000760002 [0,1,0,0,0,0|2,0,0]=3 590 B15R0.1998 O=C([O-])CN(CO)CCCCCCCCO 269956a_100016989150_100000033203 [0,1,0,0,0,0|2,0,1]=4 591 B15R0.3221 C#CCCCCCOC[C@H](O)CC(=O)OC 34a_100000766912_100000754131 [0,1,0,0,0,0|1,0,2]=4 592 B15R0.3221 C#CCCCCCOC[C@H](O)CC(=O)OC 7a_100000766912_100000754131 [0,1,0,0,0,0|1,0,2]=4 593 B15R0.3221 C#CCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100012094781 [0,1,0,0,0,0|1,0,2]=4 594 B15R0.3221 C#CCCCCCSC[C@H](O)CC(=O)OC 62a_100012094781_100000754131 [0,1,0,0,0,0|1,0,2]=4 595 B15R0.3221 C=CCCCCCOC[C@H](O)CC(=O)OC 34a_100011216702_100000754131 [0,1,0,0,0,0|1,0,2]=4 596 B15R0.3221 C=CCCCCCOC[C@H](O)CC(=O)OC 7a_100011216702_100000754131 [0,1,0,0,0,0|1,0,2]=4 597 B15R0.3221 C=CCCCCCSC[C@H](O)CC(=O)OC 62a_100000700193_100000754131 [0,1,0,0,0,0|1,0,2]=4 598 B15R0.3221 C=CCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000700193 [0,1,0,0,0,0|1,0,2]=4 599 B15R0.3221 CC/C=C/CCCOC[C@H](O)CC(=O)OC 34a_100016287902_100000754131 [0,1,0,0,0,0|1,0,2]=4 600 B15R0.3221 CC/C=C/CCCOC[C@H](O)CC(=O)OC 7a_100016287902_100000754131 [0,1,0,0,0,0|1,0,2]=4 601 B15R0.3221 CCCC#CCCOC[C@H](O)CC(=O)OC 34a_100000042726_100000754131 [0,1,0,0,0,0|1,0,2]=4 602 B15R0.3221 CCCC#CCCOC[C@H](O)CC(=O)OC 7a_100000042726_100000754131 [0,1,0,0,0,0|1,0,2]=4 603 B15R0.3221 CCCC/C=C/COC[C@H](O)CC(=O)OC 34a_200016272032_100000754131 [0,1,0,0,0,0|1,0,2]=4 604 B15R0.3221 CCCC/C=C/COC[C@H](O)CC(=O)OC 7a_200016272032_100000754131 [0,1,0,0,0,0|1,0,2]=4 605 B15R0.3221 CCCCC#CCOC[C@H](O)CC(=O)OC 34a_200000034558_100000754131 [0,1,0,0,0,0|1,0,2]=4 606 B15R0.3221 CCCCC#CCOC[C@H](O)CC(=O)OC 7a_200000034558_100000754131 [0,1,0,0,0,0|1,0,2]=4 607 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [0,1,0,0,0,0|1,0,2]=4 608 B15R0.3221 CCCCCCCCCC(=O)CC(=O)NC 1458a_100000210558_100000183359 [0,1,0,0,0,0|1,0,2]=4 609 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [0,1,0,0,0,0|0,0,2]=3 610 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [0,1,0,0,0,0|0,0,2]=3 611 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_200012339438 [0,1,0,0,0,0|1,0,0]=2 612 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_200012339438 [0,1,0,0,0,0|1,0,0]=2 613 B15R0.3221 CCCCCCCCCN(C)CC(=O)CC 269982a_100000232482_100000747405 [0,1,0,0,0,0|3,0,0]=4 614 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011214924 [0,1,0,0,0,0|3,0,0]=4 615 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000232482_100000183359 [0,1,0,0,0,0|3,0,0]=4 616 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 269982a_100000232482_100000183359 [0,1,0,0,0,0|3,0,0]=4 617 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011214924 [0,1,0,0,0,0|2,0,0]=3 618 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000232482_100000747449 [0,1,0,0,0,0|2,0,0]=3 619 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 269982a_100000232482_100000747449 [0,1,0,0,0,0|2,0,0]=3 620 B15R0.3221 CCCCCCCCNC(=O)CC(=O)OC 240690a_100000229939_100000211351 [0,1,0,0,0,0|1,0,2]=4 621 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 2230a_100000229939_100009817358 [0,1,0,0,0,0|2,0,0]=3 622 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 34a_100000229939_100009817358 [0,1,0,0,0,0|2,0,0]=3 623 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 34a_100000210232_100009817358 [0,1,0,0,0,0|2,0,0]=3 624 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 7a_100000210232_100009817358 [0,1,0,0,0,0|2,0,0]=3 625 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100000210759_100009817358 [0,1,0,0,0,0|2,0,0]=3 626 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210317 [0,1,0,0,0,0|2,0,0]=3 627 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210272_100000754131 [0,1,0,0,0,0|1,0,0]=2 628 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210272_100000754131 [0,1,0,0,0,0|1,0,0]=2 629 B15R0.3221 CCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210316 [0,1,0,0,0,0|1,0,2]=4 630 B15R0.3221 CCCCCCCSCC(=O)CC(=O)OC 62a_100000210614_100000210525 [0,1,0,0,0,0|1,0,2]=4 631 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210614_100000754131 [0,1,0,0,0,0|1,0,0]=2 632 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210316 [0,1,0,0,0,0|1,0,0]=2 633 B15R0.3221 CCCCCNCCOC(C)CC(=O)OC 34a_100000224656_100009817358 [0,1,0,0,0,0|3,0,0]=4 634 B15R0.3221 CCCCCOCCOC(C)CC(=O)OC 34a_100011215259_100009817358 [0,1,0,0,0,0|3,0,0]=4 635 B15R0.3221 CCCCCOCCOC(C)CC(=O)OC 7a_100011215259_100009817358 [0,1,0,0,0,0|3,0,0]=4 636 B15R0.3221 CCCCOCCCNC(C)CC(=O)OC 2230a_200000211371_100009817358 [0,1,0,0,0,0|3,0,0]=4 637 B15R0.3221 CCCCOCCCNC(C)CC(=O)OC 34a_200000211371_100009817358 [0,1,0,0,0,0|3,0,0]=4 638 B15R0.3221 CCCCOCCCOC(C)CC(=O)OC 34a_200011215613_100009817358 [0,1,0,0,0,0|3,0,0]=4 639 B15R0.3221 CCCCOCCCOC(C)CC(=O)OC 7a_200011215613_100009817358 [0,1,0,0,0,0|3,0,0]=4 640 B15R0.3221 CCCCOCCOC[C@H](O)CC(=O)OC 34a_100000210238_100000754131 [0,1,0,0,0,0|2,0,0]=3 641 B15R0.3221 CCCCOCCOC[C@H](O)CC(=O)OC 7a_100000210238_100000754131 [0,1,0,0,0,0|2,0,0]=3 642 B15R0.3221 CCCCOCCSC[C@H](O)CC(=O)OC 62a_100000743108_100000754131 [0,1,0,0,0,0|2,0,0]=3 643 B15R0.3221 CCCCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000743108 [0,1,0,0,0,0|2,0,0]=3 644 B15R0.3221 CCCCSCCOC[C@H](O)CC(=O)OC 34a_200000230436_100000754131 [0,1,0,0,0,0|2,0,0]=3 645 B15R0.3221 CCCCSCCOC[C@H](O)CC(=O)OC 7a_200000230436_100000754131 [0,1,0,0,0,0|2,0,0]=3 646 B15R0.3221 CCCOCCCNC[C@H](O)CC(=O)OC 34a_100011217757_100000754131 [0,1,0,0,0,0|2,0,0]=3 647 B15R0.3221 CNCCCCCOC[C@H](O)CC(=O)OC 34a_100000722520_100000754131 [0,1,0,0,0,0|2,0,0]=3 648 B15R0.3221 CNCCOCCOC[C@H](O)CC(=O)OC 34a_100000228057_100000754131 [0,1,0,0,0,0|3,0,0]=4 649 B15R0.3221 COC(=O)CC(=O)CCCCCCCCO 1458a_100000211351_100000033203 [0,1,0,0,0,0|1,0,2]=4 650 B15R0.3221 COC(=O)CC(C)NCCCCCCCO 2230a_100011996573_100009817358 [0,1,0,0,0,0|3,0,0]=4 651 B15R0.3221 COC(=O)CC(C)NCCCCCCCO 34a_100011996573_100009817358 [0,1,0,0,0,0|3,0,0]=4 652 B15R0.3221 COC(=O)CC(C)OCCCCCCCBr 34a_100000760002_100009817358 [0,1,0,0,0,0|3,0,0]=4 653 B15R0.3221 COC(=O)CC(C)OCCCCCCCBr 7a_100000760002_100009817358 [0,1,0,0,0,0|3,0,0]=4 654 B15R0.3221 COC(=O)CC(C)OCCCCCCCN 34a_100011996573_100009817358 [0,1,0,0,0,0|3,0,0]=4 655 B15R0.3221 COC(=O)CC(C)SCCCCCCCO 62a_100000760002_100009817358 [0,1,0,0,0,0|3,0,0]=4 656 B15R0.3221 COC(=O)CC(C)SCCCCCCCO 62a_100009817358_100000760002 [0,1,0,0,0,0|3,0,0]=4 657 B15R0.3221 COC(=O)CN(C)CCCCCCCCO 2230a_100000198492_100000033203 [0,1,0,0,0,0|3,0,0]=4 658 B15R0.3221 COC(=O)C[C@@H](O)CNCCCCCCO 34a_100000686447_100000754131 [0,1,0,0,0,0|2,0,0]=3 659 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCBr 34a_100011215345_100000754131 [0,1,0,0,0,0|2,0,0]=3 660 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCBr 7a_100011215345_100000754131 [0,1,0,0,0,0|2,0,0]=3 661 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCCl 34a_100000766143_100000754131 [0,1,0,0,0,0|2,0,0]=3 662 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCCl 7a_100000766143_100000754131 [0,1,0,0,0,0|2,0,0]=3 663 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCF 34a_100000732779_100000754131 [0,1,0,0,0,0|2,0,0]=3 664 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCF 7a_100000732779_100000754131 [0,1,0,0,0,0|2,0,0]=3 665 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCN 34a_100000686447_100000754131 [0,1,0,0,0,0|2,0,0]=3 666 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC#N 62a_100000754131_100009813376 [0,1,0,0,0,0|2,0,1]=4 667 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC#N 62a_100009813376_100000754131 [0,1,0,0,0,0|2,0,1]=4 668 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC=O 62a_100000139337_100000754131 [0,1,0,0,0,0|2,0,1]=4 669 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC=O 62a_100000754131_100000139337 [0,1,0,0,0,0|2,0,1]=4 670 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCF 62a_100000754131_100015922095 [0,1,0,0,0,0|2,0,0]=3 671 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCF 62a_100015922095_100000754131 [0,1,0,0,0,0|2,0,0]=3 672 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCO 62a_100000754131_100000766143 [0,1,0,0,0,0|2,0,0]=3 673 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCO 62a_100000766143_100000754131 [0,1,0,0,0,0|2,0,0]=3 674 B15R0.3221 COCCCCCCOC(C)CC(=O)OC 34a_200012092642_100009817358 [0,1,0,0,0,0|3,0,0]=4 675 B15R0.3221 COCCCCCCOC(C)CC(=O)OC 7a_200012092642_100009817358 [0,1,0,0,0,0|3,0,0]=4 676 B15R0.3221 COCCCCCCSC(C)CC(=O)OC 62a_100009817358_100011998445 [0,1,0,0,0,0|3,0,0]=4 677 B15R0.3221 COCCCCCCSC(C)CC(=O)OC 62a_100011998445_100009817358 [0,1,0,0,0,0|3,0,0]=4 678 B15R0.3221 COCCCCCNC[C@H](O)CC(=O)OC 34a_100000747528_100000754131 [0,1,0,0,0,0|2,0,0]=3 679 B15R0.3221 COCCOCCNC[C@H](O)CC(=O)OC 34a_100000745349_100000754131 [0,1,0,0,0,0|3,0,0]=4 680 B15R0.3221 COCCOCCOC[C@H](O)CC(=O)OC 34a_100011215163_100000754131 [0,1,0,0,0,0|3,0,0]=4 681 B15R0.3221 COCCOCCOC[C@H](O)CC(=O)OC 7a_100011215163_100000754131 [0,1,0,0,0,0|3,0,0]=4 682 B15R0.3221 COCCOCCSC[C@H](O)CC(=O)OC 62a_100000695917_100000754131 [0,1,0,0,0,0|3,0,0]=4 683 B15R0.3221 COCCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000695917 [0,1,0,0,0,0|3,0,0]=4 684 B15R0.3232 CCCCCCCOCC(O)CS(=O)(=O)[O-] 34a_100000210272_100016993520 [0,1,0,0,0,0|2,0,1]=4 685 B15R0.3232 CCCCCCCOCC(O)CS(=O)(=O)[O-] 7a_100000210272_100016993520 [0,1,0,0,0,0|2,0,1]=4 686 B15R0.3232 CCCCCCCSCC(O)CS(=O)(=O)[O-] 62a_100000210614_100016993520 [0,1,0,0,0,0|2,0,1]=4 687 B15R0.3232 CCCCCCCSCC(O)CS(=O)(=O)[O-] 62a_100016993520_100000210316 [0,1,0,0,0,0|2,0,1]=4 688 B15R0.3245 CCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011216694 [0,1,0,0,0,0|3,0,0]=4 689 B15R0.3245 CCCCCCCCC(O)C(=O)CC(=O)N 1458a_200011995895_100000187820 [0,1,0,0,0,0|1,0,2]=4 690 B15R0.3245 CCCCCCCCC(O)C(=O)CC(=O)[O-] 1458a_200011995895_100020667443 [0,1,0,0,0,0|0,0,3]=4 691 B15R0.5055 CC(C)(CC(=O)O)NCCCCCCCO 269956a_100000755897_100000760002 [0,1,0,0,0,0|3,0,0]=4 692 B15R0.5055 CCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210759 [0,1,0,0,0,0|3,0,0]=4 693 B15R0.5055 CCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210759 [0,1,0,0,0,0|2,0,0]=3 694 B15R0.5055 CCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210759 [0,1,0,0,0,0|3,0,0]=4 695 B15R0.5055 COCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100011998445 [0,1,0,0,0,0|3,0,0]=4 696 B15R1.34 CCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011214924 [0,0,0,1,0,0|3,0,0]=4 697 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [0,0,0,1,0,0|3,0,0]=4 698 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,0,0,1,0,0|3,0,0]=4 699 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,0,0,1,0,0|3,0,0]=4 700 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [0,0,0,1,0,0|3,0,0]=4 701 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,0,0,1,0,0|3,0,0]=4 702 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,0,0,1,0,0|3,0,0]=4 703 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [0,0,0,1,0,0|3,0,0]=4 704 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [0,0,0,1,0,0|3,0,0]=4 705 B15R1.34 CCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229938_100015307671 [0,0,0,1,0,0|3,0,0]=4 706 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [0,0,0,1,0,0|3,0,0]=4 707 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,0,0,1,0,0|3,0,0]=4 708 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 34a_100000210272_100015307671 [0,0,0,1,0,0|3,0,0]=4 709 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 7a_100000210272_100015307671 [0,0,0,1,0,0|3,0,0]=4 710 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,0,0,1,0,0|3,0,0]=4 711 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,0,0,1,0,0|3,0,0]=4 712 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100000210614_100015307671 [0,0,0,1,0,0|3,0,0]=4 713 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210316 [0,0,0,1,0,0|3,0,0]=4 714 B15R1.130 CN(CCC1CCCCN1C)CC(=O)O 269956a_100000746989_100000211948 [0,0,0,1,0,0|3,0,0]=4 715 B15R1.130 O=C(O)CC(O)CNC1CCCCC1=O 269956a_100011218706_100000204591 [0,0,0,1,0,0|2,0,1]=4 716 B15R1.130 O=C(O)CC(O)CNC1CCCCC1F 269956a_100011218706_100015423560 [0,0,0,1,0,0|2,0,0]=3 717 B15R1.130 O=C(O)CC(O)CNC1CCCCC1O 269956a_100011218706_100000038908 [0,0,0,1,0,0|2,0,0]=3 718 B15R1.224 CCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210757 [0,0,0,1,0,0|2,0,0]=3 719 B15R1.224 CCCCOCN1CCC(C1)CC(=O)O 269956a_100000719201_100011995733 [0,0,0,1,0,0|3,0,0]=4 720 B15R1.224 CCCOCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011215938 [0,0,0,1,0,0|3,0,0]=4 721 B15R1.224 CCOCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100012232248 [0,0,0,1,0,0|3,0,0]=4 722 B15R1.224 COCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000730899 [0,0,0,1,0,0|3,0,0]=4 723 B15R1.224 O=C(O)CC1CCN(C1)CCCCCF 269956a_100000719201_100000729378 [0,0,0,1,0,0|3,0,0]=4 724 B15R1.224 O=C(O)CC1CCN(C1)CCCCCO 269956a_100000719201_100000746330 [0,0,0,1,0,0|3,0,0]=4 725 B15R1.258 O=C(O)CC(O)CNCCC1CCC1=O 269956a_100011218706_200016118888 [0,0,0,1,0,0|2,0,1]=4 726 B15R1.271 CCCC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100011218038 [0,0,0,1,0,0|3,0,0]=4 727 B15R1.829 CCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000750825 [0,0,0,1,0,0|3,0,0]=4 728 B15R1.1180 CCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210326 [0,0,0,1,0,0|2,0,0]=3 729 B15R1.1180 CCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210326 [0,0,0,1,0,0|3,0,0]=4 730 B15R1.1180 CCOCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210147 [0,0,0,1,0,0|3,0,0]=4 731 B15R1.1180 CCSCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000757381 [0,0,0,1,0,0|3,0,0]=4 732 B15R1.1180 COCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000740836 [0,0,0,1,0,0|3,0,0]=4 733 B15R1.1180 O=C(O)CC1CCCN(C1)CCCCF 269956a_100015207179_100000729493 [0,0,0,1,0,0|3,0,0]=4 734 B15R1.1180 O=C(O)CC1CCCN(C1)CCCCO 269956a_100015207179_100000210776 [0,0,0,1,0,0|3,0,0]=4 735 B15R1.1955 CCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210614 [0,0,0,1,0,0|2,0,0]=3 736 B15R1.1955 CCCCOCCN1CC(C1)CC(=O)O 269956a_100016993960_100000743108 [0,0,0,1,0,0|3,0,0]=4 737 B15R1.1955 O=C(O)CC1CN(C1)CCCCCCF 269956a_100016993960_100015922095 [0,0,0,1,0,0|3,0,0]=4 738 B15R1.1955 O=C(O)CC1CN(C1)CCCCCCO 269956a_100016993960_100000766143 [0,0,0,1,0,0|3,0,0]=4 739 B15R1.5503 O=C(O)CC(O)CNCCC1CCCC1 269956a_100011218706_100000760354 [0,0,0,1,0,0|1,0,0]=2 740 B15R1.5503 O=C(O)CC(O)CNCCC1OCCO1 269956a_100011218706_100000740749 [0,0,0,1,0,0|3,0,0]=4 741 B15R1.5503 O=C(O)CC(O)CNCCN1CCCC1 269956a_100011218706_100000004467 [0,0,0,1,0,0|2,0,0]=3 742 B15R1.9084 CN(CCCC1CCCCC1)CC(=O)N 2230a_100000739694_100011713725 [0,0,0,1,0,0|3,0,0]=4 743 B15R1.9084 CN(CCCC1CCCCC1)CC(=O)O 269956a_100000746989_100011713725 [0,0,0,1,0,0|2,0,0]=3 744 B15R1.9084 CN(CCCN1CCCCC1)CC(=O)O 269956a_100000746989_100000007876 [0,0,0,1,0,0|3,0,0]=4 745 B15R1.9084 CN(CCOC1CCCCC1)CC(=O)O 269956a_100000746989_100011211530 [0,0,0,1,0,0|3,0,0]=4 746 B15R1.9084 NC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000187820 [0,0,0,1,0,0|1,0,2]=4 747 B15R1.9084 NC(=O)CC(=O)CCCC1CCCCC1 1458a_100134613110_100011713725 [0,0,0,1,0,0|1,0,2]=4 748 B15R1.9084 O=C(O)CC(O)CNCC1CCCCC1 269956a_100011218706_100000211423 [0,0,0,1,0,0|1,0,0]=2 749 B15R1.9084 O=C(O)CC(O)CNCC1CCCCO1 269956a_100011218706_100000211543 [0,0,0,1,0,0|2,0,0]=3 750 B15R1.9084 O=C(O)CC(O)CNCC1CCCOC1 269956a_100011218706_100000741521 [0,0,0,1,0,0|2,0,0]=3 751 B15R1.9084 O=C(O)CC(O)CNCC1CCOCC1 269956a_100011218706_100000754603 [0,0,0,1,0,0|2,0,0]=3 752 B15R1.9084 O=C([O-])CC(=O)CCCC1CCCCC1 1458a_100000211478_100020667443 [0,0,0,1,0,0|0,0,3]=4 753 B15R1.22526 CN(CC(=O)N)C1CCCCCCCC1 270004a_100000739694_100000038600 [0,0,0,1,0,0|3,0,0]=4 754 B15R1.22532 CN(CCN1CCCCCC1)CC(=O)O 269956a_100000746989_100000722644 [0,0,0,1,0,0|3,0,0]=4 755 B15R1.22532 O=C(O)CC(O)CNC1CCCCCC1 269956a_100011218706_100011217769 [0,0,0,1,0,0|1,0,0]=2 756 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,0,0,0,1,0|3,0,0]=4 757 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,0,0,0,1,0|3,0,0]=4 758 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,0,0,0,1,0|3,0,0]=4 759 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,0,0,0,1,0|3,0,0]=4 760 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,0,0,0,1,0|3,0,0]=4 761 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,0,0,0,1,0|3,0,0]=4 762 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,0,0,0,1,0|3,0,0]=4 763 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,0,0,0,1,0|3,0,0]=4 764 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,0,0,0,1,0|3,0,0]=4 765 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,0,0,0,1,0|3,0,0]=4 766 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,0,0,0,1,0|3,0,0]=4 767 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,0,0,0,1,0|2,0,1]=4 768 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,0,0,0,1,0|2,0,0]=3 769 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,0,0,0,1,0|3,0,0]=4 770 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,0,0,0,1,0|3,0,0]=4 771 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,0,0,0,1,0|3,0,0]=4 772 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,0,0,0,1,0|3,0,0]=4 773 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,0,0,0,1,0|3,0,0]=4 774 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,0,0,0,1,0|3,0,0]=4 775 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,0,0,0,1,0|3,0,0]=4 776 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,0,0,0,1,0|3,0,0]=4 777 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,0,0,0,1,0|2,0,1]=4 778 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,0,0,0,1,0|2,0,1]=4 779 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,0,0,0,1,0|3,0,0]=4 780 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,0,0,0,1,0|3,0,0]=4 781 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,0,0,0,1,0|3,0,0]=4 782 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,0,0,0,1,0|3,0,0]=4 783 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,0,0,0,1,0|3,0,0]=4 784 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,0,0,0,1,0|3,0,0]=4 785 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,0,0,0,1,0|3,0,0]=4 786 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,0,0,0,1,0|3,0,0]=4 787 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,0,0,0,1,0|2,0,1]=4 788 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,0,0,0,1,0|2,0,1]=4 789 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,0,0,0,1,0|2,0,0]=3 790 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,0,0,0,1,0|2,0,0]=3 791 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,0,0,0,1,0|3,0,0]=4 792 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,0,0,0,1,0|3,0,0]=4 793 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [0,0,0,0,1,0|3,0,0]=4 794 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [0,0,0,0,1,0|3,0,0]=4 795 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [0,0,0,0,1,0|3,0,0]=4 796 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,0,0,0,1,0|3,0,0]=4 797 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,0,0,0,1,0|3,0,0]=4 798 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,0,0,0,1,0|3,0,0]=4 799 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,0,0,0,1,0|3,0,0]=4 800 B15R0.88 CC(=O)OCC(O)CNCCCCCCO 34a_100000686447_200000139349 [0,0,0,0,0,1|3,0,0]=4 801 B15R0.88 CC(=O)OCC(O)COCCCCCCBr 34a_100011215345_200000139349 [0,0,0,0,0,1|3,0,0]=4 802 B15R0.88 CC(=O)OCC(O)COCCCCCCBr 7a_100011215345_200000139349 [0,0,0,0,0,1|3,0,0]=4 803 B15R0.88 CC(=O)OCC(O)COCCCCCCCl 34a_100000766143_200000139349 [0,0,0,0,0,1|3,0,0]=4 804 B15R0.88 CC(=O)OCC(O)COCCCCCCCl 7a_100000766143_200000139349 [0,0,0,0,0,1|3,0,0]=4 805 B15R0.88 CC(=O)OCC(O)COCCCCCCF 34a_100000732779_200000139349 [0,0,0,0,0,1|3,0,0]=4 806 B15R0.88 CC(=O)OCC(O)COCCCCCCF 7a_100000732779_200000139349 [0,0,0,0,0,1|3,0,0]=4 807 B15R0.88 CC(=O)OCC(O)COCCCCCCN 34a_100000686447_200000139349 [0,0,0,0,0,1|3,0,0]=4 808 B15R0.88 CC(=O)OCC(O)CSCCCCCCF 62a_100015922095_200000139349 [0,0,0,0,0,1|3,0,0]=4 809 B15R0.88 CC(=O)OCC(O)CSCCCCCCF 62a_200000139349_100015922095 [0,0,0,0,0,1|3,0,0]=4 810 B15R0.88 CC(=O)OCC(O)CSCCCCCCO 62a_100000766143_200000139349 [0,0,0,0,0,1|3,0,0]=4 811 B15R0.88 CC(=O)OCC(O)CSCCCCCCO 62a_200000139349_100000766143 [0,0,0,0,0,1|3,0,0]=4 812 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,0,0,0,0,1|1,0,2]=4 813 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,0,0,0,0,1|1,0,2]=4 814 B15R0.88 CCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210670 [0,0,0,0,0,1|1,0,2]=4 815 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,0,0,0,0,1|1,0,2]=4 816 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,0,0,0,0,1|1,0,2]=4 817 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210558 [0,0,0,0,0,1|1,0,2]=4 818 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210558 [0,0,0,0,0,1|1,0,2]=4 819 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210558 [0,0,0,0,0,1|1,0,2]=4 820 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,0,0,0,0,1|1,0,2]=4 821 B15R0.88 CCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011215753 [0,0,0,0,0,1|2,0,1]=4 822 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,0,0,0,0,1|2,0,0]=3 823 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,0,0,0,0,1|2,0,0]=3 824 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,0,0,0,0,1|1,0,1]=3 825 B15R0.88 CCCCCCCCCC(C)OCC(C)O 34a_100011218016_100011218427 [0,0,0,0,0,1|2,0,1]=4 826 B15R0.88 CCCCCCCCCC(C)OCC(C)O 7a_100011218016_100011218427 [0,0,0,0,0,1|2,0,1]=4 827 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 34a_100011218016_100009817552 [0,0,0,0,0,1|2,0,1]=4 828 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 7a_100011218016_100009817552 [0,0,0,0,0,1|2,0,1]=4 829 B15R0.88 CCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011218016_100000761209 [0,0,0,0,0,1|2,0,1]=4 830 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,0,0,0,0,1|3,0,0]=4 831 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,0,0,0,0,1|3,0,0]=4 832 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,0,0,0,0,1|3,0,0]=4 833 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,0,0,0,0,1|3,0,0]=4 834 B15R0.88 CCCCCCCCCN(C)COC(=O)C 269982a_100000232482_100000076356 [0,0,0,0,0,1|3,0,0]=4 835 B15R0.88 CCCCCCCCNC(C)COC(=O)C 270004a_100000229939_100000000629 [0,0,0,0,0,1|3,0,0]=4 836 B15R0.88 CCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210614 [0,0,0,0,0,1|1,0,2]=4 837 B15R0.88 CCCCCCCNCC(C)CSC(=O)C 2230a_100000229938_200000116872 [0,0,0,0,0,1|3,0,0]=4 838 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 34a_100000210272_200000116872 [0,0,0,0,0,1|3,0,0]=4 839 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 7a_100000210272_200000116872 [0,0,0,0,0,1|3,0,0]=4 840 B15R0.88 CCCCCCCOCC(O)COC(=O)C 34a_100000210272_200000139349 [0,0,0,0,0,1|2,0,0]=3 841 B15R0.88 CCCCCCCOCC(O)COC(=O)C 7a_100000210272_200000139349 [0,0,0,0,0,1|2,0,0]=3 842 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_100000210614_200000116872 [0,0,0,0,0,1|3,0,0]=4 843 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210316 [0,0,0,0,0,1|3,0,0]=4 844 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_100000210614_200000139349 [0,0,0,0,0,1|2,0,0]=3 845 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210316 [0,0,0,0,0,1|2,0,0]=3 846 B15R0.88 CCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210757 [0,0,0,0,0,1|1,0,2]=4 847 B15R0.88 CCCCOCCOCC(O)COC(=O)C 34a_100000210238_200000139349 [0,0,0,0,0,1|3,0,0]=4 848 B15R0.88 CCCCOCCOCC(O)COC(=O)C 7a_100000210238_200000139349 [0,0,0,0,0,1|3,0,0]=4 849 B15R0.88 CCCCOCCSCC(O)COC(=O)C 62a_100000743108_200000139349 [0,0,0,0,0,1|3,0,0]=4 850 B15R0.88 CCCCOCCSCC(O)COC(=O)C 62a_200000139349_100000743108 [0,0,0,0,0,1|3,0,0]=4 851 B15R0.88 CCCCSCCOCC(O)COC(=O)C 34a_200000230436_200000139349 [0,0,0,0,0,1|3,0,0]=4 852 B15R0.88 CCCCSCCOCC(O)COC(=O)C 7a_200000230436_200000139349 [0,0,0,0,0,1|3,0,0]=4 853 B15R0.88 CCCOCCCNCC(O)COC(=O)C 34a_100011217757_200000139349 [0,0,0,0,0,1|3,0,0]=4 854 B15R0.88 CNCCCCCOCC(O)COC(=O)C 34a_100000722520_200000139349 [0,0,0,0,0,1|3,0,0]=4 855 B15R0.88 COCCCCCNCC(O)COC(=O)C 34a_100000747528_200000139349 [0,0,0,0,0,1|3,0,0]=4 856 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [2,0,0,0,0,0|2,0,0]=4 857 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [2,0,0,0,0,0|2,0,0]=4 858 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [2,0,0,0,0,0|2,0,0]=4 859 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [2,0,0,0,0,0|2,0,0]=4 860 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [2,0,0,0,0,0|2,0,0]=4 861 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [2,0,0,0,0,0|2,0,0]=4 862 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [2,0,0,0,0,0|2,0,0]=4 863 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [2,0,0,0,0,0|2,0,0]=4 864 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [2,0,0,0,0,0|2,0,0]=4 865 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [2,0,0,0,0,0|2,0,0]=4 866 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [2,0,0,0,0,0|2,0,0]=4 867 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [2,0,0,0,0,0|2,0,0]=4 868 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [2,0,0,0,0,0|2,0,0]=4 869 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [2,0,0,0,0,0|2,0,0]=4 870 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [2,0,0,0,0,0|2,0,0]=4 871 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [2,0,0,0,0,0|2,0,0]=4 872 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [2,0,0,0,0,0|2,0,0]=4 873 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [2,0,0,0,0,0|2,0,0]=4 874 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [2,0,0,0,0,0|2,0,0]=4 875 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [2,0,0,0,0,0|2,0,0]=4 876 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [2,0,0,0,0,0|2,0,0]=4 877 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [2,0,0,0,0,0|2,0,0]=4 878 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [2,0,0,0,0,0|2,0,0]=4 879 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [2,0,0,0,0,0|2,0,0]=4 880 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [2,0,0,0,0,0|2,0,0]=4 881 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [2,0,0,0,0,0|2,0,0]=4 882 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [2,0,0,0,0,0|2,0,0]=4 883 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [2,0,0,0,0,0|2,0,0]=4 884 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [2,0,0,0,0,0|2,0,0]=4 885 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [2,0,0,0,0,0|2,0,0]=4 886 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [2,0,0,0,0,0|2,0,0]=4 887 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [2,0,0,0,0,0|2,0,0]=4 888 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [2,0,0,0,0,0|2,0,0]=4 889 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [2,0,0,0,0,0|2,0,0]=4 890 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [2,0,0,0,0,0|2,0,0]=4 891 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [2,0,0,0,0,0|2,0,0]=4 892 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [2,0,0,0,0,0|2,0,0]=4 893 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [2,0,0,0,0,0|2,0,0]=4 894 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [2,0,0,0,0,0|2,0,0]=4 895 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [2,0,0,0,0,0|2,0,0]=4 896 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [2,0,0,0,0,0|2,0,0]=4 897 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [2,0,0,0,0,0|2,0,0]=4 898 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [2,0,0,0,0,0|2,0,0]=4 899 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [2,0,0,0,0,0|2,0,0]=4 900 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [2,0,0,0,0,0|2,0,0]=4 901 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [2,0,0,0,0,0|2,0,0]=4 902 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [2,0,0,0,0,0|2,0,0]=4 903 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [2,0,0,0,0,0|2,0,0]=4 904 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [2,0,0,0,0,0|2,0,0]=4 905 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [2,0,0,0,0,0|2,0,0]=4 906 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [2,0,0,0,0,0|2,0,0]=4 907 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [2,0,0,0,0,0|2,0,0]=4 908 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [2,0,0,0,0,0|2,0,0]=4 909 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [2,0,0,0,0,0|2,0,0]=4 910 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [2,0,0,0,0,0|2,0,0]=4 911 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [2,0,0,0,0,0|2,0,0]=4 912 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [2,0,0,0,0,0|2,0,0]=4 913 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [2,0,0,0,0,0|2,0,0]=4 914 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [2,0,0,0,0,0|2,0,0]=4 915 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [2,0,0,0,0,0|2,0,0]=4 916 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [2,0,0,0,0,0|2,0,0]=4 917 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [2,0,0,0,0,0|2,0,0]=4 918 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [2,0,0,0,0,0|2,0,0]=4 919 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [2,0,0,0,0,0|2,0,0]=4 920 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [2,0,0,0,0,0|2,0,0]=4 921 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [2,0,0,0,0,0|2,0,0]=4 922 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [2,0,0,0,0,0|2,0,0]=4 923 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [2,0,0,0,0,0|2,0,0]=4 924 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [2,0,0,0,0,0|2,0,0]=4 925 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [2,0,0,0,0,0|2,0,0]=4 926 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [2,0,0,0,0,0|2,0,0]=4 927 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [2,0,0,0,0,0|2,0,0]=4 928 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [2,0,0,0,0,0|2,0,0]=4 929 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [2,0,0,0,0,0|2,0,0]=4 930 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [2,0,0,0,0,0|2,0,0]=4 931 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [2,0,0,0,0,0|2,0,0]=4 932 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [2,0,0,0,0,0|2,0,0]=4 933 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [2,0,0,0,0,0|2,0,0]=4 934 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [2,0,0,0,0,0|2,0,0]=4 935 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [2,0,0,0,0,0|2,0,0]=4 936 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [2,0,0,0,0,0|2,0,0]=4 937 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [2,0,0,0,0,0|2,0,0]=4 938 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [2,0,0,0,0,0|2,0,0]=4 939 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [2,0,0,0,0,0|2,0,0]=4 940 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [2,0,0,0,0,0|2,0,0]=4 941 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [2,0,0,0,0,0|2,0,0]=4 942 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [2,0,0,0,0,0|2,0,0]=4 943 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [2,0,0,0,0,0|2,0,0]=4 944 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [2,0,0,0,0,0|2,0,0]=4 945 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [2,0,0,0,0,0|2,0,0]=4 946 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [2,0,0,0,0,0|2,0,0]=4 947 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [2,0,0,0,0,0|1,0,0]=3 948 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [2,0,0,0,0,0|1,0,0]=3 949 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [2,0,0,0,0,0|1,0,1]=4 950 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [2,0,0,0,0,0|1,0,1]=4 951 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [2,0,0,0,0,0|1,0,1]=4 952 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [2,0,0,0,0,0|1,0,1]=4 953 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [2,0,0,0,0,0|1,0,0]=3 954 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [2,0,0,0,0,0|1,0,0]=3 955 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [2,0,0,0,0,0|1,0,1]=4 956 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [2,0,0,0,0,0|1,0,1]=4 957 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [2,0,0,0,0,0|1,0,0]=3 958 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [2,0,0,0,0,0|1,0,1]=4 959 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [2,0,0,0,0,0|1,0,1]=4 960 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [2,0,0,0,0,0|1,0,1]=4 961 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [2,0,0,0,0,0|1,0,1]=4 962 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [2,0,0,0,0,0|1,0,1]=4 963 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [2,0,0,0,0,0|1,0,1]=4 964 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [2,0,0,0,0,0|1,0,1]=4 965 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [2,0,0,0,0,0|1,0,0]=3 966 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [2,0,0,0,0,0|1,0,1]=4 967 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [2,0,0,0,0,0|1,0,1]=4 968 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [2,0,0,0,0,0|1,0,1]=4 969 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [2,0,0,0,0,0|1,0,0]=3 970 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [2,0,0,0,0,0|1,0,1]=4 971 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [2,0,0,0,0,0|1,0,1]=4 972 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [2,0,0,0,0,0|1,0,0]=3 973 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [2,0,0,0,0,0|1,0,0]=3 974 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [2,0,0,0,0,0|1,0,1]=4 975 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [2,0,0,0,0,0|1,0,1]=4 976 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [2,0,0,0,0,0|1,0,0]=3 977 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [2,0,0,0,0,0|1,0,1]=4 978 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [2,0,0,0,0,0|1,0,1]=4 979 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [2,0,0,0,0,0|1,0,1]=4 980 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [2,0,0,0,0,0|1,0,0]=3 981 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [2,0,0,0,0,0|1,0,1]=4 982 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [2,0,0,0,0,0|1,0,1]=4 983 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [2,0,0,0,0,0|2,0,0]=4 984 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [2,0,0,0,0,0|2,0,0]=4 985 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [2,0,0,0,0,0|1,0,0]=3 986 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [2,0,0,0,0,0|1,0,0]=3 987 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [2,0,0,0,0,0|1,0,1]=4 988 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [2,0,0,0,0,0|1,0,1]=4 989 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [2,0,0,0,0,0|1,0,0]=3 990 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [2,0,0,0,0,0|1,0,1]=4 991 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [2,0,0,0,0,0|1,0,1]=4 992 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [2,0,0,0,0,0|1,0,1]=4 993 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [2,0,0,0,0,0|1,0,0]=3 994 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [2,0,0,0,0,0|1,0,1]=4 995 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [2,0,0,0,0,0|1,0,1]=4 996 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [2,0,0,0,0,0|1,0,0]=3 997 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [2,0,0,0,0,0|1,0,0]=3 998 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [2,0,0,0,0,0|1,0,1]=4 999 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [2,0,0,0,0,0|1,0,1]=4 1000 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [2,0,0,0,0,0|1,0,1]=4 1001 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [2,0,0,0,0,0|1,0,1]=4 1002 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [2,0,0,0,0,0|1,0,1]=4 1003 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [2,0,0,0,0,0|1,0,1]=4 1004 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [2,0,0,0,0,0|2,0,0]=4 1005 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [2,0,0,0,0,0|1,0,1]=4 1006 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [2,0,0,0,0,0|1,0,1]=4 1007 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [2,0,0,0,0,0|2,0,0]=4 1008 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [2,0,0,0,0,0|2,0,0]=4 1009 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [2,0,0,0,0,0|2,0,0]=4 1010 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [2,0,0,0,0,0|2,0,0]=4 1011 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [2,0,0,0,0,0|2,0,0]=4 1012 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [2,0,0,0,0,0|2,0,0]=4 1013 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [2,0,0,0,0,0|2,0,0]=4 1014 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [2,0,0,0,0,0|1,0,1]=4 1015 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [2,0,0,0,0,0|1,0,1]=4 1016 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [2,0,0,0,0,0|2,0,0]=4 1017 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [2,0,0,0,0,0|2,0,0]=4 1018 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [2,0,0,0,0,0|1,0,1]=4 1019 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [2,0,0,0,0,0|1,0,1]=4 1020 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [2,0,0,0,0,0|1,0,1]=4 1021 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [2,0,0,0,0,0|2,0,0]=4 1022 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [2,0,0,0,0,0|2,0,0]=4 1023 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [2,0,0,0,0,0|2,0,0]=4 1024 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [2,0,0,0,0,0|2,0,0]=4 1025 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [2,0,0,0,0,0|2,0,0]=4 1026 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [2,0,0,0,0,0|1,0,1]=4 1027 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [2,0,0,0,0,0|1,0,1]=4 1028 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [2,0,0,0,0,0|2,0,0]=4 1029 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [2,0,0,0,0,0|2,0,0]=4 1030 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [2,0,0,0,0,0|1,0,1]=4 1031 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [2,0,0,0,0,0|1,0,1]=4 1032 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [2,0,0,0,0,0|1,0,1]=4 1033 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [2,0,0,0,0,0|1,0,1]=4 1034 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [2,0,0,0,0,0|2,0,0]=4 1035 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [2,0,0,0,0,0|2,0,0]=4 1036 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [2,0,0,0,0,0|2,0,0]=4 1037 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [2,0,0,0,0,0|2,0,0]=4 1038 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [2,0,0,0,0,0|2,0,0]=4 1039 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [2,0,0,0,0,0|2,0,0]=4 1040 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [2,0,0,0,0,0|2,0,0]=4 1041 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [2,0,0,0,0,0|2,0,0]=4 1042 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [2,0,0,0,0,0|1,0,1]=4 1043 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [2,0,0,0,0,0|1,0,1]=4 1044 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [2,0,0,0,0,0|2,0,0]=4 1045 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [2,0,0,0,0,0|2,0,0]=4 1046 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [2,0,0,0,0,0|2,0,0]=4 1047 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [2,0,0,0,0,0|2,0,0]=4 1048 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [2,0,0,0,0,0|2,0,0]=4 1049 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [2,0,0,0,0,0|1,0,1]=4 1050 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [2,0,0,0,0,0|1,0,1]=4 1051 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [2,0,0,0,0,0|1,0,1]=4 1052 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [2,0,0,0,0,0|1,0,1]=4 1053 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [2,0,0,0,0,0|1,0,1]=4 1054 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [2,0,0,0,0,0|1,0,1]=4 1055 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [2,0,0,0,0,0|2,0,0]=4 1056 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [2,0,0,0,0,0|2,0,0]=4 1057 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [2,0,0,0,0,0|2,0,0]=4 1058 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [2,0,0,0,0,0|2,0,0]=4 1059 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [2,0,0,0,0,0|2,0,0]=4 1060 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [2,0,0,0,0,0|1,0,1]=4 1061 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [2,0,0,0,0,0|1,0,1]=4 1062 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [2,0,0,0,0,0|2,0,0]=4 1063 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [2,0,0,0,0,0|2,0,0]=4 1064 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [2,0,0,0,0,0|2,0,0]=4 1065 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [2,0,0,0,0,0|2,0,0]=4 1066 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [2,0,0,0,0,0|2,0,0]=4 1067 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [2,0,0,0,0,0|2,0,0]=4 1068 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [2,0,0,0,0,0|2,0,0]=4 1069 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [2,0,0,0,0,0|2,0,0]=4 1070 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [2,0,0,0,0,0|2,0,0]=4 1071 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [2,0,0,0,0,0|2,0,0]=4 1072 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [2,0,0,0,0,0|2,0,0]=4 1073 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [2,0,0,0,0,0|2,0,0]=4 1074 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [2,0,0,0,0,0|2,0,0]=4 1075 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [2,0,0,0,0,0|2,0,0]=4 1076 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [2,0,0,0,0,0|2,0,0]=4 1077 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [2,0,0,0,0,0|2,0,0]=4 1078 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [2,0,0,0,0,0|2,0,0]=4 1079 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [2,0,0,0,0,0|2,0,0]=4 1080 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [2,0,0,0,0,0|2,0,0]=4 1081 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [2,0,0,0,0,0|2,0,0]=4 1082 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [2,0,0,0,0,0|2,0,0]=4 1083 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [2,0,0,0,0,0|2,0,0]=4 1084 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [2,0,0,0,0,0|2,0,0]=4 1085 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [2,0,0,0,0,0|2,0,0]=4 1086 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [2,0,0,0,0,0|2,0,0]=4 1087 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [2,0,0,0,0,0|2,0,0]=4 1088 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [2,0,0,0,0,0|2,0,0]=4 1089 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [2,0,0,0,0,0|2,0,0]=4 1090 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [2,0,0,0,0,0|2,0,0]=4 1091 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [2,0,0,0,0,0|2,0,0]=4 1092 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [2,0,0,0,0,0|2,0,0]=4 1093 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [2,0,0,0,0,0|2,0,0]=4 1094 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [2,0,0,0,0,0|2,0,0]=4 1095 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [2,0,0,0,0,0|2,0,0]=4 1096 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [2,0,0,0,0,0|2,0,0]=4 1097 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [2,0,0,0,0,0|1,0,1]=4 1098 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [2,0,0,0,0,0|1,0,1]=4 1099 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [2,0,0,0,0,0|1,0,1]=4 1100 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [2,0,0,0,0,0|1,0,1]=4 1101 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [2,0,0,0,0,0|1,0,1]=4 1102 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [2,0,0,0,0,0|1,0,1]=4 1103 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [2,0,0,0,0,0|1,0,1]=4 1104 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [2,0,0,0,0,0|1,0,1]=4 1105 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [2,0,0,0,0,0|1,0,1]=4 1106 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [2,0,0,0,0,0|0,0,2]=4 1107 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [2,0,0,0,0,0|2,0,0]=4 1108 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [2,0,0,0,0,0|2,0,0]=4 1109 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [2,0,0,0,0,0|2,0,0]=4 1110 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [2,0,0,0,0,0|2,0,0]=4 1111 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [2,0,0,0,0,0|2,0,0]=4 1112 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [2,0,0,0,0,0|2,0,0]=4 1113 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [2,0,0,0,0,0|2,0,0]=4 1114 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [2,0,0,0,0,0|2,0,0]=4 1115 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [2,0,0,0,0,0|2,0,0]=4 1116 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [2,0,0,0,0,0|1,0,1]=4 1117 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [2,0,0,0,0,0|1,0,1]=4 1118 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [2,0,0,0,0,0|1,0,0]=3 1119 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [2,0,0,0,0,0|2,0,0]=4 1120 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [2,0,0,0,0,0|2,0,0]=4 1121 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [2,0,0,0,0,0|2,0,0]=4 1122 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [2,0,0,0,0,0|1,0,0]=3 1123 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [2,0,0,0,0,0|1,0,0]=3 1124 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [2,0,0,0,0,0|1,0,1]=4 1125 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [2,0,0,0,0,0|1,0,1]=4 1126 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [2,0,0,0,0,0|1,0,0]=3 1127 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [2,0,0,0,0,0|1,0,0]=3 1128 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [2,0,0,0,0,0|2,0,0]=4 1129 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [2,0,0,0,0,0|2,0,0]=4 1130 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [2,0,0,0,0,0|2,0,0]=4 1131 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [2,0,0,0,0,0|2,0,0]=4 1132 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [2,0,0,0,0,0|1,0,0]=3 1133 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [2,0,0,0,0,0|1,0,0]=3 1134 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [2,0,0,0,0,0|1,0,1]=4 1135 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [2,0,0,0,0,0|1,0,1]=4 1136 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [2,0,0,0,0,0|1,0,0]=3 1137 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [2,0,0,0,0,0|1,0,0]=3 1138 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [2,0,0,0,0,0|2,0,0]=4 1139 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [2,0,0,0,0,0|2,0,0]=4 1140 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [2,0,0,0,0,0|2,0,0]=4 1141 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [2,0,0,0,0,0|2,0,0]=4 1142 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [2,0,0,0,0,0|1,0,0]=3 1143 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [2,0,0,0,0,0|1,0,0]=3 1144 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [2,0,0,0,0,0|2,0,0]=4 1145 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [2,0,0,0,0,0|2,0,0]=4 1146 B12R0.248 CCCCOCCNC[C@H](O)CO 2230a_100020644852_100000743108 [2,0,0,0,0,0|2,0,0]=4 1147 B12R0.248 CCCCOCCOCC(O)CO 34a_100000210238_100011219619 [2,0,0,0,0,0|2,0,0]=4 1148 B12R0.248 CCCCOCCOCC(O)CO 7a_100000210238_100011219619 [2,0,0,0,0,0|2,0,0]=4 1149 B12R0.248 CCCCOCCOC[C@@H](O)CO 34a_100000210238_100009815848 [2,0,0,0,0,0|2,0,0]=4 1150 B12R0.248 CCCCOCCOC[C@@H](O)CO 7a_100000210238_100009815848 [2,0,0,0,0,0|2,0,0]=4 1151 B12R0.248 CCCCOCCSCC(O)CO 62a_100000743108_100011219619 [2,0,0,0,0,0|2,0,0]=4 1152 B12R0.248 CCCCOCCSCC(O)CO 62a_100011219619_100000743108 [2,0,0,0,0,0|2,0,0]=4 1153 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100000743108_100009815848 [2,0,0,0,0,0|2,0,0]=4 1154 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100009815848_100000743108 [2,0,0,0,0,0|2,0,0]=4 1155 B12R0.248 CCCCSCCNCC(O)CO 2230a_100025743550_100011219619 [2,0,0,0,0,0|2,0,0]=4 1156 B12R0.248 CCCCSCCNC[C@@H](O)CO 2230a_100025743550_100009815848 [2,0,0,0,0,0|2,0,0]=4 1157 B12R0.248 CCCCSCCOCC(O)CO 34a_200000230436_100011219619 [2,0,0,0,0,0|2,0,0]=4 1158 B12R0.248 CCCCSCCOCC(O)CO 7a_200000230436_100011219619 [2,0,0,0,0,0|2,0,0]=4 1159 B12R0.248 CCCCSCCOC[C@@H](O)CO 34a_200000230436_100009815848 [2,0,0,0,0,0|2,0,0]=4 1160 B12R0.248 CCCCSCCOC[C@@H](O)CO 7a_200000230436_100009815848 [2,0,0,0,0,0|2,0,0]=4 1161 B12R0.248 CCCOCCCNCC(O)CO 2230a_100011217757_100011219619 [2,0,0,0,0,0|2,0,0]=4 1162 B12R0.248 CCCOCCCNCC(O)CO 34a_100011217757_100011219619 [2,0,0,0,0,0|2,0,0]=4 1163 B12R0.248 CCCOCCCNC[C@@H](O)CO 2230a_100011217757_100009815848 [2,0,0,0,0,0|2,0,0]=4 1164 B12R0.248 CCCOCCCNC[C@@H](O)CO 34a_100011217757_100009815848 [2,0,0,0,0,0|2,0,0]=4 1165 B12R0.248 CNCCCCCOCC(O)CO 34a_100000722520_100011219619 [2,0,0,0,0,0|2,0,0]=4 1166 B12R0.248 CNCCCCCOC[C@@H](O)CO 34a_100000722520_100009815848 [2,0,0,0,0,0|2,0,0]=4 1167 B12R0.248 COCCCCCNCC(O)CO 2230a_100000747528_100011219619 [2,0,0,0,0,0|2,0,0]=4 1168 B12R0.248 COCCCCCNCC(O)CO 34a_100000747528_100011219619 [2,0,0,0,0,0|2,0,0]=4 1169 B12R0.248 COCCCCCNC[C@@H](O)CO 2230a_100000747528_100009815848 [2,0,0,0,0,0|2,0,0]=4 1170 B12R0.248 COCCCCCNC[C@@H](O)CO 34a_100000747528_100009815848 [2,0,0,0,0,0|2,0,0]=4 1171 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [2,0,0,0,0,0|2,0,0]=4 1172 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [2,0,0,0,0,0|2,0,0]=4 1173 B12R0.248 OCC(O)COCCCCCCBr 34a_100011215345_100011219619 [2,0,0,0,0,0|2,0,0]=4 1174 B12R0.248 OCC(O)COCCCCCCBr 7a_100011215345_100011219619 [2,0,0,0,0,0|2,0,0]=4 1175 B12R0.248 OCC(O)COCCCCCCCl 34a_100000766143_100011219619 [2,0,0,0,0,0|2,0,0]=4 1176 B12R0.248 OCC(O)COCCCCCCCl 7a_100000766143_100011219619 [2,0,0,0,0,0|2,0,0]=4 1177 B12R0.248 OCC(O)COCCCCCCF 34a_100000732779_100011219619 [2,0,0,0,0,0|2,0,0]=4 1178 B12R0.248 OCC(O)COCCCCCCF 7a_100000732779_100011219619 [2,0,0,0,0,0|2,0,0]=4 1179 B12R0.248 OCC(O)CSCCCCCCF 62a_100011219619_100015922095 [2,0,0,0,0,0|2,0,0]=4 1180 B12R0.248 OCC(O)CSCCCCCCF 62a_100015922095_100011219619 [2,0,0,0,0,0|2,0,0]=4 1181 B12R0.248 OCCCCCCNCC(O)CO 2230a_100000686447_100011219619 [2,0,0,0,0,0|2,0,0]=4 1182 B12R0.248 OCCCCCCNCC(O)CO 34a_100000686447_100011219619 [2,0,0,0,0,0|2,0,0]=4 1183 B12R0.248 OCCCCCCNC[C@@H](O)CO 2230a_100000686447_100009815848 [2,0,0,0,0,0|2,0,0]=4 1184 B12R0.248 OCCCCCCNC[C@@H](O)CO 34a_100000686447_100009815848 [2,0,0,0,0,0|2,0,0]=4 1185 B12R0.248 OCCCCCCNC[C@H](O)CO 2230a_100020644852_100000766143 [2,0,0,0,0,0|2,0,0]=4 1186 B12R0.248 OCCCCCCSCC(O)CO 62a_100000766143_100011219619 [2,0,0,0,0,0|2,0,0]=4 1187 B12R0.248 OCCCCCCSCC(O)CO 62a_100011219619_100000766143 [2,0,0,0,0,0|2,0,0]=4 1188 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100000766143_100009815848 [2,0,0,0,0,0|2,0,0]=4 1189 B12R0.248 OCCCCCCSC[C@@H](O)CO 62a_100009815848_100000766143 [2,0,0,0,0,0|2,0,0]=4 1190 B12R0.248 OC[C@@H](O)CNCCCCCCF 2230a_100020644852_100015922095 [2,0,0,0,0,0|2,0,0]=4 1191 B12R0.248 OC[C@H](O)COCCCCCCBr 34a_100011215345_100009815848 [2,0,0,0,0,0|2,0,0]=4 1192 B12R0.248 OC[C@H](O)COCCCCCCBr 7a_100011215345_100009815848 [2,0,0,0,0,0|2,0,0]=4 1193 B12R0.248 OC[C@H](O)COCCCCCCCl 34a_100000766143_100009815848 [2,0,0,0,0,0|2,0,0]=4 1194 B12R0.248 OC[C@H](O)COCCCCCCCl 7a_100000766143_100009815848 [2,0,0,0,0,0|2,0,0]=4 1195 B12R0.248 OC[C@H](O)COCCCCCCF 34a_100000732779_100009815848 [2,0,0,0,0,0|2,0,0]=4 1196 B12R0.248 OC[C@H](O)COCCCCCCF 7a_100000732779_100009815848 [2,0,0,0,0,0|2,0,0]=4 1197 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100009815848_100015922095 [2,0,0,0,0,0|2,0,0]=4 1198 B12R0.248 OC[C@H](O)CSCCCCCCF 62a_100015922095_100009815848 [2,0,0,0,0,0|2,0,0]=4 1199 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [2,0,0,0,0,0|2,0,0]=4 1200 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [2,0,0,0,0,0|2,0,0]=4 1201 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [2,0,0,0,0,0|1,0,0]=3 1202 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [2,0,0,0,0,0|1,0,0]=3 1203 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [2,0,0,0,0,0|1,0,0]=3 1204 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 1205 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 1206 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 1207 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [2,0,0,0,0,0|2,0,0]=4 1208 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [2,0,0,0,0,0|2,0,0]=4 1209 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [2,0,0,0,0,0|2,0,0]=4 1210 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [2,0,0,0,0,0|2,0,0]=4 1211 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [2,0,0,0,0,0|1,0,0]=3 1212 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [2,0,0,0,0,0|1,0,1]=4 1213 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [2,0,0,0,0,0|2,0,0]=4 1214 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [2,0,0,0,0,0|2,0,0]=4 1215 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 1216 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 1217 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [2,0,0,0,0,0|2,0,0]=4 1218 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [2,0,0,0,0,0|1,0,1]=4 1219 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [2,0,0,0,0,0|2,0,0]=4 1220 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [2,0,0,0,0,0|2,0,0]=4 1221 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [2,0,0,0,0,0|1,0,1]=4 1222 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [2,0,0,0,0,0|1,0,1]=4 1223 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [2,0,0,0,0,0|2,0,0]=4 1224 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [2,0,0,0,0,0|2,0,0]=4 1225 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 1226 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [2,0,0,0,0,0|2,0,0]=4 1227 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 1228 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [2,0,0,0,0,0|2,0,0]=4 1229 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 1230 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [2,0,0,0,0,0|2,0,0]=4 1231 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 1232 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [2,0,0,0,0,0|2,0,0]=4 1233 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [2,0,0,0,0,0|2,0,0]=4 1234 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [2,0,0,0,0,0|2,0,0]=4 1235 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [2,0,0,0,0,0|2,0,0]=4 1236 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [2,0,0,0,0,0|2,0,0]=4 1237 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [2,0,0,0,0,0|2,0,0]=4 1238 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 1239 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [2,0,0,0,0,0|2,0,0]=4 1240 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 1241 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 1242 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 1243 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [2,0,0,0,0,0|2,0,0]=4 1244 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [2,0,0,0,0,0|2,0,0]=4 1245 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [2,0,0,0,0,0|2,0,0]=4 1246 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [2,0,0,0,0,0|2,0,0]=4 1247 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [2,0,0,0,0,0|2,0,0]=4 1248 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [2,0,0,0,0,0|2,0,0]=4 1249 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [2,0,0,0,0,0|2,0,0]=4 1250 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [2,0,0,0,0,0|2,0,0]=4 1251 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [2,0,0,0,0,0|2,0,0]=4 1252 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [2,0,0,0,0,0|2,0,0]=4 1253 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [2,0,0,0,0,0|2,0,0]=4 1254 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [2,0,0,0,0,0|2,0,0]=4 1255 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [2,0,0,0,0,0|2,0,0]=4 1256 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [2,0,0,0,0,0|2,0,0]=4 1257 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [2,0,0,0,0,0|2,0,0]=4 1258 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 1259 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [2,0,0,0,0,0|2,0,0]=4 1260 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 1261 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [2,0,0,0,0,0|1,0,1]=4 1262 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [2,0,0,0,0,0|2,0,0]=4 1263 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [2,0,0,0,0,0|2,0,0]=4 1264 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [2,0,0,0,0,0|2,0,0]=4 1265 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [2,0,0,0,0,0|2,0,0]=4 1266 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [2,0,0,0,0,0|2,0,0]=4 1267 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [2,0,0,0,0,0|1,0,0]=3 1268 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [2,0,0,0,0,0|1,0,0]=3 1269 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [2,0,0,0,0,0|2,0,0]=4 1270 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [2,0,0,0,0,0|1,0,0]=3 1271 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [2,0,0,0,0,0|2,0,0]=4 1272 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [2,0,0,0,0,0|2,0,0]=4 1273 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [2,0,0,0,0,0|2,0,0]=4 1274 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [2,0,0,0,0,0|2,0,0]=4 1275 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [2,0,0,0,0,0|2,0,0]=4 1276 B14R0.90 C=CC[C@H](CO)NCCCCCCCC 2230a_100020615467_100000210759 [1,1,0,0,0,0|2,0,0]=4 1277 B14R0.393 C=CCC(C)COCCCCCCCC 34a_100009832082_100000210759 [1,1,0,0,0,0|2,0,0]=4 1278 B14R0.393 C=CCC(C)COCCCCCCCC 7a_100009832082_100000210759 [1,1,0,0,0,0|2,0,0]=4 1279 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 34a_100000731007_100011214924 [1,1,0,0,0,0|2,0,0]=4 1280 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 7a_100000731007_100000210328 [1,1,0,0,0,0|2,0,0]=4 1281 B14R0.393 C=CC[C@@H](N)COCCCCCCCC 34a_100020615467_100000210759 [1,1,0,0,0,0|2,0,0]=4 1282 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [1,1,0,0,0,0|2,0,0]=4 1283 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [1,1,0,0,0,0|2,0,0]=4 1284 B14R0.393 CCCCCCCCCNC(C)CCO 2230a_100000212291_100009893172 [1,1,0,0,0,0|1,0,1]=4 1285 B14R0.393 CCCCCCCCCNC(C)CCO 34a_100000212291_100009893172 [1,1,0,0,0,0|1,0,1]=4 1286 B14R0.393 CCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011214924 [1,1,0,0,0,0|1,0,1]=4 1287 B14R0.393 CCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011214924 [1,1,0,0,0,0|1,0,1]=4 1288 B14R0.393 CCCCCCCCCOC(C)CCO 34a_100000210712_100009893172 [1,1,0,0,0,0|1,0,1]=4 1289 B14R0.393 CCCCCCCCCOC(C)CCO 7a_100000210712_100009893172 [1,1,0,0,0,0|1,0,1]=4 1290 B14R0.393 CCCCCCCCCSC(C)CCO 62a_100009893172_100000210670 [1,1,0,0,0,0|1,0,1]=4 1291 B14R0.393 CCCCCCCCNCC(O)COC 2230a_100000756049_100000210759 [1,1,0,0,0,0|2,0,0]=4 1292 B14R0.393 CCCCCCCCNCC(O)COC 34a_100000229939_100011215053 [1,1,0,0,0,0|2,0,0]=4 1293 B14R0.393 CCCCCCCCNCC(O)COC 34a_100000756049_100000210759 [1,1,0,0,0,0|2,0,0]=4 1294 B14R0.393 CCCCCCCCNC[C@@H](O)CC#N 2230a_100000229939_100000001066 [1,1,0,0,0,0|1,0,1]=4 1295 B14R0.393 CCCCCCCCOCC(O)COC 34a_100000210232_100011215053 [1,1,0,0,0,0|2,0,0]=4 1296 B14R0.393 CCCCCCCCOCC(O)COC 7a_100000210232_100011215053 [1,1,0,0,0,0|2,0,0]=4 1297 B14R0.393 CCCCCCCCOC[C@@H](O)CC#N 7a_100000210232_100000001066 [1,1,0,0,0,0|1,0,1]=4 1298 B14R0.393 CCCCCCCCSCC(O)COC 62a_100000210759_100011215053 [1,1,0,0,0,0|2,0,0]=4 1299 B14R0.393 CCCCCCCCSCC(O)COC 62a_100011215053_100000210317 [1,1,0,0,0,0|2,0,0]=4 1300 B14R0.393 CCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210317 [1,1,0,0,0,0|1,0,1]=4 1301 B14R0.393 CCCCCCCCSC[C@@H](O)CC#N 62a_100000210759_100000001066 [1,1,0,0,0,0|1,0,1]=4 1302 B14R0.493 C=CCNC(C)CCCCCCCCC 270004a_100020586998_100011215753 [1,1,0,0,0,0|2,0,0]=4 1303 B14R0.493 C=CCOC(C)CCCCCCCCC 34a_100011218016_100015514636 [1,1,0,0,0,0|2,0,0]=4 1304 B14R0.493 C=CCOC(C)CCCCCCCCC 7a_100011218016_100015514636 [1,1,0,0,0,0|2,0,0]=4 1305 B14R0.493 CCCCCCCCCC(C)NCCO 270004a_100000210304_100011215753 [1,1,0,0,0,0|1,0,1]=4 1306 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [1,1,0,0,0,0|1,0,0]=3 1307 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [1,1,0,0,0,0|1,0,0]=3 1308 B14R0.493 CCCCCCCCCC(C)OCCO 34a_100011218016_100000211926 [1,1,0,0,0,0|1,0,1]=4 1309 B14R0.493 CCCCCCCCCC(C)OCCO 7a_100011218016_100000211926 [1,1,0,0,0,0|1,0,1]=4 1310 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [1,1,0,0,0,0|1,0,1]=4 1311 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [1,1,0,0,0,0|1,0,1]=4 1312 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [1,1,0,0,0,0|2,0,0]=4 1313 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 1314 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 1315 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [1,1,0,0,0,0|2,0,0]=4 1316 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 1317 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [1,1,0,0,0,0|2,0,0]=4 1318 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 1319 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [1,1,0,0,0,0|2,0,0]=4 1320 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [1,1,0,0,0,0|2,0,0]=4 1321 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [1,1,0,0,0,0|2,0,0]=4 1322 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [1,1,0,0,0,0|2,0,0]=4 1323 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [1,1,0,0,0,0|2,0,0]=4 1324 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [1,1,0,0,0,0|2,0,0]=4 1325 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [1,1,0,0,0,0|2,0,0]=4 1326 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [1,1,0,0,0,0|1,0,0]=3 1327 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [1,1,0,0,0,0|1,0,1]=4 1328 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [1,1,0,0,0,0|2,0,0]=4 1329 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [1,1,0,0,0,0|2,0,0]=4 1330 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [1,1,0,0,0,0|2,0,0]=4 1331 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [1,1,0,0,0,0|2,0,0]=4 1332 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [1,1,0,0,0,0|2,0,0]=4 1333 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [1,1,0,0,0,0|2,0,0]=4 1334 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [1,1,0,0,0,0|2,0,0]=4 1335 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [1,1,0,0,0,0|2,0,0]=4 1336 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 1337 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [1,1,0,0,0,0|2,0,0]=4 1338 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 1339 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [1,1,0,0,0,0|2,0,0]=4 1340 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [1,1,0,0,0,0|2,0,0]=4 1341 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [1,1,0,0,0,0|2,0,0]=4 1342 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 1343 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 1344 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [1,1,0,0,0,0|1,0,1]=4 1345 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [1,1,0,0,0,0|2,0,0]=4 1346 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [1,1,0,0,0,0|2,0,0]=4 1347 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [1,1,0,0,0,0|2,0,0]=4 1348 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [1,1,0,0,0,0|2,0,0]=4 1349 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 1350 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 1351 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [1,1,0,0,0,0|2,0,0]=4 1352 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [1,1,0,0,0,0|2,0,0]=4 1353 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [1,1,0,0,0,0|2,0,0]=4 1354 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [1,1,0,0,0,0|2,0,0]=4 1355 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 1356 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 1357 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 1358 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 1359 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 1360 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 1361 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 1362 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 1363 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [1,1,0,0,0,0|1,0,1]=4 1364 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [1,1,0,0,0,0|2,0,0]=4 1365 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [1,1,0,0,0,0|2,0,0]=4 1366 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 1367 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 1368 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [1,1,0,0,0,0|1,0,1]=4 1369 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [1,1,0,0,0,0|2,0,0]=4 1370 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [1,1,0,0,0,0|2,0,0]=4 1371 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 1372 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 1373 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [1,1,0,0,0,0|1,0,1]=4 1374 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [1,1,0,0,0,0|2,0,0]=4 1375 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [1,1,0,0,0,0|2,0,0]=4 1376 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [1,1,0,0,0,0|2,0,0]=4 1377 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 1378 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 1379 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 1380 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 1381 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [1,1,0,0,0,0|1,0,1]=4 1382 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [1,1,0,0,0,0|2,0,0]=4 1383 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [1,1,0,0,0,0|2,0,0]=4 1384 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [1,1,0,0,0,0|2,0,0]=4 1385 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [1,1,0,0,0,0|1,0,1]=4 1386 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [1,1,0,0,0,0|2,0,0]=4 1387 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [1,1,0,0,0,0|2,0,0]=4 1388 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [1,1,0,0,0,0|2,0,0]=4 1389 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [1,1,0,0,0,0|2,0,0]=4 1390 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [1,1,0,0,0,0|2,0,0]=4 1391 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 1392 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 1393 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [1,1,0,0,0,0|2,0,0]=4 1394 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [1,1,0,0,0,0|2,0,0]=4 1395 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 1396 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 1397 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [1,1,0,0,0,0|2,0,0]=4 1398 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [1,1,0,0,0,0|2,0,0]=4 1399 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [1,1,0,0,0,0|2,0,0]=4 1400 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [1,1,0,0,0,0|2,0,0]=4 1401 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [1,1,0,0,0,0|2,0,0]=4 1402 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [1,1,0,0,0,0|1,0,0]=3 1403 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [1,1,0,0,0,0|2,0,0]=4 1404 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [1,1,0,0,0,0|1,0,0]=3 1405 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [1,1,0,0,0,0|2,0,0]=4 1406 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [1,1,0,0,0,0|2,0,0]=4 1407 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [1,1,0,0,0,0|2,0,0]=4 1408 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [1,1,0,0,0,0|0,0,2]=4 1409 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [1,1,0,0,0,0|2,0,0]=4 1410 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [1,1,0,0,0,0|1,0,0]=3 1411 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [1,1,0,0,0,0|1,0,0]=3 1412 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [1,1,0,0,0,0|1,0,0]=3 1413 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [1,1,0,0,0,0|0,0,0]=2 1414 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [1,1,0,0,0,0|1,0,0]=3 1415 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 1416 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 1417 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 1418 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 1419 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 1420 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 1421 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 1422 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 1423 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 1424 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 1425 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 1426 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 1427 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [1,1,0,0,0,0|2,0,0]=4 1428 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 1429 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 1430 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 1431 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 1432 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [1,1,0,0,0,0|2,0,0]=4 1433 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 1434 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [1,1,0,0,0,0|2,0,0]=4 1435 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 1436 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 1437 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 1438 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [1,1,0,0,0,0|2,0,0]=4 1439 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [1,1,0,0,0,0|2,0,0]=4 1440 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 1441 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [1,1,0,0,0,0|2,0,0]=4 1442 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 1443 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 1444 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 1445 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [1,1,0,0,0,0|2,0,0]=4 1446 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [1,1,0,0,0,0|2,0,0]=4 1447 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [1,1,0,0,0,0|1,0,0]=3 1448 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [1,1,0,0,0,0|2,0,0]=4 1449 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 1450 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [1,1,0,0,0,0|2,0,0]=4 1451 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 1452 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [1,1,0,0,0,0|1,0,0]=3 1453 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [1,1,0,0,0,0|1,0,0]=3 1454 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [1,1,0,0,0,0|2,0,0]=4 1455 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [1,1,0,0,0,0|2,0,0]=4 1456 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [1,1,0,0,0,0|2,0,0]=4 1457 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [1,1,0,0,0,0|2,0,0]=4 1458 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [1,1,0,0,0,0|1,0,0]=3 1459 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [1,1,0,0,0,0|1,0,0]=3 1460 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [1,1,0,0,0,0|2,0,0]=4 1461 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [1,1,0,0,0,0|2,0,0]=4 1462 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [1,1,0,0,0,0|1,0,0]=3 1463 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [1,1,0,0,0,0|1,0,0]=3 1464 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [1,1,0,0,0,0|2,0,0]=4 1465 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [1,1,0,0,0,0|2,0,0]=4 1466 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [1,1,0,0,0,0|2,0,0]=4 1467 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [1,1,0,0,0,0|2,0,0]=4 1468 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [1,1,0,0,0,0|1,0,0]=3 1469 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 1470 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 1471 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [1,1,0,0,0,0|2,0,0]=4 1472 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [1,1,0,0,0,0|1,0,0]=3 1473 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [1,1,0,0,0,0|1,0,0]=3 1474 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [1,1,0,0,0,0|2,0,0]=4 1475 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [1,1,0,0,0,0|2,0,0]=4 1476 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [1,1,0,0,0,0|2,0,0]=4 1477 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [1,1,0,0,0,0|2,0,0]=4 1478 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [1,1,0,0,0,0|1,0,0]=3 1479 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [1,1,0,0,0,0|1,0,0]=3 1480 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [1,1,0,0,0,0|1,0,0]=3 1481 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [1,1,0,0,0,0|2,0,0]=4 1482 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 1483 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 1484 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 1485 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 1486 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 1487 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 1488 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 1489 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 1490 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [1,1,0,0,0,0|1,0,0]=3 1491 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [1,1,0,0,0,0|1,0,0]=3 1492 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [1,1,0,0,0,0|2,0,0]=4 1493 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [1,1,0,0,0,0|2,0,0]=4 1494 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [1,1,0,0,0,0|1,0,0]=3 1495 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [1,1,0,0,0,0|2,0,0]=4 1496 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [1,1,0,0,0,0|1,0,0]=3 1497 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 1498 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [1,1,0,0,0,0|1,0,0]=3 1499 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 1500 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [1,1,0,0,0,0|2,0,0]=4 1501 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [1,1,0,0,0,0|2,0,0]=4 1502 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [1,1,0,0,0,0|1,0,0]=3 1503 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [1,1,0,0,0,0|1,0,0]=3 1504 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [1,1,0,0,0,0|1,0,0]=3 1505 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [1,1,0,0,0,0|1,0,0]=3 1506 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [1,1,0,0,0,0|2,0,0]=4 1507 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 1508 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [1,1,0,0,0,0|1,0,0]=3 1509 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 1510 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [1,1,0,0,0,0|1,0,0]=3 1511 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 1512 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 1513 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [1,1,0,0,0,0|2,0,0]=4 1514 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [1,1,0,0,0,0|2,0,0]=4 1515 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [1,1,0,0,0,0|2,0,0]=4 1516 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [1,1,0,0,0,0|2,0,0]=4 1517 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [1,1,0,0,0,0|2,0,0]=4 1518 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [1,1,0,0,0,0|2,0,0]=4 1519 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [1,1,0,0,0,0|2,0,0]=4 1520 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [1,1,0,0,0,0|2,0,0]=4 1521 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [1,1,0,0,0,0|2,0,0]=4 1522 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [1,1,0,0,0,0|2,0,0]=4 1523 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [1,1,0,0,0,0|2,0,0]=4 1524 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [1,1,0,0,0,0|1,0,0]=3 1525 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [1,1,0,0,0,0|1,0,0]=3 1526 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [1,1,0,0,0,0|2,0,0]=4 1527 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [1,1,0,0,0,0|2,0,0]=4 1528 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [1,1,0,0,0,0|2,0,0]=4 1529 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [1,1,0,0,0,0|1,0,0]=3 1530 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 1531 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 1532 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [1,1,0,0,0,0|2,0,0]=4 1533 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [1,1,0,0,0,0|2,0,0]=4 1534 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 1535 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 1536 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 1537 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 1538 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 1539 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 1540 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [1,1,0,0,0,0|2,0,0]=4 1541 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [1,1,0,0,0,0|2,0,0]=4 1542 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [1,1,0,0,0,0|1,0,0]=3 1543 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [1,1,0,0,0,0|1,0,0]=3 1544 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [1,1,0,0,0,0|2,0,0]=4 1545 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 1546 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 1547 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [1,1,0,0,0,0|1,0,0]=3 1548 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 1549 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [1,1,0,0,0,0|1,0,0]=3 1550 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 1551 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 1552 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 1553 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 1554 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 1555 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 1556 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 1557 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [1,1,0,0,0,0|2,0,0]=4 1558 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [1,1,0,0,0,0|2,0,0]=4 1559 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 1560 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 1561 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [1,1,0,0,0,0|2,0,0]=4 1562 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 1563 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [1,1,0,0,0,0|2,0,0]=4 1564 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 1565 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [1,1,0,0,0,0|2,0,0]=4 1566 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [1,1,0,0,0,0|2,0,0]=4 1567 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [1,1,0,0,0,0|2,0,0]=4 1568 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [1,1,0,0,0,0|2,0,0]=4 1569 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [1,1,0,0,0,0|1,0,0]=3 1570 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [1,1,0,0,0,0|1,0,0]=3 1571 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 1572 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 1573 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [1,1,0,0,0,0|2,0,0]=4 1574 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 1575 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 1576 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 1577 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 1578 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [1,1,0,0,0,0|2,0,0]=4 1579 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [1,1,0,0,0,0|2,0,0]=4 1580 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [1,1,0,0,0,0|2,0,0]=4 1581 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 1582 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [1,1,0,0,0,0|1,0,0]=3 1583 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 1584 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [1,1,0,0,0,0|2,0,0]=4 1585 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [1,1,0,0,0,0|2,0,0]=4 1586 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [1,1,0,0,0,0|1,0,0]=3 1587 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [1,1,0,0,0,0|1,0,0]=3 1588 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [1,1,0,0,0,0|2,0,0]=4 1589 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [1,1,0,0,0,0|2,0,0]=4 1590 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [1,1,0,0,0,0|2,0,0]=4 1591 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [1,1,0,0,0,0|2,0,0]=4 1592 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [1,1,0,0,0,0|2,0,0]=4 1593 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [1,1,0,0,0,0|2,0,0]=4 1594 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [1,1,0,0,0,0|2,0,0]=4 1595 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [1,1,0,0,0,0|2,0,0]=4 1596 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [1,1,0,0,0,0|2,0,0]=4 1597 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [1,1,0,0,0,0|2,0,0]=4 1598 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [1,1,0,0,0,0|2,0,0]=4 1599 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [1,1,0,0,0,0|2,0,0]=4 1600 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [1,1,0,0,0,0|2,0,0]=4 1601 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [1,1,0,0,0,0|2,0,0]=4 1602 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [1,1,0,0,0,0|2,0,0]=4 1603 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [1,1,0,0,0,0|2,0,0]=4 1604 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [1,1,0,0,0,0|2,0,0]=4 1605 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [1,1,0,0,0,0|2,0,0]=4 1606 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [1,1,0,0,0,0|2,0,0]=4 1607 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [1,1,0,0,0,0|2,0,0]=4 1608 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [1,1,0,0,0,0|2,0,0]=4 1609 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [1,1,0,0,0,0|2,0,0]=4 1610 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [1,1,0,0,0,0|2,0,0]=4 1611 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [1,1,0,0,0,0|2,0,0]=4 1612 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [1,1,0,0,0,0|2,0,0]=4 1613 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [1,1,0,0,0,0|2,0,0]=4 1614 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [1,1,0,0,0,0|2,0,0]=4 1615 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [1,1,0,0,0,0|2,0,0]=4 1616 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [1,1,0,0,0,0|2,0,0]=4 1617 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [1,1,0,0,0,0|2,0,0]=4 1618 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [1,1,0,0,0,0|2,0,0]=4 1619 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 1620 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 1621 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 1622 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 1623 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [1,1,0,0,0,0|2,0,0]=4 1624 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [1,1,0,0,0,0|2,0,0]=4 1625 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [1,1,0,0,0,0|2,0,0]=4 1626 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [1,1,0,0,0,0|2,0,0]=4 1627 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [1,1,0,0,0,0|2,0,0]=4 1628 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [1,1,0,0,0,0|2,0,0]=4 1629 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 1630 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 1631 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [1,1,0,0,0,0|2,0,0]=4 1632 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [1,1,0,0,0,0|2,0,0]=4 1633 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 1634 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 1635 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [1,1,0,0,0,0|2,0,0]=4 1636 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [1,1,0,0,0,0|2,0,0]=4 1637 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [1,1,0,0,0,0|2,0,0]=4 1638 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [1,1,0,0,0,0|2,0,0]=4 1639 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [1,1,0,0,0,0|2,0,0]=4 1640 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 1641 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [1,1,0,0,0,0|2,0,0]=4 1642 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [1,1,0,0,0,0|2,0,0]=4 1643 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 1644 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 1645 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [1,1,0,0,0,0|2,0,0]=4 1646 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [1,1,0,0,0,0|2,0,0]=4 1647 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 1648 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [1,1,0,0,0,0|2,0,0]=4 1649 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 1650 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 1651 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [1,1,0,0,0,0|2,0,0]=4 1652 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [1,1,0,0,0,0|2,0,0]=4 1653 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 1654 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 1655 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [1,1,0,0,0,0|2,0,0]=4 1656 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [1,1,0,0,0,0|2,0,0]=4 1657 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [1,1,0,0,0,0|2,0,0]=4 1658 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [1,1,0,0,0,0|2,0,0]=4 1659 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 1660 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [1,1,0,0,0,0|2,0,0]=4 1661 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [1,1,0,0,0,0|2,0,0]=4 1662 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 1663 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 1664 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [1,1,0,0,0,0|2,0,0]=4 1665 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [1,1,0,0,0,0|2,0,0]=4 1666 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [1,1,0,0,0,0|2,0,0]=4 1667 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 1668 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [1,1,0,0,0,0|2,0,0]=4 1669 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [1,1,0,0,0,0|2,0,0]=4 1670 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [1,1,0,0,0,0|2,0,0]=4 1671 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [1,1,0,0,0,0|2,0,0]=4 1672 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [1,1,0,0,0,0|2,0,0]=4 1673 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [1,1,0,0,0,0|2,0,0]=4 1674 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [1,1,0,0,0,0|2,0,0]=4 1675 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [1,1,0,0,0,0|2,0,0]=4 1676 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [1,1,0,0,0,0|2,0,0]=4 1677 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [1,1,0,0,0,0|2,0,0]=4 1678 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [1,1,0,0,0,0|2,0,0]=4 1679 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [1,1,0,0,0,0|2,0,0]=4 1680 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [1,1,0,0,0,0|2,0,0]=4 1681 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [1,1,0,0,0,0|2,0,0]=4 1682 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [1,1,0,0,0,0|2,0,0]=4 1683 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [1,1,0,0,0,0|2,0,0]=4 1684 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [1,1,0,0,0,0|2,0,0]=4 1685 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [1,1,0,0,0,0|2,0,0]=4 1686 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [1,1,0,0,0,0|2,0,0]=4 1687 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [1,1,0,0,0,0|2,0,0]=4 1688 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 1689 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 1690 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [1,1,0,0,0,0|2,0,0]=4 1691 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [1,1,0,0,0,0|2,0,0]=4 1692 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 1693 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 1694 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 1695 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 1696 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [1,1,0,0,0,0|2,0,0]=4 1697 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [1,1,0,0,0,0|1,0,0]=3 1698 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [1,1,0,0,0,0|2,0,0]=4 1699 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [1,1,0,0,0,0|2,0,0]=4 1700 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [1,1,0,0,0,0|2,0,0]=4 1701 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [1,1,0,0,0,0|2,0,0]=4 1702 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [1,1,0,0,0,0|2,0,0]=4 1703 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [1,1,0,0,0,0|2,0,0]=4 1704 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [1,1,0,0,0,0|2,0,0]=4 1705 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [1,1,0,0,0,0|2,0,0]=4 1706 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [1,1,0,0,0,0|2,0,0]=4 1707 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [1,1,0,0,0,0|2,0,0]=4 1708 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [1,1,0,0,0,0|2,0,0]=4 1709 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [1,1,0,0,0,0|2,0,0]=4 1710 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 1711 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [1,1,0,0,0,0|2,0,0]=4 1712 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 1713 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [1,1,0,0,0,0|2,0,0]=4 1714 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [1,1,0,0,0,0|2,0,0]=4 1715 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [1,1,0,0,0,0|2,0,0]=4 1716 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [1,1,0,0,0,0|2,0,0]=4 1717 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [1,1,0,0,0,0|2,0,0]=4 1718 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [1,1,0,0,0,0|2,0,0]=4 1719 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [1,1,0,0,0,0|2,0,0]=4 1720 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [1,1,0,0,0,0|2,0,0]=4 1721 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [1,1,0,0,0,0|2,0,0]=4 1722 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [1,1,0,0,0,0|2,0,0]=4 1723 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [1,1,0,0,0,0|1,0,0]=3 1724 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [1,1,0,0,0,0|2,0,0]=4 1725 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [1,1,0,0,0,0|2,0,0]=4 1726 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 1727 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 1728 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 1729 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [1,1,0,0,0,0|2,0,0]=4 1730 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [1,1,0,0,0,0|2,0,0]=4 1731 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 1732 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 1733 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 1734 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 1735 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [1,1,0,0,0,0|1,0,1]=4 1736 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [1,1,0,0,0,0|1,0,0]=3 1737 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 1738 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 1739 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [1,1,0,0,0,0|2,0,0]=4 1740 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [1,1,0,0,0,0|2,0,0]=4 1741 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 1742 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 1743 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 1744 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 1745 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [1,1,0,0,0,0|1,0,1]=4 1746 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [1,1,0,0,0,0|1,0,1]=4 1747 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [1,1,0,0,0,0|2,0,0]=4 1748 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [1,1,0,0,0,0|2,0,0]=4 1749 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [1,1,0,0,0,0|2,0,0]=4 1750 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [1,1,0,0,0,0|2,0,0]=4 1751 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [1,1,0,0,0,0|2,0,0]=4 1752 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [1,1,0,0,0,0|1,0,1]=4 1753 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [1,1,0,0,0,0|1,0,0]=3 1754 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [1,1,0,0,0,0|1,0,0]=3 1755 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 1756 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 1757 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [1,1,0,0,0,0|2,0,0]=4 1758 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [1,1,0,0,0,0|2,0,0]=4 1759 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [1,1,0,0,0,0|2,0,0]=4 1760 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [1,1,0,0,0,0|2,0,0]=4 1761 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [1,1,0,0,0,0|2,0,0]=4 1762 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [1,1,0,0,0,0|1,0,1]=4 1763 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 1764 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 1765 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [1,1,0,0,0,0|1,0,1]=4 1766 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [1,1,0,0,0,0|2,0,0]=4 1767 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 1768 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [1,1,0,0,0,0|2,0,0]=4 1769 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 1770 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [1,1,0,0,0,0|2,0,0]=4 1771 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [1,1,0,0,0,0|2,0,0]=4 1772 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [1,1,0,0,0,0|2,0,0]=4 1773 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [1,1,0,0,0,0|2,0,0]=4 1774 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [1,1,0,0,0,0|2,0,0]=4 1775 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [1,1,0,0,0,0|2,0,0]=4 1776 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [1,1,0,0,0,0|2,0,0]=4 1777 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [1,1,0,0,0,0|2,0,0]=4 1778 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [1,1,0,0,0,0|2,0,0]=4 1779 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [1,1,0,0,0,0|2,0,0]=4 1780 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [1,1,0,0,0,0|2,0,0]=4 1781 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [1,1,0,0,0,0|2,0,0]=4 1782 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [1,1,0,0,0,0|2,0,0]=4 1783 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [1,1,0,0,0,0|2,0,0]=4 1784 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [1,1,0,0,0,0|2,0,0]=4 1785 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [1,1,0,0,0,0|1,0,1]=4 1786 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [1,1,0,0,0,0|0,0,2]=4 1787 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [1,1,0,0,0,0|1,0,0]=3 1788 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [1,1,0,0,0,0|2,0,0]=4 1789 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [1,1,0,0,0,0|2,0,0]=4 1790 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [1,1,0,0,0,0|2,0,0]=4 1791 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [1,1,0,0,0,0|2,0,0]=4 1792 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [1,1,0,0,0,0|2,0,0]=4 1793 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [1,1,0,0,0,0|2,0,0]=4 1794 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [1,1,0,0,0,0|2,0,0]=4 1795 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [1,1,0,0,0,0|2,0,0]=4 1796 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [1,1,0,0,0,0|2,0,0]=4 1797 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [1,1,0,0,0,0|2,0,0]=4 1798 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [1,1,0,0,0,0|2,0,0]=4 1799 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [1,1,0,0,0,0|2,0,0]=4 1800 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [1,1,0,0,0,0|2,0,0]=4 1801 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [1,1,0,0,0,0|2,0,0]=4 1802 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [1,1,0,0,0,0|2,0,0]=4 1803 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [1,1,0,0,0,0|2,0,0]=4 1804 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [1,1,0,0,0,0|2,0,0]=4 1805 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [1,1,0,0,0,0|2,0,0]=4 1806 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [1,1,0,0,0,0|2,0,0]=4 1807 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [1,1,0,0,0,0|2,0,0]=4 1808 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [1,1,0,0,0,0|2,0,0]=4 1809 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [1,1,0,0,0,0|2,0,0]=4 1810 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [1,1,0,0,0,0|2,0,0]=4 1811 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [1,1,0,0,0,0|2,0,0]=4 1812 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [1,1,0,0,0,0|2,0,0]=4 1813 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [1,1,0,0,0,0|2,0,0]=4 1814 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [1,1,0,0,0,0|2,0,0]=4 1815 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [1,1,0,0,0,0|2,0,0]=4 1816 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [1,1,0,0,0,0|0,0,2]=4 1817 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [1,1,0,0,0,0|1,0,1]=4 1818 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [1,1,0,0,0,0|1,0,0]=3 1819 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [1,1,0,0,0,0|1,0,0]=3 1820 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [1,1,0,0,0,0|1,0,0]=3 1821 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [1,1,0,0,0,0|1,0,0]=3 1822 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [1,1,0,0,0,0|1,0,0]=3 1823 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [1,1,0,0,0,0|1,0,0]=3 1824 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [1,1,0,0,0,0|1,0,0]=3 1825 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [1,1,0,0,0,0|1,0,0]=3 1826 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [1,1,0,0,0,0|1,0,0]=3 1827 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [1,1,0,0,0,0|1,0,0]=3 1828 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [1,1,0,0,0,0|0,0,0]=2 1829 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [1,1,0,0,0,0|0,0,1]=3 1830 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [1,1,0,0,0,0|1,0,1]=4 1831 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [1,1,0,0,0,0|1,0,1]=4 1832 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [1,1,0,0,0,0|1,0,1]=4 1833 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [1,1,0,0,0,0|1,0,1]=4 1834 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [1,1,0,0,0,0|1,0,1]=4 1835 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [1,1,0,0,0,0|1,0,1]=4 1836 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [1,1,0,0,0,0|1,0,1]=4 1837 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [1,1,0,0,0,0|1,0,0]=3 1838 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [1,1,0,0,0,0|1,0,0]=3 1839 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [1,1,0,0,0,0|1,0,0]=3 1840 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [1,1,0,0,0,0|0,0,1]=3 1841 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [1,1,0,0,0,0|1,0,1]=4 1842 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [1,1,0,0,0,0|1,0,1]=4 1843 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [1,1,0,0,0,0|1,0,1]=4 1844 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [1,1,0,0,0,0|1,0,1]=4 1845 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [1,1,0,0,0,0|1,0,1]=4 1846 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [1,1,0,0,0,0|1,0,0]=3 1847 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [1,1,0,0,0,0|0,0,1]=3 1848 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [1,1,0,0,0,0|1,0,1]=4 1849 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [1,1,0,0,0,0|1,0,1]=4 1850 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [1,1,0,0,0,0|1,0,0]=3 1851 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [1,1,0,0,0,0|1,0,0]=3 1852 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [1,1,0,0,0,0|1,0,1]=4 1853 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [1,1,0,0,0,0|1,0,1]=4 1854 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [1,1,0,0,0,0|1,0,1]=4 1855 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [1,1,0,0,0,0|2,0,0]=4 1856 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [1,1,0,0,0,0|1,0,0]=3 1857 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [1,1,0,0,0,0|1,0,0]=3 1858 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [1,1,0,0,0,0|1,0,0]=3 1859 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [1,1,0,0,0,0|1,0,0]=3 1860 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [1,1,0,0,0,0|1,0,0]=3 1861 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [1,1,0,0,0,0|1,0,0]=3 1862 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [1,1,0,0,0,0|1,0,0]=3 1863 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [1,1,0,0,0,0|1,0,0]=3 1864 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [1,1,0,0,0,0|1,0,1]=4 1865 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [1,1,0,0,0,0|1,0,1]=4 1866 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [1,1,0,0,0,0|2,0,0]=4 1867 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [1,1,0,0,0,0|1,0,0]=3 1868 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [1,1,0,0,0,0|1,0,0]=3 1869 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [1,1,0,0,0,0|1,0,1]=4 1870 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [1,1,0,0,0,0|2,0,0]=4 1871 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [1,1,0,0,0,0|1,0,0]=3 1872 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [1,1,0,0,0,0|1,0,0]=3 1873 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [1,1,0,0,0,0|1,0,0]=3 1874 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [1,1,0,0,0,0|1,0,1]=4 1875 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [1,1,0,0,0,0|1,0,1]=4 1876 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [1,1,0,0,0,0|2,0,0]=4 1877 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [1,1,0,0,0,0|2,0,0]=4 1878 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [1,1,0,0,0,0|2,0,0]=4 1879 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [1,1,0,0,0,0|2,0,0]=4 1880 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [1,1,0,0,0,0|2,0,0]=4 1881 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [1,1,0,0,0,0|2,0,0]=4 1882 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [1,1,0,0,0,0|2,0,0]=4 1883 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [1,1,0,0,0,0|1,0,0]=3 1884 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [1,1,0,0,0,0|1,0,0]=3 1885 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [1,1,0,0,0,0|1,0,0]=3 1886 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [1,1,0,0,0,0|1,0,0]=3 1887 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [1,1,0,0,0,0|1,0,0]=3 1888 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [1,1,0,0,0,0|1,0,0]=3 1889 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [1,1,0,0,0,0|1,0,1]=4 1890 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [1,1,0,0,0,0|1,0,1]=4 1891 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [1,1,0,0,0,0|1,0,1]=4 1892 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [1,1,0,0,0,0|2,0,0]=4 1893 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [1,1,0,0,0,0|2,0,0]=4 1894 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [1,1,0,0,0,0|2,0,0]=4 1895 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [1,1,0,0,0,0|2,0,0]=4 1896 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [1,1,0,0,0,0|2,0,0]=4 1897 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [1,1,0,0,0,0|2,0,0]=4 1898 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [1,1,0,0,0,0|2,0,0]=4 1899 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [1,1,0,0,0,0|2,0,0]=4 1900 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [1,1,0,0,0,0|2,0,0]=4 1901 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [1,1,0,0,0,0|1,0,0]=3 1902 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [1,1,0,0,0,0|1,0,0]=3 1903 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [1,1,0,0,0,0|1,0,0]=3 1904 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [1,1,0,0,0,0|1,0,0]=3 1905 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [1,1,0,0,0,0|1,0,1]=4 1906 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [1,1,0,0,0,0|1,0,1]=4 1907 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [1,1,0,0,0,0|2,0,0]=4 1908 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [1,1,0,0,0,0|2,0,0]=4 1909 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [1,1,0,0,0,0|2,0,0]=4 1910 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [1,1,0,0,0,0|2,0,0]=4 1911 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [1,1,0,0,0,0|2,0,0]=4 1912 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [1,1,0,0,0,0|2,0,0]=4 1913 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [1,1,0,0,0,0|2,0,0]=4 1914 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [1,1,0,0,0,0|2,0,0]=4 1915 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [1,1,0,0,0,0|1,0,1]=4 1916 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [1,1,0,0,0,0|1,0,0]=3 1917 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [1,1,0,0,0,0|2,0,0]=4 1918 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [1,1,0,0,0,0|2,0,0]=4 1919 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [1,1,0,0,0,0|2,0,0]=4 1920 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [1,1,0,0,0,0|1,0,0]=3 1921 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [1,1,0,0,0,0|1,0,1]=4 1922 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [1,1,0,0,0,0|1,0,1]=4 1923 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [1,1,0,0,0,0|1,0,0]=3 1924 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [1,1,0,0,0,0|1,0,0]=3 1925 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [1,1,0,0,0,0|1,0,0]=3 1926 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [1,1,0,0,0,0|1,0,0]=3 1927 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [1,1,0,0,0,0|1,0,1]=4 1928 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [1,1,0,0,0,0|1,0,1]=4 1929 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [1,1,0,0,0,0|2,0,0]=4 1930 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [1,1,0,0,0,0|2,0,0]=4 1931 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [1,1,0,0,0,0|2,0,0]=4 1932 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [1,1,0,0,0,0|2,0,0]=4 1933 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [1,1,0,0,0,0|2,0,0]=4 1934 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [1,1,0,0,0,0|2,0,0]=4 1935 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [1,1,0,0,0,0|2,0,0]=4 1936 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [1,1,0,0,0,0|1,0,1]=4 1937 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [1,1,0,0,0,0|1,0,1]=4 1938 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [1,1,0,0,0,0|1,0,0]=3 1939 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [1,1,0,0,0,0|1,0,0]=3 1940 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [1,1,0,0,0,0|2,0,0]=4 1941 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [1,1,0,0,0,0|2,0,0]=4 1942 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [1,1,0,0,0,0|2,0,0]=4 1943 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [1,1,0,0,0,0|2,0,0]=4 1944 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [1,1,0,0,0,0|2,0,0]=4 1945 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [1,1,0,0,0,0|2,0,0]=4 1946 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [1,1,0,0,0,0|1,0,1]=4 1947 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [1,1,0,0,0,0|1,0,0]=3 1948 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [1,1,0,0,0,0|2,0,0]=4 1949 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [1,1,0,0,0,0|2,0,0]=4 1950 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [1,1,0,0,0,0|2,0,0]=4 1951 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [1,1,0,0,0,0|1,0,1]=4 1952 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [1,1,0,0,0,0|1,0,1]=4 1953 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [1,1,0,0,0,0|1,0,0]=3 1954 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [1,1,0,0,0,0|1,0,0]=3 1955 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [1,1,0,0,0,0|1,0,0]=3 1956 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [1,1,0,0,0,0|1,0,0]=3 1957 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [1,1,0,0,0,0|0,0,1]=3 1958 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [1,1,0,0,0,0|2,0,0]=4 1959 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [1,1,0,0,0,0|2,0,0]=4 1960 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [1,1,0,0,0,0|2,0,0]=4 1961 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [1,1,0,0,0,0|2,0,0]=4 1962 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [1,1,0,0,0,0|2,0,0]=4 1963 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [1,1,0,0,0,0|2,0,0]=4 1964 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [1,1,0,0,0,0|2,0,0]=4 1965 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [1,1,0,0,0,0|2,0,0]=4 1966 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [1,1,0,0,0,0|2,0,0]=4 1967 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [1,1,0,0,0,0|1,0,1]=4 1968 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [1,1,0,0,0,0|1,0,1]=4 1969 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [1,1,0,0,0,0|1,0,0]=3 1970 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [1,1,0,0,0,0|1,0,0]=3 1971 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [1,1,0,0,0,0|2,0,0]=4 1972 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [1,1,0,0,0,0|2,0,0]=4 1973 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [1,1,0,0,0,0|2,0,0]=4 1974 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [1,1,0,0,0,0|2,0,0]=4 1975 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [1,1,0,0,0,0|1,0,1]=4 1976 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [1,1,0,0,0,0|2,0,0]=4 1977 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [1,1,0,0,0,0|2,0,0]=4 1978 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [1,1,0,0,0,0|2,0,0]=4 1979 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [1,1,0,0,0,0|2,0,0]=4 1980 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [1,1,0,0,0,0|2,0,0]=4 1981 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [1,1,0,0,0,0|1,0,1]=4 1982 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [1,1,0,0,0,0|1,0,1]=4 1983 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [1,1,0,0,0,0|2,0,0]=4 1984 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [1,1,0,0,0,0|2,0,0]=4 1985 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [1,1,0,0,0,0|2,0,0]=4 1986 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [1,1,0,0,0,0|2,0,0]=4 1987 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [1,1,0,0,0,0|2,0,0]=4 1988 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [1,1,0,0,0,0|2,0,0]=4 1989 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [1,1,0,0,0,0|1,0,1]=4 1990 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [1,1,0,0,0,0|1,0,1]=4 1991 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [1,1,0,0,0,0|2,0,0]=4 1992 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [1,1,0,0,0,0|2,0,0]=4 1993 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [1,1,0,0,0,0|2,0,0]=4 1994 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [1,1,0,0,0,0|2,0,0]=4 1995 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [1,1,0,0,0,0|2,0,0]=4 1996 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [1,1,0,0,0,0|2,0,0]=4 1997 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [1,1,0,0,0,0|2,0,0]=4 1998 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [1,1,0,0,0,0|2,0,0]=4 1999 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [1,1,0,0,0,0|2,0,0]=4 2000 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [1,1,0,0,0,0|2,0,0]=4 2001 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [1,1,0,0,0,0|2,0,0]=4 2002 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [1,1,0,0,0,0|2,0,0]=4 2003 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [1,1,0,0,0,0|2,0,0]=4 2004 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [1,1,0,0,0,0|2,0,0]=4 2005 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [1,1,0,0,0,0|2,0,0]=4 2006 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [1,1,0,0,0,0|2,0,0]=4 2007 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [1,1,0,0,0,0|2,0,0]=4 2008 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [1,1,0,0,0,0|2,0,0]=4 2009 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [1,1,0,0,0,0|2,0,0]=4 2010 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [1,1,0,0,0,0|2,0,0]=4 2011 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [1,1,0,0,0,0|2,0,0]=4 2012 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [1,1,0,0,0,0|2,0,0]=4 2013 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [1,1,0,0,0,0|2,0,0]=4 2014 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [1,1,0,0,0,0|2,0,0]=4 2015 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [1,1,0,0,0,0|2,0,0]=4 2016 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [1,1,0,0,0,0|2,0,0]=4 2017 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [1,1,0,0,0,0|2,0,0]=4 2018 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [1,1,0,0,0,0|2,0,0]=4 2019 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [1,1,0,0,0,0|2,0,0]=4 2020 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [1,1,0,0,0,0|2,0,0]=4 2021 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [1,1,0,0,0,0|2,0,0]=4 2022 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [1,1,0,0,0,0|2,0,0]=4 2023 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [1,1,0,0,0,0|2,0,0]=4 2024 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [1,1,0,0,0,0|2,0,0]=4 2025 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [1,1,0,0,0,0|2,0,0]=4 2026 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [1,1,0,0,0,0|1,0,1]=4 2027 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [1,1,0,0,0,0|2,0,0]=4 2028 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [1,1,0,0,0,0|2,0,0]=4 2029 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [1,1,0,0,0,0|2,0,0]=4 2030 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [1,1,0,0,0,0|2,0,0]=4 2031 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [1,1,0,0,0,0|2,0,0]=4 2032 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [1,1,0,0,0,0|2,0,0]=4 2033 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [1,1,0,0,0,0|2,0,0]=4 2034 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [1,1,0,0,0,0|2,0,0]=4 2035 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [1,1,0,0,0,0|2,0,0]=4 2036 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [1,1,0,0,0,0|2,0,0]=4 2037 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [1,1,0,0,0,0|2,0,0]=4 2038 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [1,1,0,0,0,0|1,0,1]=4 2039 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [1,1,0,0,0,0|2,0,0]=4 2040 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [1,1,0,0,0,0|2,0,0]=4 2041 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [1,1,0,0,0,0|2,0,0]=4 2042 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [1,1,0,0,0,0|2,0,0]=4 2043 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [1,1,0,0,0,0|1,0,0]=3 2044 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [1,1,0,0,0,0|1,0,0]=3 2045 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [1,1,0,0,0,0|1,0,0]=3 2046 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [1,1,0,0,0,0|2,0,0]=4 2047 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [1,1,0,0,0,0|1,0,0]=3 2048 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [1,1,0,0,0,0|2,0,0]=4 2049 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [1,1,0,0,0,0|2,0,0]=4 2050 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [1,1,0,0,0,0|2,0,0]=4 2051 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [1,1,0,0,0,0|2,0,0]=4 2052 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [1,1,0,0,0,0|2,0,0]=4 2053 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [1,1,0,0,0,0|2,0,0]=4 2054 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [1,1,0,0,0,0|2,0,0]=4 2055 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [1,1,0,0,0,0|2,0,0]=4 2056 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [1,1,0,0,0,0|2,0,0]=4 2057 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [1,1,0,0,0,0|2,0,0]=4 2058 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [1,1,0,0,0,0|2,0,0]=4 2059 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [1,1,0,0,0,0|2,0,0]=4 2060 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [1,1,0,0,0,0|2,0,0]=4 2061 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [1,1,0,0,0,0|2,0,0]=4 2062 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [1,1,0,0,0,0|2,0,0]=4 2063 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [1,1,0,0,0,0|1,0,1]=4 2064 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [1,1,0,0,0,0|2,0,0]=4 2065 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [1,1,0,0,0,0|2,0,0]=4 2066 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [1,1,0,0,0,0|1,0,0]=3 2067 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [1,1,0,0,0,0|1,0,0]=3 2068 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [1,1,0,0,0,0|2,0,0]=4 2069 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [1,1,0,0,0,0|2,0,0]=4 2070 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [1,1,0,0,0,0|2,0,0]=4 2071 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [1,1,0,0,0,0|2,0,0]=4 2072 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [1,1,0,0,0,0|2,0,0]=4 2073 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [1,1,0,0,0,0|2,0,0]=4 2074 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [1,1,0,0,0,0|2,0,0]=4 2075 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [1,1,0,0,0,0|2,0,0]=4 2076 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [1,1,0,0,0,0|2,0,0]=4 2077 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [1,1,0,0,0,0|2,0,0]=4 2078 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [1,1,0,0,0,0|2,0,0]=4 2079 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [1,1,0,0,0,0|2,0,0]=4 2080 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [1,1,0,0,0,0|2,0,0]=4 2081 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [1,1,0,0,0,0|2,0,0]=4 2082 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [1,1,0,0,0,0|2,0,0]=4 2083 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [1,1,0,0,0,0|2,0,0]=4 2084 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [1,1,0,0,0,0|2,0,0]=4 2085 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [1,1,0,0,0,0|2,0,0]=4 2086 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [1,1,0,0,0,0|2,0,0]=4 2087 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [1,1,0,0,0,0|2,0,0]=4 2088 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [1,1,0,0,0,0|2,0,0]=4 2089 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [1,1,0,0,0,0|2,0,0]=4 2090 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [1,1,0,0,0,0|2,0,0]=4 2091 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [1,1,0,0,0,0|2,0,0]=4 2092 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [1,1,0,0,0,0|2,0,0]=4 2093 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [1,1,0,0,0,0|2,0,0]=4 2094 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [1,1,0,0,0,0|2,0,0]=4 2095 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [1,1,0,0,0,0|2,0,0]=4 2096 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [1,1,0,0,0,0|2,0,0]=4 2097 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [1,1,0,0,0,0|2,0,0]=4 2098 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [1,1,0,0,0,0|2,0,0]=4 2099 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [1,1,0,0,0,0|2,0,0]=4 2100 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [1,1,0,0,0,0|2,0,0]=4 2101 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [1,1,0,0,0,0|2,0,0]=4 2102 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [1,1,0,0,0,0|2,0,0]=4 2103 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [1,1,0,0,0,0|2,0,0]=4 2104 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [1,1,0,0,0,0|2,0,0]=4 2105 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [1,1,0,0,0,0|2,0,0]=4 2106 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [1,1,0,0,0,0|2,0,0]=4 2107 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [1,1,0,0,0,0|2,0,0]=4 2108 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [1,1,0,0,0,0|2,0,0]=4 2109 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [1,1,0,0,0,0|2,0,0]=4 2110 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [1,1,0,0,0,0|2,0,0]=4 2111 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [1,1,0,0,0,0|2,0,0]=4 2112 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [1,1,0,0,0,0|2,0,0]=4 2113 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [1,1,0,0,0,0|2,0,0]=4 2114 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [1,1,0,0,0,0|2,0,0]=4 2115 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [1,1,0,0,0,0|2,0,0]=4 2116 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [1,1,0,0,0,0|2,0,0]=4 2117 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [1,1,0,0,0,0|2,0,0]=4 2118 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [1,1,0,0,0,0|1,0,1]=4 2119 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [1,1,0,0,0,0|2,0,0]=4 2120 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [1,1,0,0,0,0|2,0,0]=4 2121 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [1,1,0,0,0,0|2,0,0]=4 2122 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [1,1,0,0,0,0|1,0,0]=3 2123 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [1,1,0,0,0,0|2,0,0]=4 2124 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [1,1,0,0,0,0|2,0,0]=4 2125 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [1,1,0,0,0,0|2,0,0]=4 2126 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [1,1,0,0,0,0|1,0,1]=4 2127 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [1,1,0,0,0,0|1,0,1]=4 2128 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [1,1,0,0,0,0|1,0,1]=4 2129 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [1,1,0,0,0,0|1,0,1]=4 2130 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [1,1,0,0,0,0|1,0,1]=4 2131 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [1,1,0,0,0,0|1,0,1]=4 2132 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [1,1,0,0,0,0|1,0,1]=4 2133 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [1,1,0,0,0,0|1,0,0]=3 2134 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [1,1,0,0,0,0|1,0,0]=3 2135 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [1,1,0,0,0,0|1,0,1]=4 2136 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 2137 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 2138 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [1,1,0,0,0,0|1,0,1]=4 2139 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [1,1,0,0,0,0|2,0,0]=4 2140 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [1,1,0,0,0,0|2,0,0]=4 2141 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [1,1,0,0,0,0|2,0,0]=4 2142 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [1,1,0,0,0,0|2,0,0]=4 2143 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 2144 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [1,1,0,0,0,0|2,0,0]=4 2145 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 2146 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 2147 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 2148 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [1,1,0,0,0,0|2,0,0]=4 2149 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [1,1,0,0,0,0|2,0,0]=4 2150 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [1,1,0,0,0,0|2,0,0]=4 2151 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [1,1,0,0,0,0|2,0,0]=4 2152 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [1,1,0,0,0,0|2,0,0]=4 2153 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000210188_100000747449 [1,1,0,0,0,0|0,0,2]=4 2154 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210759 [1,1,0,0,0,0|0,0,2]=4 2155 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210759 [1,1,0,0,0,0|2,0,0]=4 2156 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000207567_100000747449 [1,1,0,0,0,0|2,0,0]=4 2157 B14R0.82 CCCCCCCCN(C)CC(=O)OC 269982a_100000207567_100000747449 [1,1,0,0,0,0|2,0,0]=4 2158 B14R0.82 CCCCCCCNC(C)CC(=O)OC 2230a_100000229938_100009817358 [1,1,0,0,0,0|2,0,0]=4 2159 B14R0.82 CCCCCCCOC(C)CC(=O)OC 34a_100000210272_100009817358 [1,1,0,0,0,0|2,0,0]=4 2160 B14R0.82 CCCCCCCOC(C)CC(=O)OC 7a_100000210272_100009817358 [1,1,0,0,0,0|2,0,0]=4 2161 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100000210614_100009817358 [1,1,0,0,0,0|2,0,0]=4 2162 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210316 [1,1,0,0,0,0|2,0,0]=4 2163 B14R0.82 CCCCCCOC[C@H](O)CC(=O)OC 34a_100000210259_100000754131 [1,1,0,0,0,0|1,0,0]=3 2164 B14R0.82 CCCCCCOC[C@H](O)CC(=O)OC 7a_100000210259_100000754131 [1,1,0,0,0,0|1,0,0]=3 2165 B14R0.82 CCCCCCSC[C@H](O)CC(=O)OC 62a_100000210314_100000754131 [1,1,0,0,0,0|1,0,0]=3 2166 B14R0.82 CCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210757 [1,1,0,0,0,0|1,0,0]=3 2167 B14R0.82 CCCCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100011995733 [1,1,0,0,0,0|2,0,0]=4 2168 B14R0.82 CCCCOCSC[C@H](O)CC(=O)OC 62a_100011995733_100000754131 [1,1,0,0,0,0|2,0,0]=4 2169 B14R0.82 CCCOCCNC[C@H](O)CC(=O)OC 34a_100161115042_100000754131 [1,1,0,0,0,0|2,0,0]=4 2170 B14R0.82 CCCOCCOC[C@H](O)CC(=O)OC 34a_100000752267_100000754131 [1,1,0,0,0,0|2,0,0]=4 2171 B14R0.82 CCCOCCOC[C@H](O)CC(=O)OC 7a_100000752267_100000754131 [1,1,0,0,0,0|2,0,0]=4 2172 B14R0.82 CCCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215938 [1,1,0,0,0,0|2,0,0]=4 2173 B14R0.82 CCCOCCSC[C@H](O)CC(=O)OC 62a_100011215938_100000754131 [1,1,0,0,0,0|2,0,0]=4 2174 B14R0.82 CCCSCCOC[C@H](O)CC(=O)OC 34a_200000230433_100000754131 [1,1,0,0,0,0|2,0,0]=4 2175 B14R0.82 CCCSCCOC[C@H](O)CC(=O)OC 7a_200000230433_100000754131 [1,1,0,0,0,0|2,0,0]=4 2176 B14R0.82 CCOCCCNC[C@H](O)CC(=O)OC 34a_100000210961_100000754131 [1,1,0,0,0,0|2,0,0]=4 2177 B14R0.82 CCOCCCOC[C@H](O)CC(=O)OC 34a_100000757476_100000754131 [1,1,0,0,0,0|2,0,0]=4 2178 B14R0.82 CCOCCCOC[C@H](O)CC(=O)OC 7a_100000757476_100000754131 [1,1,0,0,0,0|2,0,0]=4 2179 B14R0.82 CCOCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100012232248 [1,1,0,0,0,0|2,0,0]=4 2180 B14R0.82 CCOCCCSC[C@H](O)CC(=O)OC 62a_100012232248_100000754131 [1,1,0,0,0,0|2,0,0]=4 2181 B14R0.82 CCSCCCOC[C@H](O)CC(=O)OC 34a_100011216438_100000754131 [1,1,0,0,0,0|2,0,0]=4 2182 B14R0.82 CCSCCCOC[C@H](O)CC(=O)OC 7a_100011216438_100000754131 [1,1,0,0,0,0|2,0,0]=4 2183 B14R0.82 COC(=O)C[C@@H](O)CNCCCCCO 34a_100000762737_100000754131 [1,1,0,0,0,0|2,0,0]=4 2184 B14R0.82 COC(=O)C[C@@H](O)COCCCCCBr 34a_100000746331_100000754131 [1,1,0,0,0,0|2,0,0]=4 2185 B14R0.82 COC(=O)C[C@@H](O)COCCCCCBr 7a_100000746331_100000754131 [1,1,0,0,0,0|2,0,0]=4 2186 B14R0.82 COC(=O)C[C@@H](O)COCCCCCCl 34a_100000746330_100000754131 [1,1,0,0,0,0|2,0,0]=4 2187 B14R0.82 COC(=O)C[C@@H](O)COCCCCCCl 7a_100000746330_100000754131 [1,1,0,0,0,0|2,0,0]=4 2188 B14R0.82 COC(=O)C[C@@H](O)COCCCCCI 34a_200012148887_100000754131 [1,1,0,0,0,0|2,0,0]=4 2189 B14R0.82 COC(=O)C[C@@H](O)COCCCCCI 7a_200012148887_100000754131 [1,1,0,0,0,0|2,0,0]=4 2190 B14R0.82 COC(=O)C[C@@H](O)COCCCCCN 34a_100000762737_100000754131 [1,1,0,0,0,0|2,0,0]=4 2191 B14R0.82 COC(=O)C[C@@H](O)COCCCCSC 34a_100011217163_100000754131 [1,1,0,0,0,0|2,0,0]=4 2192 B14R0.82 COC(=O)C[C@@H](O)COCCCCSC 7a_100011217163_100000754131 [1,1,0,0,0,0|2,0,0]=4 2193 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCF 62a_100000729378_100000754131 [1,1,0,0,0,0|2,0,0]=4 2194 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCF 62a_100000754131_100000729378 [1,1,0,0,0,0|2,0,0]=4 2195 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCO 62a_100000746330_100000754131 [1,1,0,0,0,0|2,0,0]=4 2196 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCO 62a_100000754131_100000746330 [1,1,0,0,0,0|2,0,0]=4 2197 B14R0.82 COCCCCOC[C@H](O)CC(=O)OC 34a_100000740925_100000754131 [1,1,0,0,0,0|2,0,0]=4 2198 B14R0.82 COCCCCSC[C@H](O)CC(=O)OC 62a_100000730899_100000754131 [1,1,0,0,0,0|2,0,0]=4 2199 B14R0.82 COCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000730899 [1,1,0,0,0,0|2,0,0]=4 2200 B14R0.138 CCCCCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011218727 [1,1,0,0,0,0|2,0,0]=4 2201 B14R0.178 CCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210759 [1,1,0,0,0,0|2,0,0]=4 2202 B14R0.227 CCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218191 [1,1,0,0,0,0|1,0,0]=3 2203 B14R0.309 CCN(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100015186262 [1,1,0,0,0,0|2,0,0]=4 2204 B14R0.427 CC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000735457 [1,1,0,0,0,0|1,0,1]=4 2205 B14R0.427 CC(C)CCCCNCC(O)CC(=O)O 269956a_100011218706_100011216152 [1,1,0,0,0,0|1,0,0]=3 2206 B14R0.427 CN(C)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000690147 [1,1,0,0,0,0|2,0,0]=4 2207 B14R0.489 CCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210759 [1,1,0,0,0,0|2,0,0]=4 2208 B14R0.489 CCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210759 [1,1,0,0,0,0|1,0,1]=4 2209 B14R0.489 CCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210614 [1,1,0,0,0,0|2,0,0]=4 2210 B14R0.489 CCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210614 [1,1,0,0,0,0|1,0,0]=3 2211 B14R0.489 CCCCOCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000743108 [1,1,0,0,0,0|2,0,0]=4 2212 B14R0.489 O=C(O)C[C@@H](CO)NCCCCCCF 269956a_100009816507_100015922095 [1,1,0,0,0,0|2,0,0]=4 2213 B14R0.489 O=C(O)C[C@@H](CO)NCCCCCCO 269956a_100009816507_100000766143 [1,1,0,0,0,0|2,0,0]=4 2214 B14R0.2523 CCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210614 [1,1,0,0,0,0|2,0,0]=4 2215 B14R0.92 CCCCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011218727 [0,1,0,0,1,0|2,0,0]=4 2216 B14R0.180 CCCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_100011215978 [0,1,0,0,1,0|2,0,0]=4 2217 B14R0.180 CCCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_100011215978 [0,1,0,0,1,0|2,0,0]=4 2218 B14R0.488 C=C[C@H](NCCCCCCCC)C(=O)O 269956a_100016992060_100000210759 [0,1,0,0,1,0|2,0,0]=4 2219 B14R0.488 CCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210759 [0,1,0,0,1,0|1,0,0]=3 2220 B14R0.488 CCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210759 [0,1,0,0,1,0|2,0,0]=4 2221 B14R0.488 CCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210759 [0,1,0,0,1,0|2,0,0]=4 2222 B14R0.488 CCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210759 [0,1,0,0,1,0|2,0,0]=4 2223 B14R0.488 COCCCCCCNC(CO)C(=O)O 269956a_100000187304_100011998445 [0,1,0,0,1,0|2,0,0]=4 2224 B14R0.488 O=C(O)C(CO)NCCCCCCCO 269956a_100000187304_100000760002 [0,1,0,0,1,0|2,0,0]=4 2225 B14R0.549 CC(C)CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210682 [0,1,0,0,1,0|2,0,0]=4 2226 B14R0.549 CC(C)CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210682 [0,1,0,0,1,0|2,0,0]=4 2227 B14R0.2298 CCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210614 [0,1,0,0,1,0|2,0,0]=4 2228 B14R0.2298 CCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210614 [0,1,0,0,1,0|2,0,0]=4 2229 B16R0.180 CCCCCCC(C)NCC(O)COC(=O)C 34a_100000210919_200000139349 [0,1,0,0,0,1|2,0,0]=4 2230 B16R0.180 CCCCCCC(C)OCC(O)COC(=O)C 34a_100000210265_200000139349 [0,1,0,0,0,1|2,0,0]=4 2231 B16R0.180 CCCCCCC(C)OCC(O)COC(=O)C 7a_100000210265_200000139349 [0,1,0,0,0,1|2,0,0]=4 2232 B16R0.180 CCCCCCC(C)SCC(O)COC(=O)C 62a_100011215978_200000139349 [0,1,0,0,0,1|2,0,0]=4 2233 B16R0.180 CCCCCCC(C)SCC(O)COC(=O)C 62a_200000139349_100011215978 [0,1,0,0,0,1|2,0,0]=4 2234 B16R0.812 CCCC(C)CCCOCC(O)COC(=O)C 34a_100011713154_200000139349 [0,1,0,0,0,1|2,0,0]=4 2235 B16R0.812 CCCC(C)CCCOCC(O)COC(=O)C 7a_100011713154_200000139349 [0,1,0,0,0,1|2,0,0]=4 2236 B16R0.1191 CCCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011215753 [0,1,0,0,0,1|2,0,0]=4 2237 B16R0.1191 CCCCCCCCCC(C)OC(C)C(=O)C 7a_100011218016_100000179758 [0,1,0,0,0,1|2,0,0]=4 2238 B16R0.1191 CCCCCCCCCC(C)OC(C)C(=O)N 34a_100011218016_100000702099 [0,1,0,0,0,1|2,0,0]=4 2239 B16R0.1191 CCCCCCCCCC(C)OC(C)C(=O)N 7a_100011218016_100000702099 [0,1,0,0,0,1|2,0,0]=4 2240 B16R0.1191 CCCCCCCCCC(C)OC(F)C(=O)N 34a_100011218016_100009813875 [0,1,0,0,0,1|2,0,0]=4 2241 B16R0.1191 CCCCCCCCCC(C)OC(F)C(=O)N 7a_100011218016_100009813875 [0,1,0,0,0,1|2,0,0]=4 2242 B16R0.1191 CCCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100011218016_100020610796 [0,1,0,0,0,1|1,0,1]=4 2243 B16R0.1203 CCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011215753 [0,1,0,0,0,1|2,0,0]=4 2244 B16R0.2267 CC(=O)OCC(O)CNCCCCCC(C)C 34a_100011290863_200000139349 [0,1,0,0,0,1|2,0,0]=4 2245 B16R0.2267 CC(=O)OCC(O)COCCCCCC(C)C 34a_100011995859_200000139349 [0,1,0,0,0,1|2,0,0]=4 2246 B16R0.2267 CC(=O)OCC(O)COCCCCCC(C)C 7a_100011995859_200000139349 [0,1,0,0,0,1|2,0,0]=4 2247 B16R0.2267 CC(=O)OCC(O)CSCCCCCC(C)C 62a_100000210682_200000139349 [0,1,0,0,0,1|2,0,0]=4 2248 B16R0.2267 CC(=O)OCC(O)CSCCCCCC(C)C 62a_200000139349_100000210682 [0,1,0,0,0,1|2,0,0]=4 2249 B16R0.3183 CC(=O)OCC(O)CNCCCCCCCO 34a_100011996573_200000139349 [0,1,0,0,0,1|2,0,0]=4 2250 B16R0.3183 CC(=O)OCC(O)COCCCCCCCBr 34a_100000760002_200000139349 [0,1,0,0,0,1|2,0,0]=4 2251 B16R0.3183 CC(=O)OCC(O)COCCCCCCCBr 7a_100000760002_200000139349 [0,1,0,0,0,1|2,0,0]=4 2252 B16R0.3183 CC(=O)OCC(O)COCCCCCCCN 34a_100011996573_200000139349 [0,1,0,0,0,1|2,0,0]=4 2253 B16R0.3183 CC(=O)OCC(O)CSCCCCCCCO 62a_100000760002_200000139349 [0,1,0,0,0,1|2,0,0]=4 2254 B16R0.3183 CC(=O)OCC(O)CSCCCCCCCO 62a_200000139349_100000760002 [0,1,0,0,0,1|2,0,0]=4 2255 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [0,1,0,0,0,1|2,0,0]=4 2256 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [0,1,0,0,0,1|2,0,0]=4 2257 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [0,1,0,0,0,1|1,0,1]=4 2258 B16R0.3183 CCCCCCCCCNC(C)COC(=O)C 270004a_100000212291_100000000629 [0,1,0,0,0,1|2,0,0]=4 2259 B16R0.3183 CCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210759 [0,1,0,0,0,1|0,0,2]=4 2260 B16R0.3183 CCCCCCCCNCC(C)CSC(=O)C 2230a_100000229939_200000116872 [0,1,0,0,0,1|2,0,0]=4 2261 B16R0.3183 CCCCCCCCNCC(C)CSC(=O)C 34a_100000229939_200000116872 [0,1,0,0,0,1|2,0,0]=4 2262 B16R0.3183 CCCCCCCCNCC(O)COC(=O)C 34a_100000229939_200000139349 [0,1,0,0,0,1|1,0,0]=3 2263 B16R0.3183 CCCCCCCCOCC(C)CSC(=O)C 34a_100000210232_200000116872 [0,1,0,0,0,1|2,0,0]=4 2264 B16R0.3183 CCCCCCCCOCC(C)CSC(=O)C 7a_100000210232_200000116872 [0,1,0,0,0,1|2,0,0]=4 2265 B16R0.3183 CCCCCCCCOCC(O)COC(=O)C 34a_100000210232_200000139349 [0,1,0,0,0,1|1,0,0]=3 2266 B16R0.3183 CCCCCCCCOCC(O)COC(=O)C 7a_100000210232_200000139349 [0,1,0,0,0,1|1,0,0]=3 2267 B16R0.3183 CCCCCCCCSCC(O)COC(=O)C 62a_100000210759_200000139349 [0,1,0,0,0,1|1,0,0]=3 2268 B16R0.3183 CCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210317 [0,1,0,0,0,1|1,0,0]=3 2269 B16R0.3183 CCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210614 [0,1,0,0,0,1|0,0,2]=4 2270 B16R0.3183 CCCCCNCCOCC(O)COC(=O)C 34a_100000224656_200000139349 [0,1,0,0,0,1|2,0,0]=4 2271 B16R0.3183 CCCCCOCCOCC(O)COC(=O)C 34a_100011215259_200000139349 [0,1,0,0,0,1|2,0,0]=4 2272 B16R0.3183 CCCCCOCCOCC(O)COC(=O)C 7a_100011215259_200000139349 [0,1,0,0,0,1|2,0,0]=4 2273 B16R0.3183 CCCCOCCCNCC(O)COC(=O)C 34a_200000211371_200000139349 [0,1,0,0,0,1|2,0,0]=4 2274 B16R0.3183 CCCCOCCCOCC(O)COC(=O)C 34a_200011215613_200000139349 [0,1,0,0,0,1|2,0,0]=4 2275 B16R0.3183 CCCCOCCCOCC(O)COC(=O)C 7a_200011215613_200000139349 [0,1,0,0,0,1|2,0,0]=4 2276 B16R0.3183 COCCCCCCOCC(O)COC(=O)C 34a_200012092642_200000139349 [0,1,0,0,0,1|2,0,0]=4 2277 B16R0.3183 COCCCCCCOCC(O)COC(=O)C 7a_200012092642_200000139349 [0,1,0,0,0,1|2,0,0]=4 2278 B16R0.3183 COCCCCCCSCC(O)COC(=O)C 62a_100011998445_200000139349 [0,1,0,0,0,1|2,0,0]=4 2279 B16R0.3183 COCCCCCCSCC(O)COC(=O)C 62a_200000139349_100011998445 [0,1,0,0,0,1|2,0,0]=4 2280 B16R0.5203 CCCCCCCN(C)CC(O)COC(=O)C 269982a_100000228206_200000139349 [0,1,0,0,0,1|2,0,0]=4 2281 B16R0.6606 CCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210670 [0,1,0,0,0,1|0,0,2]=4 2282 B16R0.6606 CCCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210670 [0,1,0,0,0,1|0,0,2]=4 2283 B16R0.6606 CCCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210558 [0,1,0,0,0,1|0,0,2]=4 2284 B16R0.6606 CCCCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_200010990708 [0,1,0,0,0,1|0,0,2]=4 2285 B16R0.6606 CCCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011215753 [0,1,0,0,0,1|2,0,0]=4 2286 B16R0.6606 CCCCCCCCCC(C)OCC(=O)CC 7a_100011218016_100000747405 [0,1,0,0,0,1|2,0,0]=4 2287 B16R0.6606 CCCCCCCCCC(C)OCC(=O)NC 34a_100011218016_100000183359 [0,1,0,0,0,1|2,0,0]=4 2288 B16R0.6606 CCCCCCCCCC(C)OCC(=O)NC 7a_100011218016_100000183359 [0,1,0,0,0,1|2,0,0]=4 2289 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 34a_100011218016_100000747449 [0,1,0,0,0,1|1,0,0]=3 2290 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 7a_100011218016_100000747449 [0,1,0,0,0,1|1,0,0]=3 2291 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 2230a_100000232482_100000204255 [0,1,0,0,0,1|2,0,0]=4 2292 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100000232482_100000204255 [0,1,0,0,0,1|2,0,0]=4 2293 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210670 [0,1,0,0,0,1|2,0,0]=4 2294 B16R0.113 CCCCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210614 [0,2,0,0,0,0|1,0,1]=4 2295 B16R0.113 CCCCCCCC(C)OC(C)CC(=O)OC 34a_200011215852_100009817358 [0,2,0,0,0,0|2,0,0]=4 2296 B16R0.113 CCCCCCCC(C)OC(C)CC(=O)OC 7a_200011215852_100009817358 [0,2,0,0,0,0|2,0,0]=4 2297 B16R0.113 CCCCCCCC(C)SC(C)CC(=O)OC 62a_100009817358_200011218727 [0,2,0,0,0,0|2,0,0]=4 2298 B16R0.113 CCCCCCCC(C)SC(C)CC(=O)OC 62a_200011218727_100009817358 [0,2,0,0,0,0|2,0,0]=4 2299 B16R0.113 CCCCCCCC(O)CC(=O)CC(=O)OC 1458a_200011667753_100000747449 [0,2,0,0,0,0|0,0,2]=4 2300 B16R0.784 CCCCCCCC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_200011218727 [0,2,0,0,0,0|2,0,0]=4 2301 B16R0.784 CCCCCCCC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_200011218727 [0,2,0,0,0,0|1,0,0]=3 2302 B16R0.5994 CCCCCCCC(C)NC(C)(C)CC(=O)O 269956a_100000755897_200011218727 [0,2,0,0,0,0|2,0,0]=4 2303 B16R0.60 CC(=O)OCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000033007 [0,2,0,0,0,0|1,0,1]=4 2304 B16R0.67 CC(C(=O)O)N(C)CCCCCCCCCO 269956a_100000749554_100009813782 [0,2,0,0,0,0|2,0,0]=4 2305 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210320 [0,2,0,0,0,0|2,0,0]=4 2306 B16R0.67 CCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011214924 [0,2,0,0,0,0|2,0,0]=4 2307 B16R0.110 CCCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218727 [0,2,0,0,0,0|0,0,0]=2 2308 B16R0.135 CCCNC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100011194427 [0,2,0,0,0,0|1,0,1]=4 2309 B16R0.156 CCCCCNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000230301 [0,2,0,0,0,0|1,0,1]=4 2310 B16R0.263 C#CC(O)CCCCCNCC(O)CC(=O)O 269956a_100011218706_200010408556 [0,2,0,0,0,0|0,0,2]=4 2311 B16R0.263 COC(=O)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100009816466 [0,2,0,0,0,0|1,0,1]=4 2312 B16R0.302 C#CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100153394163 [0,2,0,0,0,0|0,0,1]=3 2313 B16R0.302 C=CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100009814027 [0,2,0,0,0,0|2,0,0]=4 2314 B16R0.302 C=CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012355270 [0,2,0,0,0,0|0,0,1]=3 2315 B16R0.302 CCCCC#CCCCNCC(O)CC(=O)O 269956a_100011218706_200000047210 [0,2,0,0,0,0|0,0,1]=3 2316 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,2,0,0,0,0|2,0,0]=4 2317 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,2,0,0,0,0|0,0,0]=2 2318 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [0,2,0,0,0,0|2,0,0]=4 2319 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,2,0,0,0,0|0,0,0]=2 2320 B16R0.302 O=C(O)CC(O)CNCCOCCOCCO 269956a_100011218706_100000032323 [0,2,0,0,0,0|2,0,0]=4 2321 B16R0.337 CCOC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000750268 [0,2,0,0,0,0|1,0,1]=4 2322 B16R0.657 C#CCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100153394163 [0,2,0,0,0,0|0,0,2]=4 2323 B16R0.657 C=CCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100012355270 [0,2,0,0,0,0|0,0,2]=4 2324 B16R0.657 CCCCC#CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_200000047210 [0,2,0,0,0,0|0,0,2]=4 2325 B16R0.657 CCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210320 [0,2,0,0,0,0|2,0,0]=4 2326 B16R0.657 CCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210320 [0,2,0,0,0,0|1,0,1]=4 2327 B16R0.657 CCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210670 [0,2,0,0,0,0|1,0,0]=3 2328 B16R0.657 CCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210670 [0,2,0,0,0,0|0,0,0]=2 2329 B16R0.657 CCN(CCCCCCCCCO)CC(=O)O 269956a_100000746405_100009813782 [0,2,0,0,0,0|2,0,0]=4 2330 B16R0.657 CC[C@H](CC(=O)O)NCCCCCCCCO 269956a_100016995926_100000033203 [0,2,0,0,0,0|2,0,0]=4 2331 B16R0.657 O=C(O)C[C@@H](CO)NCCCCCCCCO 269956a_100009816507_100000033203 [0,2,0,0,0,0|1,0,0]=3 2332 B16R0.657 O=C([O-])CN(CO)CCCCCCCCCO 269956a_100016989150_100009813782 [0,2,0,0,0,0|1,0,1]=4 2333 B16R0.1182 C#CCCCCCCOC[C@H](O)CC(=O)OC 34a_100011217361_100000754131 [0,2,0,0,0,0|0,0,2]=4 2334 B16R0.1182 C#CCCCCCCOC[C@H](O)CC(=O)OC 7a_100011217361_100000754131 [0,2,0,0,0,0|0,0,2]=4 2335 B16R0.1182 C#CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100012276617 [0,2,0,0,0,0|0,0,2]=4 2336 B16R0.1182 C#CCCCCCCSC[C@H](O)CC(=O)OC 62a_100012276617_100000754131 [0,2,0,0,0,0|0,0,2]=4 2337 B16R0.1182 C=CCCCCCCOC[C@H](O)CC(=O)OC 34a_200011216477_100000754131 [0,2,0,0,0,0|0,0,2]=4 2338 B16R0.1182 C=CCCCCCCOC[C@H](O)CC(=O)OC 7a_200011216477_100000754131 [0,2,0,0,0,0|0,0,2]=4 2339 B16R0.1182 C=CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215473 [0,2,0,0,0,0|0,0,2]=4 2340 B16R0.1182 C=CCCCCCCSC[C@H](O)CC(=O)OC 62a_100011215473_100000754131 [0,2,0,0,0,0|0,0,2]=4 2341 B16R0.1182 CC/C=C\CCCCOC[C@H](O)CC(=O)OC 34a_100016287862_100000754131 [0,2,0,0,0,0|0,0,2]=4 2342 B16R0.1182 CC/C=C\CCCCOC[C@H](O)CC(=O)OC 7a_100016287862_100000754131 [0,2,0,0,0,0|0,0,2]=4 2343 B16R0.1182 CCCC/C=C\CCOC[C@H](O)CC(=O)OC 34a_200016286491_100000754131 [0,2,0,0,0,0|0,0,2]=4 2344 B16R0.1182 CCCC/C=C\CCOC[C@H](O)CC(=O)OC 7a_200016286491_100000754131 [0,2,0,0,0,0|0,0,2]=4 2345 B16R0.1182 CCCCC#CCCOC[C@H](O)CC(=O)OC 34a_100000037610_100000754131 [0,2,0,0,0,0|0,0,2]=4 2346 B16R0.1182 CCCCC#CCCOC[C@H](O)CC(=O)OC 7a_100000037610_100000754131 [0,2,0,0,0,0|0,0,2]=4 2347 B16R0.1182 CCCCC/C=C/COC[C@H](O)CC(=O)OC 34a_100016258190_100000754131 [0,2,0,0,0,0|0,0,2]=4 2348 B16R0.1182 CCCCC/C=C/COC[C@H](O)CC(=O)OC 7a_100016258190_100000754131 [0,2,0,0,0,0|0,0,2]=4 2349 B16R0.1182 CCCCCC#CCOC[C@H](O)CC(=O)OC 34a_200000033628_100000754131 [0,2,0,0,0,0|0,0,2]=4 2350 B16R0.1182 CCCCCC#CCOC[C@H](O)CC(=O)OC 7a_200000033628_100000754131 [0,2,0,0,0,0|0,0,2]=4 2351 B16R0.1182 CCCCCC#CCSC[C@H](O)CC(=O)OC 62a_100000754131_100009816472 [0,2,0,0,0,0|0,0,2]=4 2352 B16R0.1182 CCCCCC#CCSC[C@H](O)CC(=O)OC 62a_100009816472_100000754131 [0,2,0,0,0,0|0,0,2]=4 2353 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210375_100000747449 [0,2,0,0,0,0|0,0,2]=4 2354 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210319 [0,2,0,0,0,0|0,0,2]=4 2355 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210320 [0,2,0,0,0,0|2,0,0]=4 2356 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000207566_100000747449 [0,2,0,0,0,0|2,0,0]=4 2357 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 269982a_100000207566_100000747449 [0,2,0,0,0,0|2,0,0]=4 2358 B16R0.1182 CCCCCCCCCNC(=O)CC(=O)OC 240690a_100000212291_100000211351 [0,2,0,0,0,0|0,0,2]=4 2359 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 2230a_100000212291_100009817358 [0,2,0,0,0,0|1,0,0]=3 2360 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 34a_100000212291_100009817358 [0,2,0,0,0,0|1,0,0]=3 2361 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 34a_100000210712_100009817358 [0,2,0,0,0,0|1,0,0]=3 2362 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 7a_100000210712_100009817358 [0,2,0,0,0,0|1,0,0]=3 2363 B16R0.1182 CCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210670 [0,2,0,0,0,0|1,0,0]=3 2364 B16R0.1182 CCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000229939_100000754131 [0,2,0,0,0,0|0,0,0]=2 2365 B16R0.1182 CCCCCCCCOCC(=O)CC(=O)OC 1458a_100000759886_100000747449 [0,2,0,0,0,0|0,0,2]=4 2366 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210232_100000754131 [0,2,0,0,0,0|0,0,0]=2 2367 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210232_100000754131 [0,2,0,0,0,0|0,0,0]=2 2368 B16R0.1182 CCCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210317 [0,2,0,0,0,0|0,0,2]=4 2369 B16R0.1182 CCCCCCCCSCC(=O)CC(=O)OC 62a_100000210759_100000210525 [0,2,0,0,0,0|0,0,2]=4 2370 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210759_100000754131 [0,2,0,0,0,0|0,0,0]=2 2371 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210317 [0,2,0,0,0,0|0,0,0]=2 2372 B16R0.1182 CCCCCCOCCOC(C)CC(=O)OC 34a_100000691444_100009817358 [0,2,0,0,0,0|2,0,0]=4 2373 B16R0.1182 CCCCCCOCCOC(C)CC(=O)OC 7a_100000691444_100009817358 [0,2,0,0,0,0|2,0,0]=4 2374 B16R0.1182 CCCCCNCCOC[C@H](O)CC(=O)OC 34a_100000224656_100000754131 [0,2,0,0,0,0|1,0,0]=3 2375 B16R0.1182 CCCCCOCCOC[C@H](O)CC(=O)OC 34a_100011215259_100000754131 [0,2,0,0,0,0|1,0,0]=3 2376 B16R0.1182 CCCCCOCCOC[C@H](O)CC(=O)OC 7a_100011215259_100000754131 [0,2,0,0,0,0|1,0,0]=3 2377 B16R0.1182 CCCCNCCCCOC(C)CC(=O)OC 34a_200011216965_100009817358 [0,2,0,0,0,0|2,0,0]=4 2378 B16R0.1182 CCCCOCCCCOC(C)CC(=O)OC 34a_200000760531_100009817358 [0,2,0,0,0,0|2,0,0]=4 2379 B16R0.1182 CCCCOCCCCOC(C)CC(=O)OC 7a_200000760531_100009817358 [0,2,0,0,0,0|2,0,0]=4 2380 B16R0.1182 CCCCOCCCNC[C@H](O)CC(=O)OC 34a_200000211371_100000754131 [0,2,0,0,0,0|1,0,0]=3 2381 B16R0.1182 CCCCOCCCOC[C@H](O)CC(=O)OC 34a_200011215613_100000754131 [0,2,0,0,0,0|1,0,0]=3 2382 B16R0.1182 CCCCOCCCOC[C@H](O)CC(=O)OC 7a_200011215613_100000754131 [0,2,0,0,0,0|1,0,0]=3 2383 B16R0.1182 CCOCCOCCNC[C@H](O)CC(=O)OC 34a_100102712874_100000754131 [0,2,0,0,0,0|2,0,0]=4 2384 B16R0.1182 CCOCCOCCOC[C@H](O)CC(=O)OC 34a_100000210240_100000754131 [0,2,0,0,0,0|2,0,0]=4 2385 B16R0.1182 CCOCCOCCOC[C@H](O)CC(=O)OC 7a_100000210240_100000754131 [0,2,0,0,0,0|2,0,0]=4 2386 B16R0.1182 CCOCCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011211534 [0,2,0,0,0,0|2,0,0]=4 2387 B16R0.1182 CCOCCOCCSC[C@H](O)CC(=O)OC 62a_100011211534_100000754131 [0,2,0,0,0,0|2,0,0]=4 2388 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000747449 [0,2,0,0,0,0|0,0,2]=4 2389 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCO 1458a_100000211351_100009813782 [0,2,0,0,0,0|0,0,2]=4 2390 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 2230a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 2391 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 34a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 2392 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 34a_100009813846_100009817358 [0,2,0,0,0,0|2,0,0]=4 2393 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 7a_100009813846_100009817358 [0,2,0,0,0,0|2,0,0]=4 2394 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 34a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 2395 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 7a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 2396 B16R0.1182 COC(=O)CC(C)OCCCCCCCCN 34a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 2397 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 2398 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100009817358_100000033203 [0,2,0,0,0,0|2,0,0]=4 2399 B16R0.1182 COC(=O)CN(C)CCCCCCCCCO 2230a_100000198492_100009813782 [0,2,0,0,0,0|2,0,0]=4 2400 B16R0.1182 COC(=O)C[C@@H](O)CNCCCCCCCO 34a_100011996573_100000754131 [0,2,0,0,0,0|1,0,0]=3 2401 B16R0.1182 COC(=O)C[C@@H](O)CNCCCOCCCO 34a_100011310245_100000754131 [0,2,0,0,0,0|2,0,0]=4 2402 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 34a_100000760002_100000754131 [0,2,0,0,0,0|1,0,0]=3 2403 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 7a_100000760002_100000754131 [0,2,0,0,0,0|1,0,0]=3 2404 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCN 34a_100011996573_100000754131 [0,2,0,0,0,0|1,0,0]=3 2405 B16R0.1182 COC(=O)C[C@@H](O)COCCCOCCCN 34a_100011310245_100000754131 [0,2,0,0,0,0|2,0,0]=4 2406 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCC#N 62a_100000754131_100009813337 [0,2,0,0,0,0|1,0,1]=4 2407 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCC#N 62a_100009813337_100000754131 [0,2,0,0,0,0|1,0,1]=4 2408 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000754131_100000760002 [0,2,0,0,0,0|1,0,0]=3 2409 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000760002_100000754131 [0,2,0,0,0,0|1,0,0]=3 2410 B16R0.1182 COCCCCCCOC[C@H](O)CC(=O)OC 34a_200012092642_100000754131 [0,2,0,0,0,0|1,0,0]=3 2411 B16R0.1182 COCCCCCCOC[C@H](O)CC(=O)OC 7a_200012092642_100000754131 [0,2,0,0,0,0|1,0,0]=3 2412 B16R0.1182 COCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011998445 [0,2,0,0,0,0|1,0,0]=3 2413 B16R0.1182 COCCCCCCSC[C@H](O)CC(=O)OC 62a_100011998445_100000754131 [0,2,0,0,0,0|1,0,0]=3 2414 B16R0.1182 COCCOCCCNC[C@H](O)CC(=O)OC 34a_100000206027_100000754131 [0,2,0,0,0,0|2,0,0]=4 2415 B16R0.1182 COCCOCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011216529 [0,2,0,0,0,0|2,0,0]=4 2416 B16R0.1182 COCCOCCCSC[C@H](O)CC(=O)OC 62a_100011216529_100000754131 [0,2,0,0,0,0|2,0,0]=4 2417 B16R0.1193 CCCCCCCCNCC(O)CS(=O)(=O)[O-] 34a_100000229939_100016993520 [0,2,0,0,0,0|1,0,1]=4 2418 B16R0.1193 CCCCCCCCOCC(O)CS(=O)(=O)[O-] 34a_100000210232_100016993520 [0,2,0,0,0,0|1,0,1]=4 2419 B16R0.1193 CCCCCCCCOCC(O)CS(=O)(=O)[O-] 7a_100000210232_100016993520 [0,2,0,0,0,0|1,0,1]=4 2420 B16R0.1193 CCCCCCCCSCC(O)CS(=O)(=O)[O-] 62a_100000210759_100016993520 [0,2,0,0,0,0|1,0,1]=4 2421 B16R0.1193 CCCCCCCCSCC(O)CS(=O)(=O)[O-] 62a_100016993520_100000210317 [0,2,0,0,0,0|1,0,1]=4 2422 B16R0.8617 CC(C)(CC(=O)O)NCCCCCCCCO 269956a_100000755897_100000033203 [0,2,0,0,0,0|2,0,0]=4 2423 B16R0.8617 CCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100011214924 [0,2,0,0,0,0|2,0,0]=4 2424 B16R0.8617 CCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210670 [0,2,0,0,0,0|1,0,0]=3 2425 B16R0.8617 CCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210328 [0,2,0,0,0,0|2,0,0]=4 2426 B16R0.3227 CCCC(C)CCCOC[C@H](O)CC(=O)OC 34a_100011713154_100000754131 [0,2,0,0,0,0|1,0,0]=3 2427 B16R0.3227 CCCC(C)CCCOC[C@H](O)CC(=O)OC 7a_100011713154_100000754131 [0,2,0,0,0,0|1,0,0]=3 2428 B16R0.1262 CCCCCCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100102632555 [0,2,0,0,0,0|1,0,1]=4 2429 B16R0.1262 CCCCCCC(C)NC[C@H](O)CC(=O)OC 34a_100000210919_100000754131 [0,2,0,0,0,0|1,0,0]=3 2430 B16R0.1262 CCCCCCC(C)OC[C@H](O)CC(=O)OC 34a_100000210265_100000754131 [0,2,0,0,0,0|1,0,0]=3 2431 B16R0.1262 CCCCCCC(C)OC[C@H](O)CC(=O)OC 7a_100000210265_100000754131 [0,2,0,0,0,0|1,0,0]=3 2432 B16R0.1262 CCCCCCC(C)SC[C@H](O)CC(=O)OC 62a_100000754131_100011215978 [0,2,0,0,0,0|1,0,0]=3 2433 B16R0.1262 CCCCCCC(C)SC[C@H](O)CC(=O)OC 62a_100011215978_100000754131 [0,2,0,0,0,0|1,0,0]=3 2434 B16R0.1262 CCCCOCC(C)OC[C@H](O)CC(=O)OC 34a_100011217071_100000754131 [0,2,0,0,0,0|2,0,0]=4 2435 B16R0.1262 CCCCOCC(C)OC[C@H](O)CC(=O)OC 7a_100011217071_100000754131 [0,2,0,0,0,0|2,0,0]=4 2436 B16R0.1156 CCCCC(CC)CCCCN(C)CC(=O)O 269956a_100000746989_200012094884 [0,2,0,0,0,0|2,0,0]=4 2437 B16R0.5460 CC(C)(O)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100010402123 [0,2,0,0,0,0|1,0,0]=3 2438 B16R0.5460 C[N+](C)(C)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813293 [0,2,0,0,0,0|2,0,0]=4 2439 B16R0.5460 O=C(O)CC(O)CNCCCCCC(F)(F)F 269956a_100011218706_100010187589 [0,2,0,0,0,0|2,0,0]=4 2440 B16R0.7985 COC(=O)CC(C)NCCCCCCC(C)C 2230a_100000211014_100009817358 [0,2,0,0,0,0|2,0,0]=4 2441 B16R0.7985 COC(=O)CC(C)NCCCCCCC(C)C 34a_100000211014_100009817358 [0,2,0,0,0,0|2,0,0]=4 2442 B16R0.7985 COC(=O)C[C@@H](O)CNCCCCCC(C)C 34a_100011290863_100000754131 [0,2,0,0,0,0|1,0,0]=3 2443 B16R0.7985 COC(=O)C[C@@H](O)CNCCCOCC(C)C 34a_100000205972_100000754131 [0,2,0,0,0,0|2,0,0]=4 2444 B16R0.7985 COC(=O)C[C@@H](O)COCCCCCC(C)C 34a_100011995859_100000754131 [0,2,0,0,0,0|1,0,0]=3 2445 B16R0.7985 COC(=O)C[C@@H](O)COCCCCCC(C)C 7a_100011995859_100000754131 [0,2,0,0,0,0|1,0,0]=3 2446 B16R0.7985 COC(=O)C[C@@H](O)COCCCCNC(C)C 34a_100011521146_100000754131 [0,2,0,0,0,0|2,0,0]=4 2447 B16R0.7985 COC(=O)C[C@@H](O)CSCCCCCC(C)C 62a_100000210682_100000754131 [0,2,0,0,0,0|1,0,0]=3 2448 B16R0.7985 COC(=O)C[C@@H](O)CSCCCCCC(C)C 62a_100000754131_100000210682 [0,2,0,0,0,0|1,0,0]=3 2449 B16R0.8180 CCC(C)CCCCCOC(C)CC(=O)OC 7a_200000035636_100009817358 [0,2,0,0,0,0|2,0,0]=4 2450 B16R0.4850 CCCCCCCCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210670 [0,2,0,0,0,0|2,0,0]=4 2451 B16R0.4852 CCCCCCCCCC(=O)C(C)C(=O)OC 1458a_100000210558_100000211248 [0,2,0,0,0,0|0,0,2]=4 2452 B16R0.4852 CCCCCCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210670 [0,2,0,0,0,0|0,0,2]=4 2453 B16R0.4852 CCCCCCCCCN(C)C(C)C(=O)OC 2230a_100000232482_100000211248 [0,2,0,0,0,0|2,0,0]=4 2454 B16R0.4852 CCCCCCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100011214924 [0,2,0,0,0,0|2,0,0]=4 2455 B16R0.4852 CCCCCCCCCN(C)C(C)C(=O)OC 269982a_100000232482_100000211248 [0,2,0,0,0,0|2,0,0]=4 2456 B16R0.4852 CCCCCCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210670 [0,2,0,0,0,0|2,0,0]=4 2457 B16R0.4852 CCCCCCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210759 [0,2,0,0,0,0|2,0,0]=4 2458 B16R0.3113 CCCCCC(=O)CSC[C@H](O)CC(=O)OC 62a_100000754131_200012276598 [0,2,0,0,0,0|1,0,1]=4 2459 B16R0.3113 CCCCCC(=O)CSC[C@H](O)CC(=O)OC 62a_200012276598_100000754131 [0,2,0,0,0,0|1,0,1]=4 2460 B16R0.3113 COC(=O)C[C@@H](O)COC[C@@H](N)CCCCN 34a_100016993712_100000754131 [0,2,0,0,0,0|2,0,0]=4 2461 B16R0.1189 CCCCCCCCNC(CC(=O)O)C(C)C 269956a_100000695669_100000210759 [0,2,0,0,0,0|2,0,0]=4 2462 B16R0.1194 CCCCCCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210759 [0,2,0,0,0,0|2,0,0]=4 2463 B16R0.1194 CCCCCCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210759 [0,2,0,0,0,0|2,0,0]=4 2464 B16R0.3184 C#CCN(CCCCCCCCC)CC(=O)O 269956a_100011236498_100000210670 [0,2,0,0,0,0|2,0,0]=4 2465 B16R0.3184 C=CCN(CCCCCCCCC)CC(=O)O 269956a_100000744315_100000210670 [0,2,0,0,0,0|2,0,0]=4 2466 B16R0.3184 CCCCCCCCCN(CCO)CC(=O)O 269956a_100000747938_100000210670 [0,2,0,0,0,0|1,0,0]=3 2467 B16R0.3184 O=C(O)CN(CCO)CCCCCCCCO 269956a_100000747938_100000033203 [0,2,0,0,0,0|2,0,0]=4 2468 B16R0.154 C=COC(=O)CC(=O)CCCCCCCCC 1458a_100000210558_100000036128 [0,2,0,0,0,0|0,0,2]=4 2469 B16R0.154 C=COC(=O)CN(C)CCCCCCCCC 2230a_100000232482_100000036128 [0,2,0,0,0,0|2,0,0]=4 2470 B16R0.154 C=COC(=O)CN(C)CCCCCCCCC 269982a_100000232482_100000036128 [0,2,0,0,0,0|2,0,0]=4 2471 B16R0.154 CCCCCCCCCC(=O)CC(=O)NCO 1458a_100000210558_100000185155 [0,2,0,0,0,0|0,0,2]=4 2472 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000210558_100000188475 [0,2,0,0,0,0|0,0,2]=4 2473 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210670 [0,2,0,0,0,0|0,0,2]=4 2474 B16R0.154 CCCCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200012339438 [0,2,0,0,0,0|1,0,0]=3 2475 B16R0.154 CCCCCCCCCC(O)CC(=O)NNC 22a_100016993582_200012339438 [0,2,0,0,0,0|1,0,0]=3 2476 B16R0.154 CCCCCCCCCN(C)CC(=O)NCO 2230a_100000232482_100000185155 [0,2,0,0,0,0|2,0,0]=4 2477 B16R0.154 CCCCCCCCCN(C)CC(=O)NCO 269982a_100000232482_100000185155 [0,2,0,0,0,0|2,0,0]=4 2478 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100011214924 [0,2,0,0,0,0|2,0,0]=4 2479 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 2230a_100000232482_100000188475 [0,2,0,0,0,0|2,0,0]=4 2480 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 269982a_100000232482_100000188475 [0,2,0,0,0,0|2,0,0]=4 2481 B16R0.154 CCCCCCCCNC(C)CC(=O)OCC 2230a_100000229939_100009817359 [0,2,0,0,0,0|2,0,0]=4 2482 B16R0.154 CCCCCCCCOC(C)CC(=O)OCC 7a_100000210232_100009817359 [0,2,0,0,0,0|2,0,0]=4 2483 B16R0.154 CCCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210759 [0,2,0,0,0,0|2,0,0]=4 2484 B16R0.154 CCCCCCCCSC(C)CC(=O)OCC 62a_100000210759_100009817359 [0,2,0,0,0,0|2,0,0]=4 2485 B16R0.154 CCCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210317 [0,2,0,0,0,0|2,0,0]=4 2486 B16R0.154 CCCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210272_100000688340 [0,2,0,0,0,0|1,0,0]=3 2487 B16R0.154 CCCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210272_100000688340 [0,2,0,0,0,0|1,0,0]=3 2488 B16R0.154 CCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210614_100000688340 [0,2,0,0,0,0|1,0,0]=3 2489 B16R0.154 CCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210316 [0,2,0,0,0,0|1,0,0]=3 2490 B16R0.154 CCCCOCCOC[C@@H](O)CC(=O)OCC 34a_100000210238_100000688340 [0,2,0,0,0,0|2,0,0]=4 2491 B16R0.154 CCCCOCCOC[C@@H](O)CC(=O)OCC 7a_100000210238_100000688340 [0,2,0,0,0,0|2,0,0]=4 2492 B16R0.154 CCCCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000743108 [0,2,0,0,0,0|2,0,0]=4 2493 B16R0.154 CCCCOCCSC[C@@H](O)CC(=O)OCC 62a_100000743108_100000688340 [0,2,0,0,0,0|2,0,0]=4 2494 B16R0.154 CCCCSCCOC[C@@H](O)CC(=O)OCC 34a_200000230436_100000688340 [0,2,0,0,0,0|2,0,0]=4 2495 B16R0.154 CCCCSCCOC[C@@H](O)CC(=O)OCC 7a_200000230436_100000688340 [0,2,0,0,0,0|2,0,0]=4 2496 B16R0.154 CCCOCCCNC[C@@H](O)CC(=O)OCC 34a_100011217757_100000688340 [0,2,0,0,0,0|2,0,0]=4 2497 B16R0.154 CCOC(=O)C[C@H](O)CNCCCCCCO 34a_100000686447_100000688340 [0,2,0,0,0,0|2,0,0]=4 2498 B16R0.154 CCOC(=O)C[C@H](O)CNCCCCCOC 34a_100000747528_100000688340 [0,2,0,0,0,0|2,0,0]=4 2499 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCBr 34a_100011215345_100000688340 [0,2,0,0,0,0|2,0,0]=4 2500 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCBr 7a_100011215345_100000688340 [0,2,0,0,0,0|2,0,0]=4 2501 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCCl 34a_100000766143_100000688340 [0,2,0,0,0,0|2,0,0]=4 2502 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCCl 7a_100000766143_100000688340 [0,2,0,0,0,0|2,0,0]=4 2503 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCF 34a_100000732779_100000688340 [0,2,0,0,0,0|2,0,0]=4 2504 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCF 7a_100000732779_100000688340 [0,2,0,0,0,0|2,0,0]=4 2505 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCN 34a_100000686447_100000688340 [0,2,0,0,0,0|2,0,0]=4 2506 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCNC 34a_100000722520_100000688340 [0,2,0,0,0,0|2,0,0]=4 2507 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCF 62a_100000688340_100015922095 [0,2,0,0,0,0|2,0,0]=4 2508 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCF 62a_100015922095_100000688340 [0,2,0,0,0,0|2,0,0]=4 2509 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCO 62a_100000688340_100000766143 [0,2,0,0,0,0|2,0,0]=4 2510 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCO 62a_100000766143_100000688340 [0,2,0,0,0,0|2,0,0]=4 2511 B16R0.3180 CCCCCCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210759 [0,2,0,0,0,0|1,0,1]=4 2512 B16R0.3180 CCCCCCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100011216694 [0,2,0,0,0,0|2,0,0]=4 2513 B16R0.3180 CCCCCCCCC(O)C(=O)CC(=O)OC 1458a_200011995895_100000747449 [0,2,0,0,0,0|0,0,2]=4 2514 B16R0.3180 CCCCCCCCN(C)C(C)CC(=O)OC 2230a_100000207567_100009817358 [0,2,0,0,0,0|2,0,0]=4 2515 B16R0.3180 CCCCCCCCN(C)C(C)CC(=O)OC 269982a_100000207567_100009817358 [0,2,0,0,0,0|2,0,0]=4 2516 B16R0.11498 CCCCCCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210759 [0,2,0,0,0,0|2,0,0]=4 2517 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [1,0,0,1,0,0|2,0,0]=4 2518 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [1,0,0,1,0,0|2,0,0]=4 2519 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [1,0,0,1,0,0|2,0,0]=4 2520 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [1,0,0,1,0,0|2,0,0]=4 2521 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [1,0,0,1,0,0|2,0,0]=4 2522 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [1,0,0,1,0,0|2,0,0]=4 2523 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [1,0,0,1,0,0|2,0,0]=4 2524 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [1,0,0,1,0,0|2,0,0]=4 2525 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [1,0,0,1,0,0|2,0,0]=4 2526 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [1,0,0,1,0,0|2,0,0]=4 2527 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [1,0,0,1,0,0|2,0,0]=4 2528 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [1,0,0,1,0,0|2,0,0]=4 2529 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 2530 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 2531 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [1,0,0,1,0,0|2,0,0]=4 2532 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [1,0,0,1,0,0|2,0,0]=4 2533 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [1,0,0,1,0,0|2,0,0]=4 2534 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [1,0,0,1,0,0|2,0,0]=4 2535 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [1,0,0,1,0,0|2,0,0]=4 2536 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [1,0,0,1,0,0|2,0,0]=4 2537 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [1,0,0,1,0,0|2,0,0]=4 2538 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [1,0,0,1,0,0|2,0,0]=4 2539 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 2540 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 2541 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [1,0,0,1,0,0|2,0,0]=4 2542 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 2543 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [1,0,0,1,0,0|2,0,0]=4 2544 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 2545 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [1,0,0,1,0,0|2,0,0]=4 2546 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [1,0,0,1,0,0|2,0,0]=4 2547 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [1,0,0,1,0,0|2,0,0]=4 2548 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [1,0,0,1,0,0|2,0,0]=4 2549 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [1,0,0,1,0,0|2,0,0]=4 2550 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [1,0,0,1,0,0|2,0,0]=4 2551 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [1,0,0,1,0,0|2,0,0]=4 2552 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [1,0,0,1,0,0|2,0,0]=4 2553 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [1,0,0,1,0,0|2,0,0]=4 2554 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [1,0,0,1,0,0|2,0,0]=4 2555 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [1,0,0,1,0,0|2,0,0]=4 2556 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [1,0,0,1,0,0|2,0,0]=4 2557 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [1,0,0,1,0,0|2,0,0]=4 2558 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [1,0,0,1,0,0|2,0,0]=4 2559 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [1,0,0,1,0,0|2,0,0]=4 2560 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 2561 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 2562 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [1,0,0,1,0,0|2,0,0]=4 2563 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [1,0,0,1,0,0|2,0,0]=4 2564 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [1,0,0,1,0,0|2,0,0]=4 2565 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [1,0,0,1,0,0|2,0,0]=4 2566 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 2567 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 2568 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 2569 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 2570 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 2571 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [1,0,0,1,0,0|2,0,0]=4 2572 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [1,0,0,1,0,0|1,0,0]=3 2573 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [1,0,0,1,0,0|2,0,0]=4 2574 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [1,0,0,1,0,0|2,0,0]=4 2575 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [1,0,0,1,0,0|2,0,0]=4 2576 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [1,0,0,1,0,0|2,0,0]=4 2577 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [1,0,0,1,0,0|2,0,0]=4 2578 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [1,0,0,1,0,0|2,0,0]=4 2579 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [1,0,0,1,0,0|2,0,0]=4 2580 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [1,0,0,1,0,0|2,0,0]=4 2581 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 2582 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 2583 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [1,0,0,1,0,0|2,0,0]=4 2584 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [1,0,0,1,0,0|2,0,0]=4 2585 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [1,0,0,1,0,0|2,0,0]=4 2586 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [1,0,0,1,0,0|2,0,0]=4 2587 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [1,0,0,1,0,0|2,0,0]=4 2588 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [1,0,0,1,0,0|2,0,0]=4 2589 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [1,0,0,1,0,0|2,0,0]=4 2590 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [1,0,0,1,0,0|2,0,0]=4 2591 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 2592 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [1,0,0,1,0,0|2,0,0]=4 2593 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 2594 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [1,0,0,1,0,0|2,0,0]=4 2595 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [1,0,0,1,0,0|2,0,0]=4 2596 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [1,0,0,1,0,0|2,0,0]=4 2597 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [1,0,0,1,0,0|2,0,0]=4 2598 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [1,0,0,1,0,0|2,0,0]=4 2599 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [1,0,0,1,0,0|2,0,0]=4 2600 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [1,0,0,1,0,0|2,0,0]=4 2601 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [1,0,0,1,0,0|2,0,0]=4 2602 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [1,0,0,1,0,0|2,0,0]=4 2603 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [1,0,0,1,0,0|2,0,0]=4 2604 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 2605 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 2606 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [1,0,0,1,0,0|2,0,0]=4 2607 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [1,0,0,1,0,0|2,0,0]=4 2608 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [1,0,0,1,0,0|2,0,0]=4 2609 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 2610 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 2611 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [1,0,0,1,0,0|2,0,0]=4 2612 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [1,0,0,1,0,0|2,0,0]=4 2613 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [1,0,0,1,0,0|2,0,0]=4 2614 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [1,0,0,1,0,0|2,0,0]=4 2615 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [1,0,0,1,0,0|2,0,0]=4 2616 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [1,0,0,1,0,0|2,0,0]=4 2617 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [1,0,0,1,0,0|2,0,0]=4 2618 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [1,0,0,1,0,0|2,0,0]=4 2619 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [1,0,0,1,0,0|2,0,0]=4 2620 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [1,0,0,1,0,0|2,0,0]=4 2621 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [1,0,0,1,0,0|2,0,0]=4 2622 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [1,0,0,1,0,0|2,0,0]=4 2623 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [1,0,0,1,0,0|2,0,0]=4 2624 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 2625 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 2626 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [1,0,0,1,0,0|2,0,0]=4 2627 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [1,0,0,1,0,0|2,0,0]=4 2628 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [1,0,0,1,0,0|1,0,0]=3 2629 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [1,0,0,1,0,0|2,0,0]=4 2630 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [1,0,0,1,0,0|2,0,0]=4 2631 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [1,0,0,1,0,0|2,0,0]=4 2632 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [1,0,0,1,0,0|2,0,0]=4 2633 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [1,0,0,1,0,0|1,0,1]=4 2634 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [1,0,0,1,0,0|1,0,1]=4 2635 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [1,0,0,1,0,0|1,0,1]=4 2636 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [1,0,0,1,0,0|1,0,1]=4 2637 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [1,0,0,1,0,0|2,0,0]=4 2638 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [1,0,0,1,0,0|2,0,0]=4 2639 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [1,0,0,1,0,0|2,0,0]=4 2640 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [1,0,0,1,0,0|2,0,0]=4 2641 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [1,0,0,1,0,0|2,0,0]=4 2642 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [1,0,0,1,0,0|2,0,0]=4 2643 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [1,0,0,1,0,0|2,0,0]=4 2644 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [1,0,0,1,0,0|2,0,0]=4 2645 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 2646 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [1,0,0,1,0,0|2,0,0]=4 2647 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 2648 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [1,0,0,1,0,0|2,0,0]=4 2649 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [1,0,0,1,0,0|2,0,0]=4 2650 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 2651 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 2652 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [1,0,0,1,0,0|2,0,0]=4 2653 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [1,0,0,1,0,0|2,0,0]=4 2654 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [1,0,0,1,0,0|2,0,0]=4 2655 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 2656 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 2657 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 2658 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 2659 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 2660 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 2661 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [1,0,0,1,0,0|2,0,0]=4 2662 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [1,0,0,1,0,0|2,0,0]=4 2663 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [1,0,0,1,0,0|2,0,0]=4 2664 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [1,0,0,1,0,0|2,0,0]=4 2665 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 2666 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 2667 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [1,0,0,1,0,0|2,0,0]=4 2668 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [1,0,0,1,0,0|2,0,0]=4 2669 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 2670 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 2671 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [1,0,0,1,0,0|2,0,0]=4 2672 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [1,0,0,1,0,0|2,0,0]=4 2673 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [1,0,0,1,0,0|2,0,0]=4 2674 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [1,0,0,1,0,0|2,0,0]=4 2675 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 2676 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [1,0,0,1,0,0|2,0,0]=4 2677 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 2678 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [1,0,0,1,0,0|2,0,0]=4 2679 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [1,0,0,1,0,0|2,0,0]=4 2680 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [1,0,0,1,0,0|2,0,0]=4 2681 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [1,0,0,1,0,0|2,0,0]=4 2682 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [1,0,0,1,0,0|2,0,0]=4 2683 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [1,0,0,1,0,0|1,0,1]=4 2684 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 2685 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 2686 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [1,0,0,1,0,0|1,0,1]=4 2687 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [1,0,0,1,0,0|2,0,0]=4 2688 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 2689 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 2690 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [1,0,0,1,0,0|2,0,0]=4 2691 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [1,0,0,1,0,0|1,0,0]=3 2692 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [1,0,0,1,0,0|2,0,0]=4 2693 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [1,0,0,1,0,0|2,0,0]=4 2694 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [1,0,0,1,0,0|2,0,0]=4 2695 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [1,0,0,1,0,0|2,0,0]=4 2696 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [1,0,0,1,0,0|2,0,0]=4 2697 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [1,0,0,1,0,0|1,0,0]=3 2698 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [1,0,0,1,0,0|2,0,0]=4 2699 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [1,0,0,1,0,0|2,0,0]=4 2700 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [1,0,0,1,0,0|2,0,0]=4 2701 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [1,0,0,1,0,0|2,0,0]=4 2702 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [1,0,0,1,0,0|2,0,0]=4 2703 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 2704 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 2705 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [1,0,0,1,0,0|2,0,0]=4 2706 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [1,0,0,1,0,0|2,0,0]=4 2707 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [1,0,0,1,0,0|2,0,0]=4 2708 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [1,0,0,1,0,0|2,0,0]=4 2709 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [1,0,0,1,0,0|1,0,0]=3 2710 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [1,0,0,1,0,0|2,0,0]=4 2711 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [1,0,0,1,0,0|2,0,0]=4 2712 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [1,0,0,1,0,0|2,0,0]=4 2713 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [1,0,0,1,0,0|1,0,0]=3 2714 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [1,0,0,1,0,0|2,0,0]=4 2715 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [1,0,0,1,0,0|2,0,0]=4 2716 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [1,0,0,1,0,0|2,0,0]=4 2717 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [1,0,0,1,0,0|2,0,0]=4 2718 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [1,0,0,1,0,0|2,0,0]=4 2719 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [1,0,0,1,0,0|2,0,0]=4 2720 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [1,0,0,1,0,0|2,0,0]=4 2721 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [1,0,0,1,0,0|2,0,0]=4 2722 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [1,0,0,1,0,0|2,0,0]=4 2723 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [1,0,0,1,0,0|2,0,0]=4 2724 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [1,0,0,1,0,0|2,0,0]=4 2725 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [1,0,0,1,0,0|2,0,0]=4 2726 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [1,0,0,1,0,0|2,0,0]=4 2727 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 2728 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 2729 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 2730 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [1,0,0,1,0,0|2,0,0]=4 2731 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 2732 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 2733 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [1,0,0,1,0,0|2,0,0]=4 2734 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [1,0,0,1,0,0|2,0,0]=4 2735 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [1,0,0,1,0,0|2,0,0]=4 2736 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [1,0,0,1,0,0|2,0,0]=4 2737 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 2738 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 2739 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [1,0,0,1,0,0|1,0,1]=4 2740 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [1,0,0,1,0,0|1,0,0]=3 2741 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [1,0,0,1,0,0|2,0,0]=4 2742 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [1,0,0,1,0,0|2,0,0]=4 2743 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [1,0,0,1,0,0|2,0,0]=4 2744 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 2745 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 2746 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 2747 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [1,0,0,1,0,0|2,0,0]=4 2748 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 2749 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [1,0,0,1,0,0|2,0,0]=4 2750 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [1,0,0,1,0,0|2,0,0]=4 2751 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [1,0,0,1,0,0|1,0,1]=4 2752 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [1,0,0,1,0,0|1,0,0]=3 2753 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [1,0,0,1,0,0|2,0,0]=4 2754 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [1,0,0,1,0,0|2,0,0]=4 2755 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 2756 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 2757 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [1,0,0,1,0,0|2,0,0]=4 2758 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [1,0,0,1,0,0|2,0,0]=4 2759 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [1,0,0,1,0,0|2,0,0]=4 2760 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [1,0,0,1,0,0|2,0,0]=4 2761 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [1,0,0,1,0,0|2,0,0]=4 2762 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [1,0,0,1,0,0|2,0,0]=4 2763 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [1,0,0,1,0,0|2,0,0]=4 2764 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [1,0,0,1,0,0|2,0,0]=4 2765 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [1,0,0,1,0,0|2,0,0]=4 2766 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 2767 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [1,0,0,1,0,0|2,0,0]=4 2768 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 2769 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [1,0,0,1,0,0|2,0,0]=4 2770 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [1,0,0,1,0,0|2,0,0]=4 2771 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [1,0,0,1,0,0|2,0,0]=4 2772 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [1,0,0,1,0,0|2,0,0]=4 2773 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 2774 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 2775 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [1,0,0,1,0,0|2,0,0]=4 2776 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [1,0,0,1,0,0|2,0,0]=4 2777 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [1,0,0,1,0,0|2,0,0]=4 2778 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [1,0,0,1,0,0|2,0,0]=4 2779 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [1,0,0,1,0,0|2,0,0]=4 2780 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [1,0,0,1,0,0|2,0,0]=4 2781 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 2782 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [1,0,0,1,0,0|2,0,0]=4 2783 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 2784 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [1,0,0,1,0,0|2,0,0]=4 2785 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [1,0,0,1,0,0|2,0,0]=4 2786 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [1,0,0,1,0,0|2,0,0]=4 2787 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [1,0,0,1,0,0|2,0,0]=4 2788 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [1,0,0,1,0,0|2,0,0]=4 2789 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [1,0,0,1,0,0|2,0,0]=4 2790 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [1,0,0,1,0,0|1,0,1]=4 2791 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [1,0,0,1,0,0|2,0,0]=4 2792 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [1,0,0,1,0,0|2,0,0]=4 2793 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 2794 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [1,0,0,1,0,0|2,0,0]=4 2795 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 2796 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [1,0,0,1,0,0|2,0,0]=4 2797 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [1,0,0,1,0,0|2,0,0]=4 2798 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [1,0,0,1,0,0|1,0,1]=4 2799 B14R1.167 O=C(O)CC(O)CN[C@@H]1CCC[C@H]1O 269956a_100011218706_200016002552 [1,0,0,1,0,0|2,0,0]=4 2800 B14R1.778 CCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210211 [1,0,0,1,0,0|2,0,0]=4 2801 B14R1.818 CN(CCC1CCCCC1)CC(=O)O 269956a_100000746989_100011273959 [1,0,0,1,0,0|2,0,0]=4 2802 B14R1.818 O=C(O)CC(O)CNC1CCCCC1 269956a_100011218706_100000210327 [1,0,0,1,0,0|1,0,0]=3 2803 B14R1.818 O=C(O)CC(O)CNC1CCCOC1 269956a_100011218706_100000693364 [1,0,0,1,0,0|2,0,0]=4 2804 B14R1.818 O=C(O)CC(O)CNC1CCOCC1 269956a_100011218706_100011324220 [1,0,0,1,0,0|2,0,0]=4 2805 B14R1.818 O=C(O)CC(O)CNC1CCSCC1 269956a_100011218706_100000069128 [1,0,0,1,0,0|2,0,0]=4 2806 B14R1.886 CCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210326 [1,0,0,1,0,0|2,0,0]=4 2807 B14R1.1258 CCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210757 [1,0,0,1,0,0|2,0,0]=4 2808 B14R1.4278 O=C(O)CC(O)CNCCCC1CO1 269956a_100011218706_100000733510 [1,0,0,1,0,0|2,0,0]=4 2809 B14R1.6454 CN(CCCC1CCCC1)CC(=O)O 269956a_100000746989_100011713738 [1,0,0,1,0,0|2,0,0]=4 2810 B14R1.6454 O=C(O)CC(O)CNCC1CCCC1 269956a_100011218706_100000740388 [1,0,0,1,0,0|1,0,0]=3 2811 B14R1.6454 O=C(O)CC(O)CNCC1CCCO1 269956a_100011218706_100000183445 [1,0,0,1,0,0|2,0,0]=4 2812 B14R1.6454 O=C(O)CC(O)CNCC1CCOC1 269956a_100011218706_100011261433 [1,0,0,1,0,0|2,0,0]=4 2813 B14R1.13081 CN(CC(=O)O)CC1CCCCCC1 269956a_100000746989_200000696569 [1,0,0,1,0,0|2,0,0]=4 2814 B14R1.220 CCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210326 [0,0,0,1,1,0|2,0,0]=4 2815 B14R1.899 CCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210211 [0,0,0,1,1,0|2,0,0]=4 2816 B14R1.1375 CCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210211 [0,0,0,1,1,0|2,0,0]=4 2817 B14R1.2354 CCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210757 [0,0,0,1,1,0|2,0,0]=4 2818 B14R1.2455 CCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210326 [0,0,0,1,1,0|2,0,0]=4 2819 B14R1.3218 CC(CNCCC1CCCC1)C(=O)O 269956a_100000749485_100000760354 [0,0,0,1,1,0|2,0,0]=4 2820 B14R1.3218 C[C@H](NCCCC1CCCC1)C(=O)O 269956a_100000743915_100011713738 [0,0,0,1,1,0|2,0,0]=4 2821 B14R1.3218 O=C(O)C(F)CNCCC1CCCC1 269956a_100000084737_100000760354 [0,0,0,1,1,0|2,0,0]=4 2822 B14R1.6449 CC(CNCC1CCCCC1)C(=O)O 269956a_100000749485_100000211423 [0,0,0,1,1,0|2,0,0]=4 2823 B14R1.6449 C[C@H](NCCC1CCCCC1)C(=O)O 269956a_100000743915_100011273959 [0,0,0,1,1,0|2,0,0]=4 2824 B14R1.6449 O=C(O)C(F)CNCC1CCCCC1 269956a_100000084737_100000211423 [0,0,0,1,1,0|2,0,0]=4 2825 B14R1.10030 CC(CNC1CCCCCC1)C(=O)O 269956a_100000749485_100011217769 [0,0,0,1,1,0|2,0,0]=4 2826 B14R1.10030 C[C@H](NCC1CCCCCC1)C(=O)O 269956a_100000743915_200000696569 [0,0,0,1,1,0|2,0,0]=4 2827 B14R1.10030 O=C(O)C(F)CNC1CCCCCC1 269956a_100000084737_100011217769 [0,0,0,1,1,0|2,0,0]=4 2828 B16R1.400 CC(=O)OCC(O)CNC1CCCCC1C 34a_100000211402_200000139349 [0,0,0,1,0,1|2,0,0]=4 2829 B16R1.400 CC(=O)OCC(O)COC1CCCCC1C 34a_100000211207_200000139349 [0,0,0,1,0,1|2,0,0]=4 2830 B16R1.400 CC(=O)OCC(O)COC1CCCCC1C 7a_100000211207_200000139349 [0,0,0,1,0,1|2,0,0]=4 2831 B16R1.1225 CCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210757 [0,0,0,1,0,1|2,0,0]=4 2832 B16R1.1369 CCC1CCCCN1CC(O)COC(=O)C 269982a_100000210034_200000139349 [0,0,0,1,0,1|2,0,0]=4 2833 B16R1.1369 CCC1CCCCN1CC(O)COC(=O)C 34a_100000210034_200000139349 [0,0,0,1,0,1|2,0,0]=4 2834 B16R1.3895 CCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210681 [0,0,0,1,0,1|2,0,0]=4 2835 B16R1.3895 CCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210681 [0,0,0,1,0,1|2,0,0]=4 2836 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210614 [0,0,0,1,0,1|2,0,0]=4 2837 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210614 [0,0,0,1,0,1|1,0,0]=3 2838 B16R1.3895 CCCCOCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000743108 [0,0,0,1,0,1|2,0,0]=4 2839 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCF)O 269956a_100000750407_100015922095 [0,0,0,1,0,1|2,0,0]=4 2840 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCO)O 269956a_100000750407_100000766143 [0,0,0,1,0,1|2,0,0]=4 2841 B16R1.4541 CC(=O)OCC(O)CNCCC1CCCC1 34a_100000739158_200000139349 [0,0,0,1,0,1|2,0,0]=4 2842 B16R1.4541 CC(=O)OCC(O)COCCC1CCCC1 34a_100000749090_200000139349 [0,0,0,1,0,1|2,0,0]=4 2843 B16R1.4541 CC(=O)OCC(O)COCCC1CCCC1 7a_100000749090_200000139349 [0,0,0,1,0,1|2,0,0]=4 2844 B16R1.4541 CC(=O)OCC(O)CSCCC1CCCC1 62a_100000760354_200000139349 [0,0,0,1,0,1|2,0,0]=4 2845 B16R1.4541 CC(=O)OCC(O)CSCCC1CCCC1 62a_200000139349_100000760354 [0,0,0,1,0,1|2,0,0]=4 2846 B16R1.17546 CCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210759 [0,0,0,1,0,1|2,0,0]=4 2847 B16R1.18213 CC(=O)OCC(O)CNCC1CCCCC1 34a_100000210473_200000139349 [0,0,0,1,0,1|2,0,0]=4 2848 B16R1.18213 CC(=O)OCC(O)COCC1CCCCC1 34a_100000212181_200000139349 [0,0,0,1,0,1|2,0,0]=4 2849 B16R1.18213 CC(=O)OCC(O)COCC1CCCCC1 7a_100000212181_200000139349 [0,0,0,1,0,1|2,0,0]=4 2850 B16R1.18213 CC(=O)OCC(O)CSCC1CCCCC1 62a_100000211423_200000139349 [0,0,0,1,0,1|2,0,0]=4 2851 B16R1.18213 CC(=O)OCC(O)CSCC1CCCCC1 62a_200000139349_100000211423 [0,0,0,1,0,1|2,0,0]=4 2852 B16R1.26103 CC(=O)OCC(O)CNC1CCCCCC1 34a_100000210984_200000139349 [0,0,0,1,0,1|2,0,0]=4 2853 B16R1.26103 CC(=O)OCC(O)COC1CCCCCC1 34a_100000210887_200000139349 [0,0,0,1,0,1|2,0,0]=4 2854 B16R1.26103 CC(=O)OCC(O)COC1CCCCCC1 7a_100000210887_200000139349 [0,0,0,1,0,1|2,0,0]=4 2855 B16R1.26103 CC(=O)OCC(O)CSC1CCCCCC1 62a_100011217769_200000139349 [0,0,0,1,0,1|2,0,0]=4 2856 B16R1.26103 CC(=O)OCC(O)CSC1CCCCCC1 62a_200000139349_100011217769 [0,0,0,1,0,1|2,0,0]=4 2857 B16R1.26164 CC(=O)OCC(O)CN1CCCCCCC1 269982a_100000211400_200000139349 [0,0,0,1,0,1|2,0,0]=4 2858 B16R1.26164 CC(=O)OCC(O)CN1CCCCCCC1 34a_100000211400_200000139349 [0,0,0,1,0,1|2,0,0]=4 2859 B16R1.5019 CCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210614 [0,1,0,1,0,0|1,0,0]=3 2860 B16R1.5019 CCCCOCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000743108 [0,1,0,1,0,0|2,0,0]=4 2861 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCF 269956a_100000719201_100015922095 [0,1,0,1,0,0|2,0,0]=4 2862 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCO 269956a_100000719201_100000766143 [0,1,0,1,0,0|2,0,0]=4 2863 B16R1.262 CCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210757 [0,1,0,1,0,0|1,0,0]=3 2864 B16R1.262 CCCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210757 [0,1,0,1,0,0|2,0,0]=4 2865 B16R1.262 CCCCOCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011995733 [0,1,0,1,0,0|2,0,0]=4 2866 B16R1.262 CCCOCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011215938 [0,1,0,1,0,0|2,0,0]=4 2867 B16R1.262 CCOCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100012232248 [0,1,0,1,0,0|2,0,0]=4 2868 B16R1.262 COCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000730899 [0,1,0,1,0,0|2,0,0]=4 2869 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCF 269956a_100015207179_100000729378 [0,1,0,1,0,0|2,0,0]=4 2870 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCO 269956a_100015207179_100000746330 [0,1,0,1,0,0|2,0,0]=4 2871 B16R1.289 CN1CCCCC1CNCC(O)CC(=O)O 269956a_100011218706_100015185383 [0,1,0,1,0,0|1,0,0]=3 2872 B16R1.393 CN1CCCC1CCNCC(O)CC(=O)O 269956a_100011218706_100000005710 [0,1,0,1,0,0|1,0,0]=3 2873 B16R1.642 CCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011214924 [0,1,0,1,0,0|2,0,0]=4 2874 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [0,1,0,1,0,0|2,0,0]=4 2875 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [0,1,0,1,0,0|2,0,0]=4 2876 B16R1.642 CCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100011214924 [0,1,0,1,0,0|2,0,0]=4 2877 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [0,1,0,1,0,0|2,0,0]=4 2878 B16R1.642 CCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210759 [0,1,0,1,0,0|2,0,0]=4 2879 B16R1.642 CCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210759 [0,1,0,1,0,0|2,0,0]=4 2880 B16R1.642 CCCCCCCCNCC1COC(=O)O1 34a_100000229939_100000073702 [0,1,0,1,0,0|2,0,0]=4 2881 B16R1.642 CCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229939_100015307671 [0,1,0,1,0,0|2,0,0]=4 2882 B16R1.642 CCCCCCCCNC[C@H]1COC(=O)N1 34a_100000229939_100015307671 [0,1,0,1,0,0|2,0,0]=4 2883 B16R1.642 CCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210759 [0,1,0,1,0,0|2,0,0]=4 2884 B16R1.642 CCCCCCCCOCC1COC(=O)O1 34a_100000210232_100000073702 [0,1,0,1,0,0|2,0,0]=4 2885 B16R1.642 CCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210232_100015307671 [0,1,0,1,0,0|2,0,0]=4 2886 B16R1.642 CCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210232_100015307671 [0,1,0,1,0,0|2,0,0]=4 2887 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210317 [0,1,0,1,0,0|2,0,0]=4 2888 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000210759_100000073702 [0,1,0,1,0,0|2,0,0]=4 2889 B16R1.642 CCCCCCCCSC[C@H]1COC(=O)N1 62a_100000210759_100015307671 [0,1,0,1,0,0|2,0,0]=4 2890 B16R1.642 CCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210317 [0,1,0,1,0,0|2,0,0]=4 2891 B16R1.6929 O=C(O)CC(O)CNCCC1CCCCC1 269956a_100011218706_100011273959 [0,1,0,1,0,0|0,0,0]=2 2892 B16R1.6929 O=C(O)CC(O)CNCCC1CCOCC1 269956a_100011218706_100011934994 [0,1,0,1,0,0|1,0,0]=3 2893 B16R1.6929 O=C(O)CC(O)CNCCC1OCCCO1 269956a_100011218706_100000764188 [0,1,0,1,0,0|2,0,0]=4 2894 B16R1.6929 O=C(O)CC(O)CNCCN1CCCCC1 269956a_100011218706_100000739454 [0,1,0,1,0,0|1,0,0]=3 2895 B16R1.6929 O=C(O)CC(O)CNCCN1CCOCC1 269956a_100011218706_100000753993 [0,1,0,1,0,0|2,0,0]=4 2896 B16R1.6929 O=C(O)CC(O)CNCOC1CCCCC1 269956a_100011218706_100011935260 [0,1,0,1,0,0|1,0,0]=3 2897 B16R1.6935 O=C(O)CC(O)CNCCCC1CCCC1 269956a_100011218706_100011713738 [0,1,0,1,0,0|0,0,0]=2 2898 B16R1.6935 O=C(O)CC(O)CNCCCC1OCCO1 269956a_100011218706_100000042513 [0,1,0,1,0,0|2,0,0]=4 2899 B16R1.6935 O=C(O)CC(O)CNCCCN1CCCC1 269956a_100011218706_100011445909 [0,1,0,1,0,0|1,0,0]=3 2900 B16R1.8383 CCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210759 [0,1,0,1,0,0|1,0,0]=3 2901 B16R1.8383 COCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100011998445 [0,1,0,1,0,0|2,0,0]=4 2902 B16R1.8383 O=C(O)CC1CN(C1)CCCCCCCO 269956a_100016993960_100000760002 [0,1,0,1,0,0|2,0,0]=4 2903 B16R1.8781 O=C(O)CC(O)CNC1CCCCCC1=O 269956a_100011218706_100000243696 [0,1,0,1,0,0|1,0,1]=4 2904 B16R1.38000 O=C(O)CC(O)CNC1CC/C=C\CCC1 269956a_100011218706_100021000466 [0,1,0,1,0,0|0,0,2]=4 2905 B16R1.58444 O=C(O)CC(O)CNCC1CCCCCC1 269956a_100011218706_200000696569 [0,1,0,1,0,0|0,0,0]=2 2906 B16R1.82 CN1CCCC(C1)CNCC(O)CC(=O)O 269956a_100011218706_100000752043 [0,1,0,1,0,0|2,0,0]=4 2907 B16R1.1546 CCCC(C)CN1CCCC(C1)CC(=O)O 269956a_100015207179_100011216630 [0,1,0,1,0,0|2,0,0]=4 2908 B16R1.26550 CCCCCCC(C)N1CC(C1)CC(=O)O 269956a_100016993960_100011215978 [0,1,0,1,0,0|2,0,0]=4 2909 B16R1.1485 CCCCC(C)N1CCCC(C1)CC(=O)O 269956a_100015207179_200011215066 [0,1,0,1,0,0|2,0,0]=4 2910 B16R1.12276 CC(C)CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011216152 [0,1,0,1,0,0|2,0,0]=4 2911 B16R1.12355 CC(C)CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210682 [0,1,0,1,0,0|2,0,0]=4 2912 B16R1.12425 CC(C)CCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011214892 [0,1,0,1,0,0|2,0,0]=4 2913 B16R1.12425 CC(O)CCCN1CCCC(C1)CC(=O)O 269956a_100015207179_200000718107 [0,1,0,1,0,0|2,0,0]=4 2914 B16R1.18219 O=C(O)CC(O)CNC1CCCCC1(F)F 269956a_100011218706_200009832135 [0,1,0,1,0,0|2,0,0]=4 2915 B16R1.30 CCN1CCC(C1)CNCC(O)CC(=O)O 269956a_100011218706_100015184589 [0,1,0,1,0,0|2,0,0]=4 2916 B16R1.76 CN1CCC(CC1)CNCC(O)CC(=O)O 269956a_100011218706_100015183002 [0,1,0,1,0,0|2,0,0]=4 2917 B16R1.7323 CC(C(=O)O)N(C)CCCC1CCCCC1 269956a_100000749554_100011713725 [0,1,0,1,0,0|2,0,0]=4 2918 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [0,1,0,1,0,0|2,0,0]=4 2919 B16R1.1707 CCCCCC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_200011218191 [0,1,0,1,0,0|2,0,0]=4 2920 B16R1.6934 CC(CNCC(O)CC(=O)O)N1CCCC1 269956a_100011218706_200015187269 [0,1,0,1,0,0|2,0,0]=4 2921 B16R1.27 CCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011214924 [0,1,0,1,0,0|2,0,0]=4 2922 B16R1.2934 CCN(CCCC1CCCCC1)CC(=O)O 269956a_100000746405_100011713725 [0,1,0,1,0,0|2,0,0]=4 2923 B16R1.2934 CC[C@H](CC(=O)O)NCCC1CCCCC1 269956a_100016995926_100011273959 [0,1,0,1,0,0|2,0,0]=4 2924 B16R1.2934 O=C(O)C[C@@H](CO)NCCC1CCCCC1 269956a_100009816507_100011273959 [0,1,0,1,0,0|1,0,0]=3 2925 B16R1.2934 O=C(O)C[C@@H](CO)NCCC1CCOCC1 269956a_100009816507_100011934994 [0,1,0,1,0,0|2,0,0]=4 2926 B16R1.2934 O=C(O)C[C@@H](CO)NCCN1CCCCC1 269956a_100009816507_100000739454 [0,1,0,1,0,0|2,0,0]=4 2927 B16R1.2934 O=C(O)C[C@@H](CO)NCOC1CCCCC1 269956a_100009816507_100011935260 [0,1,0,1,0,0|2,0,0]=4 2928 B16R1.2934 O=C([O-])CN(CO)CCCC1CCCCC1 269956a_100016989150_100011713725 [0,1,0,1,0,0|1,0,1]=4 2929 B16R1.2936 CN1CCCC1CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000005710 [0,1,0,1,0,0|2,0,0]=4 2930 B16R1.3020 CC[C@H](CC(=O)O)NCCCC1CCCC1 269956a_100016995926_100011713738 [0,1,0,1,0,0|2,0,0]=4 2931 B16R1.3020 O=C(O)C[C@@H](CO)NCCCC1CCCC1 269956a_100009816507_100011713738 [0,1,0,1,0,0|1,0,0]=3 2932 B16R1.3020 O=C(O)C[C@@H](CO)NCCCN1CCCC1 269956a_100009816507_100011445909 [0,1,0,1,0,0|2,0,0]=4 2933 B16R1.6625 CN1CCCCC1CN[C@H](CO)CC(=O)O 269956a_100009816507_100015185383 [0,1,0,1,0,0|2,0,0]=4 2934 B16R1.27215 CCCCCCCNCC1(CC1)CC(=O)O 269956a_100020588786_100000210614 [0,1,0,1,0,0|2,0,0]=4 2935 B16R1.94817 CC[C@H](CC(=O)O)NCC1CCCCCC1 269956a_100016995926_200000696569 [0,1,0,1,0,0|2,0,0]=4 2936 B16R1.94817 O=C(O)C[C@@H](CO)NCC1CCCCCC1 269956a_100009816507_200000696569 [0,1,0,1,0,0|1,0,0]=3 2937 B16R1.248 CCCCCCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210314 [0,1,0,1,0,0|2,0,0]=4 2938 B16R1.248 CCCCCCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000210757 [0,1,0,1,0,0|2,0,0]=4 2939 B16R1.849 COC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211351_100011713725 [0,1,0,1,0,0|0,0,2]=4 2940 B16R1.849 COC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000747449 [0,1,0,1,0,0|0,0,2]=4 2941 B16R1.849 COC(=O)CC(C)NCCC1CCCCC1 2230a_100000738074_100009817358 [0,1,0,1,0,0|2,0,0]=4 2942 B16R1.849 COC(=O)CC(C)NCCC1CCCCC1 34a_100000738074_100009817358 [0,1,0,1,0,0|2,0,0]=4 2943 B16R1.849 COC(=O)CC(C)OCCC1CCCCC1 34a_100011217863_100009817358 [0,1,0,1,0,0|2,0,0]=4 2944 B16R1.849 COC(=O)CC(C)OCCC1CCCCC1 7a_100011217863_100009817358 [0,1,0,1,0,0|2,0,0]=4 2945 B16R1.849 COC(=O)CC(C)SCCC1CCCCC1 62a_100009817358_100012355289 [0,1,0,1,0,0|2,0,0]=4 2946 B16R1.849 COC(=O)CC(C)SCCC1CCCCC1 62a_100012355289_100009817358 [0,1,0,1,0,0|2,0,0]=4 2947 B16R1.849 COC(=O)CN(C)CCCC1CCCCC1 2230a_100000198492_100011713725 [0,1,0,1,0,0|2,0,0]=4 2948 B16R1.849 COC(=O)C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100000754131 [0,1,0,1,0,0|1,0,0]=3 2949 B16R1.849 COC(=O)C[C@@H](O)CNCC1CCCCO1 34a_100000174945_100000754131 [0,1,0,1,0,0|2,0,0]=4 2950 B16R1.849 COC(=O)C[C@@H](O)CNCC1CCCOC1 34a_100000720124_100000754131 [0,1,0,1,0,0|2,0,0]=4 2951 B16R1.849 COC(=O)C[C@@H](O)CNCC1CCOCC1 34a_100000746373_100000754131 [0,1,0,1,0,0|2,0,0]=4 2952 B16R1.849 COC(=O)C[C@@H](O)CNCC1CCSCC1 34a_100015188806_100000754131 [0,1,0,1,0,0|2,0,0]=4 2953 B16R1.849 COC(=O)C[C@@H](O)COCC1CCCCC1 34a_100000212181_100000754131 [0,1,0,1,0,0|1,0,0]=3 2954 B16R1.849 COC(=O)C[C@@H](O)COCC1CCCCC1 7a_100000212181_100000754131 [0,1,0,1,0,0|1,0,0]=3 2955 B16R1.849 COC(=O)C[C@@H](O)COCC1CCCCN1 34a_100000210821_100000754131 [0,1,0,1,0,0|2,0,0]=4 2956 B16R1.849 COC(=O)C[C@@H](O)COCC1CCCCO1 34a_100000211370_100000754131 [0,1,0,1,0,0|2,0,0]=4 2957 B16R1.849 COC(=O)C[C@@H](O)COCC1CCCCO1 7a_100000211370_100000754131 [0,1,0,1,0,0|2,0,0]=4 2958 B16R1.849 COC(=O)C[C@@H](O)COCC1CCCNC1 34a_100000211344_100000754131 [0,1,0,1,0,0|2,0,0]=4 2959 B16R1.849 COC(=O)C[C@@H](O)COCC1CCCOC1 34a_100000741520_100000754131 [0,1,0,1,0,0|2,0,0]=4 2960 B16R1.849 COC(=O)C[C@@H](O)COCC1CCNCC1 34a_100000738675_100000754131 [0,1,0,1,0,0|2,0,0]=4 2961 B16R1.849 COC(=O)C[C@@H](O)COCC1CCOCC1 34a_100000749013_100000754131 [0,1,0,1,0,0|2,0,0]=4 2962 B16R1.849 COC(=O)C[C@@H](O)COCC1CCSCC1 34a_100000070558_100000754131 [0,1,0,1,0,0|2,0,0]=4 2963 B16R1.849 COC(=O)C[C@@H](O)COCC1CCSCC1 7a_100000070558_100000754131 [0,1,0,1,0,0|2,0,0]=4 2964 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100000754131 [0,1,0,1,0,0|1,0,0]=3 2965 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCCCC1 62a_100000754131_100000211423 [0,1,0,1,0,0|1,0,0]=3 2966 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCCCO1 62a_100000211543_100000754131 [0,1,0,1,0,0|2,0,0]=4 2967 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCCCO1 62a_100000754131_100000211543 [0,1,0,1,0,0|2,0,0]=4 2968 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCCOC1 62a_100000741521_100000754131 [0,1,0,1,0,0|2,0,0]=4 2969 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCCOC1 62a_100000754131_100000741521 [0,1,0,1,0,0|2,0,0]=4 2970 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCOCC1 62a_100000754131_100000749018 [0,1,0,1,0,0|2,0,0]=4 2971 B16R1.849 COC(=O)C[C@@H](O)CSCC1CCOCC1 62a_100000754603_100000754131 [0,1,0,1,0,0|2,0,0]=4 2972 B16R1.853 COC(=O)C[C@@H](O)CNC1CCCCC1C 34a_100000211402_100000754131 [0,1,0,1,0,0|1,0,0]=3 2973 B16R1.853 COC(=O)C[C@@H](O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000754131 [0,1,0,1,0,0|2,0,0]=4 2974 B16R1.853 COC(=O)C[C@@H](O)COC1CCCCC1C 34a_100000211207_100000754131 [0,1,0,1,0,0|1,0,0]=3 2975 B16R1.853 COC(=O)C[C@@H](O)COC1CCCCC1C 7a_100000211207_100000754131 [0,1,0,1,0,0|1,0,0]=3 2976 B16R1.853 COC(=O)C[C@@H](O)COC1CCCCC1Cl 34a_100000038908_100000754131 [0,1,0,1,0,0|2,0,0]=4 2977 B16R1.853 COC(=O)C[C@@H](O)COC1CCCCC1Cl 7a_100000038908_100000754131 [0,1,0,1,0,0|2,0,0]=4 2978 B16R1.853 COC(=O)C[C@@H](O)COC1CCNCC1C 34a_100011998114_100000754131 [0,1,0,1,0,0|2,0,0]=4 2979 B16R1.853 COC(=O)C[C@@H](O)COC1CNCCC1C 34a_100000696640_100000754131 [0,1,0,1,0,0|2,0,0]=4 2980 B16R1.853 COC(=O)C[C@@H](O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000754131 [0,1,0,1,0,0|2,0,0]=4 2981 B16R1.853 COC(=O)C[C@@H](O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000754131 [0,1,0,1,0,0|2,0,0]=4 2982 B16R1.853 COC(=O)C[C@@H](O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000754131 [0,1,0,1,0,0|2,0,0]=4 2983 B16R1.853 COC(=O)C[C@@H](O)CSC1CCCCC1F 62a_100000754131_100015423560 [0,1,0,1,0,0|2,0,0]=4 2984 B16R1.853 COC(=O)C[C@@H](O)CSC1CCCCC1F 62a_100015423560_100000754131 [0,1,0,1,0,0|2,0,0]=4 2985 B16R1.853 COC(=O)C[C@@H](O)CSC1CCCCC1O 62a_100000038908_100000754131 [0,1,0,1,0,0|2,0,0]=4 2986 B16R1.853 COC(=O)C[C@@H](O)CSC1CCCCC1O 62a_100000754131_100000038908 [0,1,0,1,0,0|2,0,0]=4 2987 B16R1.863 COC(=O)CC(C)NCCCC1CCCC1 2230a_100000736752_100009817358 [0,1,0,1,0,0|2,0,0]=4 2988 B16R1.863 COC(=O)CC(C)NCCCC1CCCC1 34a_100000736752_100009817358 [0,1,0,1,0,0|2,0,0]=4 2989 B16R1.863 COC(=O)CC(C)OCCCC1CCCC1 34a_100011215328_100009817358 [0,1,0,1,0,0|2,0,0]=4 2990 B16R1.863 COC(=O)CC(C)OCCCC1CCCC1 7a_100011215328_100009817358 [0,1,0,1,0,0|2,0,0]=4 2991 B16R1.863 COC(=O)CC(C)SCCCC1CCCC1 62a_100009817358_100011713738 [0,1,0,1,0,0|2,0,0]=4 2992 B16R1.863 COC(=O)CC(C)SCCCC1CCCC1 62a_100011713738_100009817358 [0,1,0,1,0,0|2,0,0]=4 2993 B16R1.863 COC(=O)C[C@@H](O)CNCCC1CCCC1 34a_100000739158_100000754131 [0,1,0,1,0,0|1,0,0]=3 2994 B16R1.863 COC(=O)C[C@@H](O)COCCC1CCCC1 34a_100000749090_100000754131 [0,1,0,1,0,0|1,0,0]=3 2995 B16R1.863 COC(=O)C[C@@H](O)COCCC1CCCC1 7a_100000749090_100000754131 [0,1,0,1,0,0|1,0,0]=3 2996 B16R1.863 COC(=O)C[C@@H](O)COCCC1CCNC1 34a_100016987287_100000754131 [0,1,0,1,0,0|2,0,0]=4 2997 B16R1.863 COC(=O)C[C@@H](O)COCCC1CCOC1 34a_100011879284_100000754131 [0,1,0,1,0,0|2,0,0]=4 2998 B16R1.863 COC(=O)C[C@@H](O)CSCCC1CCCC1 62a_100000754131_100000760354 [0,1,0,1,0,0|1,0,0]=3 2999 B16R1.863 COC(=O)C[C@@H](O)CSCCC1CCCC1 62a_100000760354_100000754131 [0,1,0,1,0,0|1,0,0]=3 3000 B16R1.863 COC(=O)C[C@@H](O)CSCCN1CCCC1 62a_100000700749_100000754131 [0,1,0,1,0,0|2,0,0]=4 3001 B16R1.863 COC(=O)C[C@@H](O)CSCCN1CCCC1 62a_100000754131_100000004467 [0,1,0,1,0,0|2,0,0]=4 3002 B16R1.1411 CCCCCN1CCCC(C1)CC(=O)OC 2230a_100016989293_100000210326 [0,1,0,1,0,0|2,0,0]=4 3003 B16R1.1411 CCCCCN1CCCC(C1)CC(=O)OC 269982a_100016989293_100000210215 [0,1,0,1,0,0|2,0,0]=4 3004 B16R1.1411 CCCCOC1CCCC(C1)CC(=O)OC 7a_200010992784_100000210211 [0,1,0,1,0,0|2,0,0]=4 3005 B16R1.5014 CCCCCCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210681 [0,1,0,1,0,0|2,0,0]=4 3006 B16R1.5594 CCC1CCCCC1OC(C)CC(=O)OC 34a_100000210738_100009817358 [0,1,0,1,0,0|2,0,0]=4 3007 B16R1.5594 CCC1CCCCC1OC(C)CC(=O)OC 7a_100000210738_100009817358 [0,1,0,1,0,0|2,0,0]=4 3008 B16R1.5594 CCC1CCCCN1C[C@H](O)CC(=O)OC 34a_100000210034_100000754131 [0,1,0,1,0,0|1,0,0]=3 3009 B16R1.5594 CC[C@H]1COCCN1C[C@H](O)CC(=O)OC 34a_100016988097_100000754131 [0,1,0,1,0,0|2,0,0]=4 3010 B16R1.5594 COC(=O)C[C@@H](O)CN1CCCCC1CO 34a_100000210821_100000754131 [0,1,0,1,0,0|2,0,0]=4 3011 B16R1.13411 CCCC1CCCCC1N(C)CC(=O)OC 270004a_100000198492_100011218038 [0,1,0,1,0,0|2,0,0]=4 3012 B16R1.13411 CCCC1CCCCN1C(C)CC(=O)OC 2230a_100000701414_100009817358 [0,1,0,1,0,0|2,0,0]=4 3013 B16R1.13411 CCCC1CCCCN1C(C)CC(=O)OC 269982a_100000701414_100009817358 [0,1,0,1,0,0|2,0,0]=4 3014 B16R1.13411 CCCC1CCCCN1C(C)CC(=O)OC 34a_100000701414_100009817358 [0,1,0,1,0,0|2,0,0]=4 3015 B16R1.13597 COC[C@@H]1CCCN1C[C@H](O)CC(=O)OC 34a_100020646714_100000754131 [0,1,0,1,0,0|2,0,0]=4 3016 B16R1.14725 COC(=O)CC(C)N1CCCCCCCC1 2230a_100000039187_100009817358 [0,1,0,1,0,0|2,0,0]=4 3017 B16R1.14725 COC(=O)CC(C)N1CCCCCCCC1 269982a_100000039187_100009817358 [0,1,0,1,0,0|2,0,0]=4 3018 B16R1.14725 COC(=O)CC(C)N1CCCCCCCC1 34a_100000039187_100009817358 [0,1,0,1,0,0|2,0,0]=4 3019 B16R1.14725 COC(=O)CN(C)C1CCCCCCCC1 270004a_100000198492_100000038600 [0,1,0,1,0,0|2,0,0]=4 3020 B16R1.14752 COC(=O)CC(C)NCC1CCCCCC1 2230a_100015204231_100009817358 [0,1,0,1,0,0|2,0,0]=4 3021 B16R1.14752 COC(=O)CC(C)NCC1CCCCCC1 34a_100015204231_100009817358 [0,1,0,1,0,0|2,0,0]=4 3022 B16R1.14752 COC(=O)CC(C)OCC1CCCCCC1 34a_100000699130_100009817358 [0,1,0,1,0,0|2,0,0]=4 3023 B16R1.14752 COC(=O)CC(C)OCC1CCCCCC1 7a_100000699130_100009817358 [0,1,0,1,0,0|2,0,0]=4 3024 B16R1.14752 COC(=O)CC(C)SCC1CCCCCC1 62a_100009817358_200000696569 [0,1,0,1,0,0|2,0,0]=4 3025 B16R1.14752 COC(=O)CC(C)SCC1CCCCCC1 62a_200000696569_100009817358 [0,1,0,1,0,0|2,0,0]=4 3026 B16R1.14752 COC(=O)C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100000754131 [0,1,0,1,0,0|1,0,0]=3 3027 B16R1.14752 COC(=O)C[C@@H](O)COC1CCCCCC1 34a_100000210887_100000754131 [0,1,0,1,0,0|1,0,0]=3 3028 B16R1.14752 COC(=O)C[C@@H](O)COC1CCCCCC1 7a_100000210887_100000754131 [0,1,0,1,0,0|1,0,0]=3 3029 B16R1.14752 COC(=O)C[C@@H](O)CSC1CCCCCC1 62a_100000754131_100011217769 [0,1,0,1,0,0|1,0,0]=3 3030 B16R1.14752 COC(=O)C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100000754131 [0,1,0,1,0,0|1,0,0]=3 3031 B16R1.14929 COC(=O)CC(C)NC1CCCCCCC1 2230a_100000211152_100009817358 [0,1,0,1,0,0|2,0,0]=4 3032 B16R1.14929 COC(=O)CC(C)NC1CCCCCCC1 34a_100000211152_100009817358 [0,1,0,1,0,0|2,0,0]=4 3033 B16R1.14929 COC(=O)CC(C)OC1CCCCCCC1 34a_100000210054_100009817358 [0,1,0,1,0,0|2,0,0]=4 3034 B16R1.14929 COC(=O)CC(C)OC1CCCCCCC1 7a_100000210054_100009817358 [0,1,0,1,0,0|2,0,0]=4 3035 B16R1.14929 COC(=O)C[C@@H](O)CN1CCCCCCC1 34a_100000211400_100000754131 [0,1,0,1,0,0|1,0,0]=3 3036 B16R1.15621 CCCCC1CCCC1N(C)CC(=O)OC 270004a_100000198492_100000750825 [0,1,0,1,0,0|2,0,0]=4 3037 B16R1.17220 COC(=O)C[C@@H](O)COCC1CCCN1C 34a_100000743107_100000754131 [0,1,0,1,0,0|2,0,0]=4 3038 B16R1.17553 CCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011214924 [0,1,0,1,0,0|2,0,0]=4 3039 B16R1.12443 CC(C)(CC(=O)O)NCCCC1CCCC1 269956a_100000755897_100011713738 [0,1,0,1,0,0|2,0,0]=4 3040 B16R1.18143 CC(C)(CC(=O)O)NCCC1CCCCC1 269956a_100000755897_100011273959 [0,1,0,1,0,0|2,0,0]=4 3041 B16R1.58330 CC(C)(CC(=O)O)NCC1CCCCCC1 269956a_100000755897_200000696569 [0,1,0,1,0,0|2,0,0]=4 3042 B16R2.79391 O=C(O)CC(O)CNC1CC2CCC1C2 269956a_100011218706_100000727232 [0,0,0,2,0,0|1,0,0]=3 3043 B16R2.145233 O=C(O)CC(O)CNC1C2CCC1CC2 269956a_100011218706_100009813300 [0,0,0,2,0,0|1,0,0]=3 3044 B16R2.157 O=C(O)CC1CCN(C1)C2CCCCC2 269956a_100000719201_100000210327 [0,0,0,2,0,0|2,0,0]=4 3045 B16R2.1332 O=C(O)CC1CCN(C1)CC2CCCC2 269956a_100000719201_100000740388 [0,0,0,2,0,0|2,0,0]=4 3046 B16R2.159 O=C(O)CC1CCCN(C1)C2CCCC2 269956a_100015207179_100000179811 [0,0,0,2,0,0|2,0,0]=4 3047 B16R2.34981 O=C(O)CC1CCCN(C1)CCC2CC2 269956a_100015207179_100000694398 [0,0,0,2,0,0|2,0,0]=4 3048 B16R2.34984 O=C(O)CC1CCCN(C1)CC2CCC2 269956a_100015207179_100000763275 [0,0,0,2,0,0|2,0,0]=4 3049 B16R2.468 O=C(O)CC1CN(C1)CC2CCCCC2 269956a_100016993960_100000211423 [0,0,0,2,0,0|2,0,0]=4 3050 B16R2.27699 O=C(O)CC1CN(C1)CCC2CCCC2 269956a_100016993960_100000760354 [0,0,0,2,0,0|2,0,0]=4 3051 B16R2.143496 O=C(O)CC1CN(C1)C2CCCCCC2 269956a_100016993960_100011217769 [0,0,0,2,0,0|2,0,0]=4 3052 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [1,0,0,0,1,0|1,0,0]=3 3053 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [1,0,0,0,1,0|1,0,0]=3 3054 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [1,0,0,0,1,0|2,0,0]=4 3055 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [1,0,0,0,1,0|2,0,0]=4 3056 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [1,0,0,0,1,0|2,0,0]=4 3057 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [0,0,0,0,0,2|2,0,0]=4 3058 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [0,0,0,0,0,2|2,0,0]=4 3059 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [0,0,0,0,0,2|2,0,0]=4 3060 B16R0.297 CCCCCCCCCC(C)OCOC(=O)C 34a_100011218016_100009813279 [0,0,0,0,0,2|2,0,0]=4 3061 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [0,0,0,0,0,2|2,0,0]=4