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CCN(CCSC)C(=O)[C@H](C)O AIFCHEM-97749943761 [0,1,1,0,0,0|1,0,1]=4 70 B11R1.110 CCCN1CCOC[C@@H](C1)O AIFCHEM-94569008579 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.110 CCCN1CCOC[C@H](C1)O AIFCHEM-94569011999 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.135 CCCN1CCNC(=O)CC1 AIFCHEM-94569015196 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.203 CCNCC1CCCCCC1 AIFCHEM-94532085883 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.20 CC(C)CN1CCS(=O)CC1 AIFCHEM-94572984528 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.86 CC(C)CN1CCOCC1C AIFCHEM-94530733258 [0,1,0,0,1,0|2,0,0]=4 76 B11R1.86 CC(C)CN1CCOC[C@@H]1C AIFCHEM-94572979919 [0,1,0,0,1,0|2,0,0]=4 77 B11R1.86 CC(C)CN1CCOC[C@H]1C AIFCHEM-94572986901 [0,1,0,0,1,0|2,0,0]=4 78 B11R1.157 CC(C)CN1CCOC(C1)C AIFCHEM-94572978921 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.157 CC(C)CN1CCO[C@@H](C1)C AIFCHEM-94572975927 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.157 CC(C)CN1CCO[C@H](C1)C AIFCHEM-94572971762 [0,1,0,0,1,0|2,0,0]=4 81 B13R1.1711 COC(C)CNC1CCCCCC1 AIFCHEM-94529615993 [0,1,0,0,0,1|1,0,0]=3 82 B13R1.1711 CO[C@@H](C)CNC1CCCCCC1 AIFCHEM-94529618253 [0,1,0,0,0,1|1,0,0]=3 83 B13R1.1711 CO[C@H](C)CNC1CCCCCC1 AIFCHEM-94608839728 [0,1,0,0,0,1|1,0,0]=3 84 B13R1.1711 CSC(C)CCN1CCCOCC1 AIFCHEM-5789736043 [0,1,0,0,0,1|1,1,0]=4 85 B13R1.6268 CC(F)(F)CNC1CCCCCC1 AIFCHEM-94529617553 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.1870 CCC(C)CN1CCCCCCC1 AIFCHEM-6068927462 [0,1,0,0,0,1|1,0,0]=3 87 B13R1.6161 CC(O)C(C)N1CCCCCCC1 AIFCHEM-94547062510 [0,1,0,0,0,1|0,0,0]=2 88 B13R1.3500 CC(O)C(C)N1CCOC[C@@H](C1)O AIFCHEM-94547061747 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.1869 OCC(O)CN1CCCC(CC1)F AIFCHEM-5860557013 [0,2,0,0,0,0|0,0,0]=2 90 B13R1.1869 OC[C@@H](O)CN1CCCC(CC1)F AIFCHEM-94590557851 [0,2,0,0,0,0|0,0,0]=2 91 B13R1.2174 CCN1CCCN(CC1)CC(C)C AIFCHEM-94519464508 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.3795 CC(O)C(=O)N1CCCC(=O)CC1 AIFCHEM-94540232503 [0,2,0,0,0,0|0,0,2]=4 93 B13R1.3795 CC(O)C(C)N1CCCN(CC1)C AIFCHEM-94547071876 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.8833 CC(C)CN1CCCC(CC1)(F)F AIFCHEM-94572971947 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.2620 CC(CO)N(C)C1CCCCCC1 AIFCHEM-94525024085 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.2620 C[C@@H](CO)N(C)C1CCCCCC1 AIFCHEM-94529612724 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.2620 C[C@H](CO)N(C)C1CCCCCC1 AIFCHEM-94529607247 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.46 OCCCCCNC1CC1F AIFCHEM-5864792939 [0,0,1,1,0,0|2,0,0]=4 99 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F AIFCHEM-6086179283 [0,0,1,1,0,0|2,0,0]=4 100 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F AIFCHEM-5815485421 [0,0,1,1,0,0|2,0,0]=4 101 B11R1.46 OCCCCCN[C@H]1C[C@@H]1F AIFCHEM-6046583831 [0,0,1,1,0,0|2,0,0]=4 102 B11R1.78 CC1CN(C1)CCCCCO AIFCHEM-5908738354 [0,0,1,1,0,0|2,0,0]=4 103 B11R1.78 CCCCNC[C@H]1C[C@H](C1)O AIFCHEM-94523031469 [0,0,1,1,0,0|2,0,0]=4 104 B11R1.78 OCCCCCN1CC(C1)O AIFCHEM-94597188735 [0,0,1,1,0,0|1,0,0]=3 105 B11R1.90 CC(C)CNC1CCCC1C AIFCHEM-94563719093 [0,0,1,1,0,0|1,0,0]=3 106 B11R1.90 CC(C)CNC1CCCC1O AIFCHEM-94581025952 [0,0,1,1,0,0|2,0,0]=4 107 B11R1.90 CC(C)CN[C@@H]1CCC[C@@H]1O AIFCHEM-94572978087 [0,0,1,1,0,0|2,0,0]=4 108 B11R1.90 CC(C)CN[C@@H]1CCC[C@H]1O AIFCHEM-94572982630 [0,0,1,1,0,0|2,0,0]=4 109 B11R1.90 CC(C)CN[C@H]1CCC[C@@H]1O AIFCHEM-94572983722 [0,0,1,1,0,0|2,0,0]=4 110 B11R1.90 CC(C)CN[C@H]1CCC[C@H]1O AIFCHEM-94572974241 [0,0,1,1,0,0|2,0,0]=4 111 B11R1.90 CC1CCCC1NCC(F)F AIFCHEM-6063080102 [0,0,1,1,0,0|2,0,0]=4 112 B11R1.91 CC(C)CNC1CCCCC1 AIFCHEM-94572981427 [0,0,1,1,0,0|1,0,0]=3 113 B11R1.91 CC(C)CNC1CCOCC1 AIFCHEM-94572970597 [0,0,1,1,0,0|2,0,0]=4 114 B11R1.91 CC(O)CNC1CCCSC1 AIFCHEM-94558282297 [0,0,1,1,0,0|1,0,0]=3 115 B11R1.91 C[C@@H](O)CNC1CCCSC1 AIFCHEM-6491145231 [0,0,1,1,0,0|1,0,0]=3 116 B11R1.91 C[C@H](O)CNC1CCCSC1 AIFCHEM-6493732098 [0,0,1,1,0,0|1,0,0]=3 117 B11R1.99 CCCCCCNCC1CC1 AIFCHEM-94571762776 [0,0,1,1,0,0|1,0,0]=3 118 B11R1.99 OCCCCCNCC1CC1 AIFCHEM-5911111569 [0,0,1,1,0,0|2,0,0]=4 119 B11R1.172 CC(C)CNCC1CCCC1 AIFCHEM-94572982575 [0,0,1,1,0,0|1,0,0]=3 120 B11R1.172 CC(C)CNCC1CCOC1 AIFCHEM-6179313606 [0,0,1,1,0,0|2,0,0]=4 121 B11R1.172 CC(C)CNC[C@@H]1CCOC1 AIFCHEM-94572974516 [0,0,1,1,0,0|2,0,0]=4 122 B11R1.172 CC(C)CNC[C@H]1CCOC1 AIFCHEM-94572971103 [0,0,1,1,0,0|2,0,0]=4 123 B11R1.172 CC(O)CNCC1CCCC1 AIFCHEM-6483474891 [0,0,1,1,0,0|0,0,0]=2 124 B11R1.172 C[C@@H](O)CNCC1CCCC1 AIFCHEM-6493272986 [0,0,1,1,0,0|0,0,0]=2 125 B11R1.172 C[C@H](O)CNCC1CCCC1 AIFCHEM-6492572424 [0,0,1,1,0,0|0,0,0]=2 126 B11R1.172 FC(F)CNCC1CCCC1 AIFCHEM-6067743871 [0,0,1,1,0,0|2,0,0]=4 127 B11R1.38 CCN1CCN(CC1(C)C)C AIFCHEM-94537411308 [0,0,1,1,0,0|2,0,0]=4 128 B11R1.43 COC1CCN(C1)CC(C)C AIFCHEM-94572974200 [0,0,1,1,0,0|2,0,0]=4 129 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C AIFCHEM-94572972453 [0,0,1,1,0,0|2,0,0]=4 130 B11R1.43 CO[C@H]1CCN(C1)CC(C)C AIFCHEM-94572983745 [0,0,1,1,0,0|2,0,0]=4 131 B11R1.301 CCCCCN(C)CC1CC1 AIFCHEM-94594889782 [0,0,1,1,0,0|1,0,0]=3 132 B11R1.758 CCCCCN1CC(C1)(F)F AIFCHEM-94551431293 [0,0,1,1,0,0|2,0,0]=4 133 B11R1.758 CCCNC[C@H]1C[C@@](C1)(C)O AIFCHEM-94569012574 [0,0,1,1,0,0|2,0,0]=4 134 B11R1.758 CSCCCN1CC(C1)(C)F AIFCHEM-94546176628 [0,0,1,1,0,0|2,0,0]=4 135 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