0 B14R1.26 CCCCCCCN1CCCC(C1)F AIFCHEM-94589462432 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.26 CCCCCCNC1CCC[C@H](C1)C AIFCHEM-94588392353 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.26 CCOCCCNC1CCNC(=O)C1 AIFCHEM-6273526461 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.28 CCCCCNCC1CCCOC1 AIFCHEM-94551424088 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.28 CCCCCNCC1COCCO1 AIFCHEM-94551424360 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.28 CCCCCNC[C@@H]1COCCO1 AIFCHEM-94551427439 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.28 CCCCCNC[C@H]1COCCO1 AIFCHEM-94551427440 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.28 CSCCCNCC1CCCCO1 AIFCHEM-94560317760 [1,0,0,0,0,0|2,0,1]=4 8 B15R1.106 CCCCCCCNC1CCNC(=O)C1 AIFCHEM-94589453412 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.129 CCCCNC(=O)CC1CCCC(=O)C1 AIFCHEM-5751718431 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.12030 CCCCCCNC1CCCS(=O)(=O)C1 AIFCHEM-94573534091 [0,1,0,0,0,0|3,0,0]=4 11 B15R1.12032 CCCCCCCN1CCN(C(=O)C1)C AIFCHEM-94607129821 [0,1,0,0,0,0|3,0,0]=4 12 B13R0.2 CCCCCCCCNC(C)CCC AIFCHEM-94561930771 [0,0,1,0,0,0|2,0,1]=4 13 B13R0.2 CCCCCCCCN[C@@H](C)CCC AIFCHEM-5637835864 [0,0,1,0,0,0|2,0,1]=4 14 B13R0.2 CCCCCCCCN[C@H](C)CCC AIFCHEM-6053891910 [0,0,1,0,0,0|2,0,1]=4 15 B13R0.2 CCCCOCCCNC(=O)CCO AIFCHEM-5965644850 [0,0,1,0,0,0|3,0,0]=4 16 B13R0.2 CCCCOCCCNC(=O)COC AIFCHEM-5977700883 [0,0,1,0,0,0|3,0,0]=4 17 B13R0.2 CCCCOCCCNC(=O)CSC AIFCHEM-5958853840 [0,0,1,0,0,0|3,0,0]=4 18 B13R0.54 CCCCCCCCCCNC(=O)C AIFCHEM-5668725669 [0,0,1,0,0,0|2,0,0]=3 19 B13R0.54 CCCCCCCCNCCC(=O)O AIFCHEM-5851067362 [0,0,1,0,0,0|1,0,0]=2 20 B13R0.54 CCCCCNCCCCCC(=O)O AIFCHEM-94551433158 [0,0,1,0,0,0|1,0,0]=2 21 B13R0.54 CCCCCNCCCCNC(=O)C AIFCHEM-94551434528 [0,0,1,0,0,0|3,0,0]=4 22 B13R0.54 CCCCNCCCCCCC(=O)O AIFCHEM-94523043521 [0,0,1,0,0,0|1,0,0]=2 23 B13R0.54 CCCNCCCCCCNC(=O)O AIFCHEM-94569012518 [0,0,1,0,0,0|2,0,0]=3 24 B13R0.54 O=C(O)CCCCCCCNCCF AIFCHEM-5853572975 [0,0,1,0,0,0|2,0,0]=3 25 B13R0.54 O=C(O)CCCCNCCOCCO AIFCHEM-5614070750 [0,0,1,0,0,0|3,0,0]=4 26 B13R0.274 CCCCCCNC(C)CC(=O)NC AIFCHEM-94602595243 [0,0,1,0,0,0|3,0,0]=4 27 B13R0.274 CCCCCCNC(C)CC(=O)OC AIFCHEM-94575431688 [0,0,1,0,0,0|3,0,0]=4 28 B15R2.31 O=C1CN(CCN1)CC2CCCCC2 AIFCHEM-5764655742 [0,0,0,1,0,0|3,0,0]=4 29 B13R1.27 CCCCCNCC1CNC(=O)C1 AIFCHEM-94551426681 [0,0,0,0,1,0|3,0,0]=4 30 B13R1.654 CCCCNCCC1CCCN1C AIFCHEM-94523038598 [0,0,0,0,1,0|3,0,0]=4 31 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 AIFCHEM-94519745005 [0,0,0,0,0,1|3,0,0]=4 32 B12R0.5 CCCCCCCCCNCCC AIFCHEM-94521366521 [1,0,1,0,0,0|2,0,0]=4 33 B12R0.5 CCCCCCCCNCCCC AIFCHEM-5745169315 [1,0,1,0,0,0|1,0,1]=4 34 B12R0.5 CCCCCCCCNCOC=O AIFCHEM-94595103866 [1,0,1,0,0,0|2,0,0]=4 35 B12R0.5 CCCCCCCNCCCCO AIFCHEM-94589452018 [1,0,1,0,0,0|1,0,1]=4 36 B12R0.5 CCNCCCCCCCCCO AIFCHEM-94537412076 [1,0,1,0,0,0|1,0,1]=4 37 B12R0.248 CCCCCNCCNC(=O)CC AIFCHEM-94532522439 [1,0,1,0,0,0|2,0,0]=4 38 B12R0.248 CCCCOCCCNC(=O)CC AIFCHEM-94526503265 [1,0,1,0,0,0|2,0,0]=4 39 B12R0.234 CCCCCNCCCCC(=O)N AIFCHEM-94551439220 [1,0,1,0,0,0|2,0,0]=4 40 B12R0.234 CCNCCCCCCCC(=O)O AIFCHEM-94537411212 [1,0,1,0,0,0|1,0,0]=3 41 B12R0.234 CSCCCNCCCCC(=O)O AIFCHEM-94585280802 [1,0,1,0,0,0|2,0,0]=4 42 B14R0.181 CCCCCCCCNC(=O)C(O)CC AIFCHEM-94578171731 [0,1,1,0,0,0|1,0,0]=3 43 B14R0.181 CCCCCCCCNC(=O)[C@@H](O)CC AIFCHEM-94561942422 [0,1,1,0,0,0|1,0,0]=3 44 B14R0.181 CCCCCCCCNC(=O)[C@H](O)CC AIFCHEM-5796343854 [0,1,1,0,0,0|1,0,0]=3 45 B14R0.391 CCCCOCCCNC(=O)CC(C)O AIFCHEM-5977806162 [0,1,1,0,0,0|2,0,0]=4 46 B14R0.391 CCCCOCCCNC(=O)C[C@@H](C)O AIFCHEM-5928536860 [0,1,1,0,0,0|2,0,0]=4 47 B14R0.393 CCCCCCCCCNC(=O)COC AIFCHEM-6092173892 [0,1,1,0,0,0|2,0,0]=4 48 B14R0.393 CCCNCCCCCCC(=O)OCC AIFCHEM-5853111548 [0,1,1,0,0,0|2,0,0]=4 49 B14R0.493 C/C=C/CC(=O)NCCCCCCCC AIFCHEM-5796875285 [0,1,1,0,0,0|1,0,1]=4 50 B14R0.2 CCCCCCCN(C)CCCC(=O)O AIFCHEM-94596082986 [0,1,1,0,0,0|1,0,0]=3 51 B14R0.2 CCCCCCNC(C)CCCC(=O)O AIFCHEM-94571764449 [0,1,1,0,0,0|1,0,0]=3 52 B14R0.2 CCOCCCNC(C)CCCC(=O)O AIFCHEM-6286263806 [0,1,1,0,0,0|2,0,0]=4 53 B14R0.68 CC(C)CNCCCCCCNC(=O)O AIFCHEM-94572974772 [0,1,1,0,0,0|2,0,0]=4 54 B14R0.153 CSCCC(C)NCCCCCC(=O)O AIFCHEM-94574977008 [0,1,1,0,0,0|2,0,0]=4 55 B14R0.231 CCCCNC(C)CCCCCC(=O)O AIFCHEM-94570970735 [0,1,1,0,0,0|1,0,0]=3 56 B14R0.231 CSCCNC(C)CCCCCC(=O)O AIFCHEM-5813640297 [0,1,1,0,0,0|2,0,0]=4 57 B14R0.305 CC(CO)NCCCCCCCC(=O)O AIFCHEM-5836026934 [0,1,1,0,0,0|2,0,0]=4 58 B14R0.305 CCN(C)CCCCCCCCC(=O)O AIFCHEM-6098109406 [0,1,1,0,0,0|1,0,0]=3 59 B14R0.305 C[C@@H](CO)NCCCCCCCC(=O)O AIFCHEM-6463201572 [0,1,1,0,0,0|2,0,0]=4 60 B14R0.305 C[C@H](CO)NCCCCCCCC(=O)O AIFCHEM-6394490914 [0,1,1,0,0,0|2,0,0]=4 61 B14R0.305 O=C(O)CCCCCCNCC(O)CO AIFCHEM-5700515970 [0,1,1,0,0,0|2,0,0]=4 62 B14R0.305 O=C(O)CCCCCCNC[C@H](O)CO AIFCHEM-94590570140 [0,1,1,0,0,0|2,0,0]=4 63 B14R0.337 CCCCCCCCCCNC(=O)CO AIFCHEM-94532679604 [0,1,1,0,0,0|1,0,0]=3 64 B14R0.337 CCCCCCCCNCCC(=O)OC AIFCHEM-6150288241 [0,1,1,0,0,0|1,0,0]=3 65 B14R0.337 COC(=O)CCCCCNCCCCO AIFCHEM-6511678896 [0,1,1,0,0,0|2,0,0]=4 66 B14R0.337 COC(=O)CCCCCNCCCSC AIFCHEM-94546178756 [0,1,1,0,0,0|2,0,0]=4 67 B14R0.337 COC(=O)CCCCNCCCCCO AIFCHEM-5594786741 [0,1,1,0,0,0|2,0,0]=4 68 B14R0.337 COCCCNCCCCCC(=O)OC AIFCHEM-94598890710 [0,1,1,0,0,0|2,0,0]=4 69 B14R0.340 CCCCCCCCCCN(C)C(=O)C AIFCHEM-94561128121 [0,1,1,0,0,0|2,0,0]=4 70 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)N AIFCHEM-5750254355 [0,1,1,0,0,0|2,0,0]=4 71 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N AIFCHEM-5899480091 [0,1,1,0,0,0|2,0,0]=4 72 B14R0.394 CCCCCCCCCCNCC(=O)O AIFCHEM-5890255374 [0,1,1,0,0,0|0,0,0]=2 73 B14R0.394 CCCCCCCCCCNCC(C)O AIFCHEM-6483545755 [0,1,1,0,0,0|1,0,1]=4 74 B14R0.394 CCCCCCCCCCNC[C@@H](C)O AIFCHEM-6491354541 [0,1,1,0,0,0|1,0,1]=4 75 B14R0.394 CCCCCCCCCCNC[C@H](C)O AIFCHEM-6493101068 [0,1,1,0,0,0|1,0,1]=4 76 B14R0.394 CCCCCCCCCNCCC(=O)N AIFCHEM-5933326551 [0,1,1,0,0,0|1,0,0]=3 77 B14R0.394 CCCCCCCCCNCCC(=O)O AIFCHEM-5846252891 [0,1,1,0,0,0|0,0,0]=2 78 B14R0.394 CCCCCCCCCNCCC(C)O AIFCHEM-94577732733 [0,1,1,0,0,0|1,0,1]=4 79 B14R0.394 CCCCCCCCCNCC[C@H](C)O AIFCHEM-94544710999 [0,1,1,0,0,0|1,0,1]=4 80 B14R0.394 CCCCCCCCNCCCC(=O)N AIFCHEM-5892489652 [0,1,1,0,0,0|1,0,0]=3 81 B14R0.394 CCCCCCCCNCCCC(=O)O AIFCHEM-5644044530 [0,1,1,0,0,0|0,0,0]=2 82 B14R0.394 CCCCCCCNCCCCC(=O)N AIFCHEM-94589465179 [0,1,1,0,0,0|1,0,0]=3 83 B14R0.394 CCCCCCCNCCCCC(=O)O AIFCHEM-94589461216 [0,1,1,0,0,0|0,0,0]=2 84 B14R0.394 CCCCCCCNCCOCC(=O)O AIFCHEM-94563712385 [0,1,1,0,0,0|1,0,0]=3 85 B14R0.394 CCCCCNCCCCCCC(=O)O AIFCHEM-94596321006 [0,1,1,0,0,0|0,0,0]=2 86 B14R0.394 CCCCCNCCCCCNC(=O)C AIFCHEM-94551431731 [0,1,1,0,0,0|2,0,0]=4 87 B14R0.394 CCCCNCCCCCCCC(=O)O AIFCHEM-94557839785 [0,1,1,0,0,0|0,0,0]=2 88 B14R0.394 CCCCNCCCCCCSC(=O)C AIFCHEM-94523044047 [0,1,1,0,0,0|2,0,0]=4 89 B14R0.394 CCCCNCCOCCOCC(=O)O AIFCHEM-94520999056 [0,1,1,0,0,0|2,0,0]=4 90 B14R0.394 CCCNCCCCCCCCC(=O)O AIFCHEM-94521368549 [0,1,1,0,0,0|0,0,0]=2 91 B14R0.394 CCCNCCOCCOCCC(=O)O AIFCHEM-94569022572 [0,1,1,0,0,0|2,0,0]=4 92 B14R0.394 CCNCCCCCCCCCC(=O)O AIFCHEM-94537414373 [0,1,1,0,0,0|0,0,0]=2 93 B14R0.394 COCCNCCCCCCCC(=O)O AIFCHEM-6057974995 [0,1,1,0,0,0|1,0,0]=3 94 B14R0.394 CSCCCNCCCCCCC(=O)O AIFCHEM-94546192373 [0,1,1,0,0,0|1,0,0]=3 95 B14R0.394 CSCCNCCCCCCCC(=O)O AIFCHEM-94598924875 [0,1,1,0,0,0|1,0,0]=3 96 B14R0.394 O=C(O)CCCCCCCCNCCF AIFCHEM-5800607137 [0,1,1,0,0,0|1,0,0]=3 97 B14R0.394 O=C(O)CCCCCCCCNCCO AIFCHEM-6463308944 [0,1,1,0,0,0|1,0,0]=3 98 B14R0.394 O=C(O)CCCCCCCNCCCO AIFCHEM-94523166543 [0,1,1,0,0,0|1,0,0]=3 99 B14R0.394 O=C(O)CCCCCNCCCCCO AIFCHEM-5895397361 [0,1,1,0,0,0|1,0,0]=3 100 B14R0.394 O=C(O)CCCCCNCCOCCO AIFCHEM-94574975656 [0,1,1,0,0,0|2,0,0]=4 101 B14R0.394 O=C(O)CCOCCNCCCCCO AIFCHEM-5894800863 [0,1,1,0,0,0|2,0,0]=4 102 B14R0.2224 CC(CCCCC(=O)O)NCCCCO AIFCHEM-6511639593 [0,1,1,0,0,0|2,0,0]=4 103 B14R1.123 CCCCCCCNC1CCCOC1 AIFCHEM-94589461794 [1,1,0,0,0,0|2,0,0]=4 104 B14R1.123 CCCCCCCN[C@@H]1CCCOC1 AIFCHEM-94588264497 [1,1,0,0,0,0|2,0,0]=4 105 B14R1.123 CCCCCCCN[C@H]1CCCOC1 AIFCHEM-94589451284 [1,1,0,0,0,0|2,0,0]=4 106 B16R1.26544 CCCCCCC(C)N1CCCNC(=O)C1 AIFCHEM-5725893834 [0,1,0,0,0,1|2,0,0]=4 107 B14R1.6816 CCCCCCCCNC(=O)C1CC1 AIFCHEM-5797139085 [0,0,1,1,0,0|1,0,0]=3 108 B14R1.7119 O=C(CCO)N1CCCCCCCC1 AIFCHEM-94559701183 [0,0,1,1,0,0|2,0,0]=4 109 B14R1.7146 CSCC(=O)NCC1CCCCCC1 AIFCHEM-94532091361 [0,0,1,1,0,0|2,0,0]=4 110 B14R1.159 O=C(O)CCCNC1CCCCC1O AIFCHEM-5635257082 [0,0,1,1,0,0|2,0,0]=4 111 B14R1.427 O=C(O)CCCCCNC1CCCC1 AIFCHEM-94541529104 [0,0,1,1,0,0|1,0,0]=3 112 B14R1.427 O=C(O)CCCCNCC1CCOC1 AIFCHEM-5638931572 [0,0,1,1,0,0|2,0,0]=4 113 B14R1.427 O=C(O)COCCNCC1CCCC1 AIFCHEM-6230790821 [0,0,1,1,0,0|2,0,0]=4 114 B14R1.651 CCCCN1CCCCCC1C(=O)O AIFCHEM-94523038700 [0,0,1,1,0,0|1,0,0]=3 115 B14R1.903 CCCCCN1CCCCC1C(=O)N AIFCHEM-94559972644 [0,0,1,1,0,0|2,0,0]=4 116 B14R1.903 CCCCCN1CCOCC1C(=O)O AIFCHEM-94534968145 [0,0,1,1,0,0|2,0,0]=4 117 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O AIFCHEM-94551424436 [0,0,1,1,0,0|2,0,0]=4 118 B14R1.903 CCCCCN1CCOC[C@H]1C(=O)O AIFCHEM-94600394822 [0,0,1,1,0,0|2,0,0]=4 119 B14R1.903 CCCCCN1CCSCC1C(=O)O AIFCHEM-94551439191 [0,0,1,1,0,0|2,0,0]=4 120 B14R1.4521 O=C(O)CCCCCNCC1CCC1 AIFCHEM-94574976757 [0,0,1,1,0,0|1,0,0]=3 121 B14R1.6343 O=C(O)CCCNC1CCCCCC1 AIFCHEM-94529614221 [0,0,1,1,0,0|1,0,0]=3 122 B14R1.6343 O=C(O)NCCNC1CCCCCC1 AIFCHEM-94529603414 [0,0,1,1,0,0|2,0,0]=4 123 B14R1.68 CCCCN1CCC(CC1)NC(=O)C AIFCHEM-94523039464 [0,0,1,1,0,0|2,0,0]=4 124 B14R1.68 CCCNC1CCC(CC1)NC(=O)C AIFCHEM-5875432232 [0,0,1,1,0,0|2,0,0]=4 125 B16R2.93905 O=C1CN(CCCN1)C2CCCCCC2 AIFCHEM-94529619133 [0,0,0,1,0,1|2,0,0]=4 126 B16R2.168 CCC1CCCC1NC2CCNC(=O)C2 AIFCHEM-5806446065 [0,1,0,1,0,0|2,0,0]=4 127 B12R1.37 CCCCCNCC1CCCC1 AIFCHEM-94551434958 [1,0,0,0,1,0|1,0,1]=4