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AIFCHEM-94522649989 [1,1,0,0,0,0|1,0,0]=3 41 B12R0.113 CCCCCN[C@@H](C)CC(=O)OC AIFCHEM-94551426621 [1,1,0,0,0,0|1,0,0]=3 42 B12R0.113 CCCCCN[C@H](C)CC(=O)OC AIFCHEM-94564415899 [1,1,0,0,0,0|1,0,0]=3 43 B12R0.113 CCCCNC[C@H](C)NC(=O)OC AIFCHEM-94523029950 [1,1,0,0,0,0|2,0,0]=4 44 B12R0.113 CCSCCNC(C)CC(=O)OC AIFCHEM-94566114250 [1,1,0,0,0,0|2,0,0]=4 45 B12R0.113 COC(=O)CN(C)CCCCCO AIFCHEM-6043127932 [1,1,0,0,0,0|2,0,0]=4 46 B12R0.240 COC(=O)CC(C)NCCC(C)O AIFCHEM-94577732083 [1,1,0,0,0,0|2,0,0]=4 47 B12R0.240 COC(=O)CC(C)NCC[C@H](C)O AIFCHEM-94544710349 [1,1,0,0,0,0|2,0,0]=4 48 B12R0.363 CCCCNC(CC)C(=O)OCC AIFCHEM-94523039149 [0,1,0,0,1,0|2,0,0]=4 49 B12R0.363 CCCCN[C@@H](CC)C(=O)OCC AIFCHEM-94523043351 [0,1,0,0,1,0|2,0,0]=4 50 B14R0.33 CCCC(C)NC(C)CCC(=O)OCC AIFCHEM-94560474047 [0,1,0,0,0,1|2,0,0]=4 51 B14R0.33 CCC[C@@H](C)NC(C)CCC(=O)OCC AIFCHEM-6081744679 [0,1,0,0,0,1|2,0,0]=4 52 B14R0.33 CCC[C@H](C)NC(C)CCC(=O)OCC AIFCHEM-5613736138 [0,1,0,0,0,1|2,0,0]=4 53 B14R0.199 CCCCCNC(=O)CNC(=O)OCC AIFCHEM-94552830124 [0,1,0,0,0,1|0,0,2]=4 54 B14R0.199 CCOC(=O)CCC(C)NCCCCO AIFCHEM-6488469115 [0,1,0,0,0,1|2,0,0]=4 55 B14R0.199 CCOC(=O)CCC(C)NCCCOC AIFCHEM-94598889933 [0,1,0,0,0,1|2,0,0]=4 56 B14R0.199 CCOCCNC(C)CCC(=O)OCC AIFCHEM-94548606826 [0,1,0,0,0,1|2,0,0]=4 57 B14R0.232 CCCCCC(=O)NC(C)C(=O)OCC AIFCHEM-94585555178 [0,1,0,0,0,1|0,0,2]=4 58 B14R0.232 CCCCCC(=O)N[C@@H](C)C(=O)OCC AIFCHEM-94585545905 [0,1,0,0,0,1|0,0,2]=4 59 B14R0.232 CCCCCC(=O)N[C@H](C)C(=O)OCC AIFCHEM-94585555380 [0,1,0,0,0,1|0,0,2]=4 60 B14R0.431 CCNC(=O)CNC(C)CCCC(C)C AIFCHEM-5868944661 [0,1,0,0,0,1|2,0,0]=4 61 B14R0.431 CCOC(=O)CCC(C)NCCC(C)O AIFCHEM-94577736297 [0,1,0,0,0,1|2,0,0]=4 62 B14R0.431 CCOC(=O)CCC(C)NCC[C@H](C)O AIFCHEM-94544714563 [0,1,0,0,0,1|2,0,0]=4 63 B14R0.529 CCCCCC(C)CCC(=O)NCCF AIFCHEM-5854048297 [0,1,0,0,0,1|2,0,0]=4 64 B14R0.529 CCCCNC(C)CCC(=O)OCCC AIFCHEM-94570974460 [0,1,0,0,0,1|2,0,0]=4 65 B14R0.1240 CCOC(=O)CNC(=O)CCC(C)CC AIFCHEM-5593749065 [0,1,0,0,0,1|0,0,2]=4 66 B14R0.154 CCCCC(=O)NC(C)CC(=O)OCC AIFCHEM-94534108764 [0,2,0,0,0,0|1,0,1]=4 67 B14R0.154 CCCCC(=O)N[C@@H](C)CC(=O)OCC AIFCHEM-94534104658 [0,2,0,0,0,0|1,0,1]=4 68 B14R0.154 CCCCC(C)NC(C)CC(=O)OCC AIFCHEM-94541401453 [0,2,0,0,0,0|1,0,0]=3 69 B14R0.154 CCCCC(C)N[C@@H](C)CC(=O)OCC AIFCHEM-94541396359 [0,2,0,0,0,0|1,0,0]=3 70 B14R0.154 CCCC[C@@H](C)NC(C)CC(=O)OCC AIFCHEM-94596949517 [0,2,0,0,0,0|1,0,0]=3 71 B14R0.154 CCOC(=O)CC(C)NC(C)CCCO AIFCHEM-94575405988 [0,2,0,0,0,0|2,0,0]=4 72 B14R0.154 CCOC(=O)CC(C)N[C@@H](C)CCCO AIFCHEM-94544061935 [0,2,0,0,0,0|2,0,0]=4 73 B14R0.154 CCOC(=O)CC(C)N[C@H](C)CCCO AIFCHEM-94544058698 [0,2,0,0,0,0|2,0,0]=4 74 B14R0.2430 CCCCNC(C)CC(=O)OCC(C)C AIFCHEM-94570975032 [0,2,0,0,0,0|2,0,0]=4 75 B14R0.73 CCCCCCNC(C)CC(=O)OCC AIFCHEM-94571762586 [0,2,0,0,0,0|1,0,0]=3 76 B14R0.389 CCCCCNC(C)CC(=O)OC(C)C AIFCHEM-94522654242 [0,2,0,0,0,0|1,0,0]=3 77 B14R0.389 CCOCCNC(C)CC(=O)OC(C)C AIFCHEM-94548606865 [0,2,0,0,0,0|2,0,0]=4 78 B14R0.389 CSCCCNC(C)CC(=O)OC(C)C AIFCHEM-94529054813 [0,2,0,0,0,0|2,0,0]=4 79 B14R0.955 CCOC(=O)CC(CC)NCCCOC AIFCHEM-94598889650 [0,2,0,0,0,0|2,0,0]=4 80 B14R0.1824 CCCCCNC(C)(C)CC(=O)OCC AIFCHEM-94551437540 [0,2,0,0,0,0|1,0,0]=3 81 B14R0.2225 CCOC(=O)C(C)C(C)NCCCOC AIFCHEM-94598890377 [0,2,0,0,0,0|2,0,0]=4 82 B14R0.2225 CCOCCNC(C)C(C)C(=O)OCC AIFCHEM-94548607270 [0,2,0,0,0,0|2,0,0]=4 83 B14R0.2863 CCOC(=O)CC(C)NCCOC(C)C AIFCHEM-94544068799 [0,2,0,0,0,0|2,0,0]=4 84 B14R0.423 CCOC(=O)CC(C)NCCC(C)(C)C AIFCHEM-94544063124 [0,2,0,0,0,0|2,0,0]=4 85 B14R0.423 CCOC(=O)C[C@H](C)NCCC(C)(C)C AIFCHEM-6053455689 [0,2,0,0,0,0|2,0,0]=4 86 B14R0.2208 CCOC(=O)CC(C)(C)NCC(C)CC AIFCHEM-6174848777 [0,2,0,0,0,0|2,0,0]=4 87 B14R0.2456 CCOC(=O)CC(COC)NCCSC AIFCHEM-94598923638 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.315 CCNC(=O)CNCC1CCC1 AIFCHEM-5868858602 [1,0,0,1,0,0|2,0,0]=4 89 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC AIFCHEM-94537423154 [1,0,0,1,0,0|2,0,0]=4 90 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC AIFCHEM-94537420341 [1,0,0,1,0,0|1,0,0]=3 91 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC AIFCHEM-94537426089 [1,0,0,1,0,0|2,0,0]=4 92 B12R1.316 CCOC(=O)[C@H]1CCCN1CC AIFCHEM-94537414421 [1,0,0,1,0,0|1,0,0]=3 93 B12R1.923 CCCCCCNC(=O)C1CC1 AIFCHEM-6103805373 [1,0,0,1,0,0|2,0,0]=4 94 B12R1.1997 CCCNCC1(CCCCC1)O AIFCHEM-94524046900 [1,0,0,1,0,0|2,0,0]=4 95 B12R1.1997 CCCNCC1(CCOCC1)O AIFCHEM-94569021311 [1,0,0,1,0,0|1,0,1]=4 96 B12R1.15 CCC(=O)NC(C)C1CCCC1 AIFCHEM-94526502744 [1,0,0,1,0,0|2,0,0]=4 97 B12R1.15 CCC(=O)N[C@H](C)C1CCCC1 AIFCHEM-94526502345 [1,0,0,1,0,0|2,0,0]=4 98 B12R1.50 CCC(=O)NC1CCCC(C1)C AIFCHEM-94526509652 [1,0,0,1,0,0|2,0,0]=4 99 B12R1.177 CCCN1CC(C1)CC(=O)OC AIFCHEM-94569011492 [1,0,0,1,0,0|2,0,0]=4 100 B12R1.303 COC(=O)CC(C)N[C@@H]1C[C@H]1C AIFCHEM-94559005505 [1,0,0,1,0,0|2,0,0]=4 101 B12R1.3441 CCC(=O)N1C(CCCC1C)C AIFCHEM-94544340654 [1,0,0,1,0,0|2,0,0]=4 102 B12R1.3441 CCC(=O)N1[C@@H](CCC[C@@H]1C)C AIFCHEM-94526506272 [1,0,0,1,0,0|2,0,0]=4 103 B12R1.178 CCN[C@H]1C[C@@H](C1)C(=O)OCC AIFCHEM-94537427617 [0,0,0,1,1,0|2,0,0]=4 104 B12R1.178 CCN[C@H]1C[C@H](C1)C(=O)OCC AIFCHEM-94537427616 [0,0,0,1,1,0|2,0,0]=4 105 B12R1.555 CCOC(=O)C(C)CN1CCC1 AIFCHEM-5995996369 [0,0,0,1,1,0|2,0,0]=4 106 B12R1.555 CCOC(=O)C(C)NC1CCC1 AIFCHEM-94576055838 [0,0,0,1,1,0|2,0,0]=4 107 B12R1.555 CCOC(=O)[C@@H](C)NC1CCC1 AIFCHEM-94576056095 [0,0,0,1,1,0|2,0,0]=4 108 B12R1.555 CCOC(=O)[C@H](C)NC1CCC1 AIFCHEM-94576044484 [0,0,0,1,1,0|2,0,0]=4 109 B12R1.556 CCOC(=O)C(C)NCC1CC1 AIFCHEM-5824227635 [0,0,0,1,1,0|2,0,0]=4 110 B12R1.556 CCOC(=O)[C@@H](C)NCC1CC1 AIFCHEM-6134833651 [0,0,0,1,1,0|2,0,0]=4 111 B12R1.556 CCOC(=O)[C@H](C)NCC1CC1 AIFCHEM-5870090117 [0,0,0,1,1,0|2,0,0]=4 112 B14R1.32 CCNC(=O)CNC1CCC[C@H](C1)C AIFCHEM-94588391066 [0,0,0,1,0,1|2,0,0]=4 113 B14R1.100 CCOC(=O)CNC(=O)C1CCCC1 AIFCHEM-5644366461 [0,0,0,1,0,1|0,0,2]=4 114 B14R1.599 CCOC(=O)[C@H]1C[C@@H](CCN1CC)C AIFCHEM-94537425079 [0,0,0,1,0,1|2,0,0]=4 115 B14R1.3710 CCOC(=O)CNC(=O)CCC1CC1 AIFCHEM-5655813195 [0,0,0,1,0,1|0,0,2]=4 116 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B14R1.3360 COCCCNC(C)C1CCOC1=O AIFCHEM-94598889772 [0,1,0,1,0,0|2,0,0]=4 129 B14R1.7237 CCOC(=O)CC(C)NCC1CCC1 AIFCHEM-94544065848 [0,1,0,1,0,0|1,0,0]=3 130 B14R1.7237 CCOC(=O)C[C@H](C)NCC1CCC1 AIFCHEM-6035293138 [0,1,0,1,0,0|1,0,0]=3 131 B14R1.7238 CCOC(=O)CC(C)NCCC1CC1 AIFCHEM-94544069830 [0,1,0,1,0,0|1,0,0]=3 132 B14R1.7113 CCOC(=O)C1CC1CNCC(C)C AIFCHEM-6144556605 [0,1,0,1,0,0|2,0,0]=4 133 B14R1.4849 CC(CC(=O)OC(C)C)N[C@@H]1C[C@H]1C AIFCHEM-94559009758 [0,1,0,1,0,0|2,0,0]=4 134 B14R1.954 CCOC(=O)CC1CCN(CC1)CC AIFCHEM-94606070354 [0,1,0,1,0,0|2,0,0]=4 135 B14R1.6685 CCOC(=O)C(C)C(C)NCC1CC1 AIFCHEM-94592473379 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.33611 CCOC(=O)C1CC1CN2CCC2 AIFCHEM-94604920910 [0,0,0,2,0,0|2,0,0]=4 137 B10R0.19 CCCNC(C)C(=O)OCC AIFCHEM-94569020664 [1,0,0,0,1,0|2,0,0]=4 138 B10R0.19 CCCN[C@@H](C)C(=O)OCC AIFCHEM-94569009310 [1,0,0,0,1,0|2,0,0]=4 139 B10R0.19 CCCN[C@H](C)C(=O)OCC AIFCHEM-94569020921 [1,0,0,0,1,0|2,0,0]=4 140 B10R0.83 CCCCCN(C)C(=O)CC AIFCHEM-94526505529 [1,0,0,0,1,0|2,0,0]=4