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[1,1,0,0,0,0|1,0,1]=4 43 B10R0.105 CSCC(C)(C)NCC(C)C AIFCHEM-94572980130 [0,1,0,0,1,0|2,0,0]=4 44 B12R0.209 CC(C)C(O)CNCC(C)(C)CO AIFCHEM-6415152009 [0,1,0,0,0,1|2,0,0]=4 45 B12R0.595 CC(C)CCC(C)NC(C)(C)CO AIFCHEM-94576810857 [0,1,0,0,0,1|2,0,0]=4 46 B12R0.595 CCC(C)(O)CC(=O)NCC(C)C AIFCHEM-94563727670 [0,1,0,0,0,1|0,0,1]=3 47 B12R0.177 CSCC(C)(C)NCCC(C)(C)C AIFCHEM-5998342063 [0,2,0,0,0,0|2,0,0]=4 48 B12R0.341 CCC(C)(O)C(=O)NC[C@@H](C)OC AIFCHEM-94608847781 [0,2,0,0,0,0|1,0,1]=4 49 B12R0.341 CCC(C)(O)C(=O)NC[C@H](C)OC AIFCHEM-94588791687 [0,2,0,0,0,0|1,0,1]=4 50 B12R0.772 CCC(C)(C)C(C)NCC(C)(C)O AIFCHEM-6448470136 [0,2,0,0,0,0|2,0,0]=4 51 B12R0.772 CCC(C)(O)C(=O)NCC(C)(C)F AIFCHEM-5743299277 [0,2,0,0,0,0|1,0,1]=4 52 B10R1.73 CC(C)CNC[C@@H]1C[C@H]1C AIFCHEM-94572976968 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.127 CC(C)CCNC1CCC1 AIFCHEM-94576054914 [1,0,0,1,0,0|1,0,0]=3 54 B10R1.150 CC1CN(C1)CC(O)CO AIFCHEM-5907536744 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.150 CC1CN(C1)C[C@H](O)CO AIFCHEM-94590570229 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.168 CC(C)CN1CC(C1)CF AIFCHEM-94572975798 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.168 CSC1CN(C1)CC(C)C AIFCHEM-94572974655 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.197 CCN1CCCC(CC1)F AIFCHEM-94537414919 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.350 CN(C)CCNC1(CC1)C AIFCHEM-94564771373 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.26 CCN1CCC(CC1)(C)C AIFCHEM-94550968908 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.95 CCCN1CCC(C1)(C)O AIFCHEM-94569010947 [1,0,0,1,0,0|1,0,0]=3 62 B10R1.95 CCCN1CC[C@@](C1)(C)O AIFCHEM-94558111044 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.95 CCCN1CC[C@](C1)(C)O AIFCHEM-94569014761 [1,0,0,1,0,0|1,0,0]=3 64 B10R1.241 CCC1(CC1)NCC(C)C AIFCHEM-94572976158 [0,0,0,1,1,0|2,0,0]=4 65 B12R1.1819 CC(C)CN1CCC(CC1)(C)C AIFCHEM-94572980656 [0,0,0,1,0,1|1,0,0]=3 66 B12R1.1821 CC(C)CN1CCOC(C1)(C)C AIFCHEM-94522029010 [0,1,0,1,0,0|2,0,0]=4 67 B12R1.1821 CC(C)NC1CCCC(C1)(C)C AIFCHEM-94520539418 [0,1,0,1,0,0|2,0,0]=4 68 B12R1.2118 COC(C)(CNCC1CC1)OC AIFCHEM-6261723478 [0,1,0,1,0,0|2,0,0]=4 69 B12R1.2372 CCC1(COC1)CNCC(C)O AIFCHEM-94558286702 [0,1,0,1,0,0|2,0,0]=4 70 B12R1.2203 CC(C)C(C)N1CCC(C1)(C)O AIFCHEM-94522515572 [0,1,0,1,0,0|1,0,0]=3 71 B12R1.2203 CC(C)C(C)N1CC[C@@](C1)(C)O AIFCHEM-94558114795 [0,1,0,1,0,0|1,0,0]=3 72 B12R1.2203 CC(C)C(C)N1CC[C@](C1)(C)O AIFCHEM-94522506122 [0,1,0,1,0,0|1,0,0]=3 73 B12R1.1673 CC(CF)NC1CCC(C1)(C)C AIFCHEM-6135392750 [0,1,0,1,0,0|2,0,0]=4 74 B12R1.1673 C[C@@H](CF)NC1CCC(C1)(C)C AIFCHEM-6081935485 [0,1,0,1,0,0|2,0,0]=4 75 B12R1.1704 CC(CO)N1CCC(CC1)(C)O AIFCHEM-94533646954 [0,1,0,1,0,0|1,0,0]=3 76 B12R1.1849 CSC(C)CCNC1(CCC1)C AIFCHEM-6196920373 [0,1,0,1,0,0|2,0,0]=4 77 B12R1.3537 CCC1(CN(C1)CC(O)CO)O AIFCHEM-6408355743 [0,1,0,1,0,0|2,0,0]=4 78 B12R1.3537 CCC1(CN(C1)C[C@H](O)CO)O AIFCHEM-94590570227 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.2125 CCC1(CN(C1)CC2CC2)O AIFCHEM-6482179033 [0,0,0,2,0,0|1,0,0]=3 80 B8R0.9 CC(C)CNC(C)CO AIFCHEM-6145692687 [1,0,0,0,1,0|2,0,0]=4 81 B8R0.9 CC(C)CN[C@@H](C)CO AIFCHEM-94572978911 [1,0,0,0,1,0|2,0,0]=4 82 B8R0.9 CC(C)CN[C@H](C)CO AIFCHEM-94572979978 [1,0,0,0,1,0|2,0,0]=4 83 B10R0.55 CCC(=O)NCCCC(C)C AIFCHEM-94526500064 [1,0,0,0,0,1|0,0,2]=4 84 B10R0.55 CCC(C)CNCCC(C)C AIFCHEM-6121185674 [1,0,0,0,0,1|0,0,0]=2 85 B10R0.55 CN(C)CCNCC(O)CO AIFCHEM-94564768317 [1,0,0,0,0,1|2,0,0]=4 86 B10R0.55 CN(C)CCNC[C@@H](O)CO AIFCHEM-94564768911 [1,0,0,0,0,1|2,0,0]=4 87 B10R0.55 CN(C)CCNC[C@H](O)CO AIFCHEM-94564768272 [1,0,0,0,0,1|2,0,0]=4 88 B10R0.55 COC(C)CNCCN(C)C AIFCHEM-94564769393 [1,0,0,0,0,1|2,0,0]=4 89 B10R0.55 CO[C@@H](C)CNCCN(C)C AIFCHEM-94564771653 [1,0,0,0,0,1|2,0,0]=4 90 B10R0.55 CO[C@H](C)CNCCN(C)C AIFCHEM-94564771646 [1,0,0,0,0,1|2,0,0]=4