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C/C=C/CC(=O)NCCC(C)C AIFCHEM-6133136178 [1,0,1,0,0,0|2,0,0]=4 13 B11R0.85 CC(=O)CNC(=O)CCC(C)C AIFCHEM-6058156595 [1,0,1,0,0,0|1,0,0]=3 14 B11R0.85 CC(=O)CNC(=O)CCN(C)C AIFCHEM-6058216520 [1,0,1,0,0,0|2,0,0]=4 15 B11R0.85 CC(=O)CNC(=O)COC(C)C AIFCHEM-6019537194 [1,0,1,0,0,0|2,0,0]=4 16 B11R0.85 CC(=O)CNC(=O)CSC(C)C AIFCHEM-6012982211 [1,0,1,0,0,0|2,0,0]=4 17 B11R0.85 CC(C)OCC(=O)NCC(=O)N AIFCHEM-5612321509 [1,0,1,0,0,0|1,0,0]=3 18 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N AIFCHEM-94541403700 [1,0,1,0,0,0|1,0,1]=4 19 B11R0.163 CCNCC(=O)N[C@@H](C)C(=O)O AIFCHEM-94537420854 [1,0,1,0,0,0|2,0,0]=4 20 B11R0.163 CCNCC(=O)N[C@H](C)C(=O)O AIFCHEM-94556655375 [1,0,1,0,0,0|2,0,0]=4 21 B11R0.163 CCOCC(=O)NC(C)C(=O)N AIFCHEM-94533829144 [1,0,1,0,0,0|1,0,0]=3 22 B11R0.163 CCOCC(=O)N[C@@H](C)C(=O)N AIFCHEM-94608813078 [1,0,1,0,0,0|1,0,0]=3 23 B11R0.163 CCOCC(=O)N[C@H](C)C(=O)N AIFCHEM-94551563066 [1,0,1,0,0,0|1,0,0]=3 24 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N AIFCHEM-94526499061 [1,0,1,0,0,0|0,0,0]=2 25 B13R0.1403 CC(=O)NC(C)C(=O)NCC=C(C)C AIFCHEM-94550252570 [0,1,1,0,0,0|0,0,2]=4 26 B13R0.1403 CC(=O)N[C@@H](C)C(=O)NCC=C(C)C AIFCHEM-94550261536 [0,1,1,0,0,0|0,0,2]=4 27 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCC=C(C)C AIFCHEM-94550255471 [0,1,1,0,0,0|0,0,2]=4 28 B13R0.365 CC(C)CCC(C)N[C@@H](CO)C(=O)N AIFCHEM-94561177847 [0,1,1,0,0,0|1,0,1]=4 29 B13R0.365 CC(C)CCC(C)N[C@H](CO)C(=O)N AIFCHEM-94561167315 [0,1,1,0,0,0|1,0,1]=4 30 B13R0.1107 CNC(=O)C(C)NC(=O)CCN(C)C AIFCHEM-5815734443 [0,1,1,0,0,0|1,0,0]=3 31 B13R0.1107 CNC(=O)C(C)NC(=O)COC(C)C AIFCHEM-5830694546 [0,1,1,0,0,0|1,0,0]=3 32 B13R0.1107 CNC(=O)[C@@H](C)NC(=O)CCN(C)C AIFCHEM-5993068846 [0,1,1,0,0,0|1,0,0]=3 33 B13R0.1107 CNC(=O)[C@@H](C)NC(=O)COC(C)C AIFCHEM-6083082887 [0,1,1,0,0,0|1,0,0]=3 34 B13R0.1107 CNC(=O)[C@H](C)NC(=O)CCN(C)C AIFCHEM-94548662983 [0,1,1,0,0,0|1,0,0]=3 35 B13R0.1107 CNC(=O)[C@H](C)NC(=O)COC(C)C AIFCHEM-5905498095 [0,1,1,0,0,0|1,0,0]=3 36 B13R0.1263 CC(=O)C(C)NC(=O)COC(C)(C)C AIFCHEM-6177875887 [0,1,1,0,0,0|2,0,0]=4 37 B13R0.200 C#CC(=O)NC(CC(C)C)C(=O)NC AIFCHEM-94525191919 [0,1,1,0,0,0|0,0,2]=4 38 B13R0.200 CCC(=O)NC(CC(C)C)C(=O)NC AIFCHEM-94526500366 [0,1,1,0,0,0|0,0,0]=2 39 B13R0.83 CCOC(=O)[C@@H](CC(C)C)NC(=O)C AIFCHEM-94535599182 [0,1,1,0,0,0|1,0,0]=3 40 B13R0.83 CCOC(=O)[C@H](CC(C)C)NC(=O)C AIFCHEM-6004325322 [0,1,1,0,0,0|1,0,0]=3 41 B13R1.3835 CC(=O)CCNC(=O)C1CC(=O)N1 AIFCHEM-6235587275 [0,0,1,1,0,0|1,0,1]=4 42 B13R1.3835 CC(=O)CCNC(=O)[C@@H]1CC(=O)N1 AIFCHEM-6218426432 [0,0,1,1,0,0|1,0,1]=4 43 B13R1.3835 CC(=O)CCNC(=O)[C@H]1CC(=O)N1 AIFCHEM-6194640767 [0,0,1,1,0,0|1,0,1]=4 44 B13R1.1038 CC(NC(=O)CCC1CC1)C(=O)N AIFCHEM-94533828677 [0,0,1,1,0,0|0,0,0]=2 45 B13R1.1038 C[C@@H](NC(=O)CCC1CC1)C(=O)N AIFCHEM-94551562599 [0,0,1,1,0,0|0,0,0]=2 46 B13R1.1038 C[C@H](NC(=O)CCC1CC1)C(=O)N AIFCHEM-94608812611 [0,0,1,1,0,0|0,0,0]=2 47 B13R1.3834 CC(NC(=O)C1CN(C1)C)C(=O)N AIFCHEM-94533830535 [0,0,1,1,0,0|1,0,0]=3 48 B13R1.3834 C[C@@H](NC(=O)C1CN(C1)C)C(=O)N AIFCHEM-94551564457 [0,0,1,1,0,0|1,0,0]=3 49 B13R1.3834 C[C@H](NC(=O)C1CN(C1)C)C(=O)N AIFCHEM-5692654946 [0,0,1,1,0,0|1,0,0]=3 50 B11R0.108 C#CC(=O)N[C@@H](C(=O)N)C(C)C AIFCHEM-94525193208 [0,0,1,0,1,0|0,0,2]=4 51 B11R0.108 C#CC(=O)N[C@H](C(=O)N)C(C)C AIFCHEM-94601600609 [0,0,1,0,1,0|0,0,2]=4 52 B11R0.108 CCC(=O)N[C@@H](C(=O)N)C(C)C AIFCHEM-94526501655 [0,0,1,0,1,0|0,0,0]=2 53 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C AIFCHEM-94526507567 [0,0,1,0,1,0|0,0,0]=2 54 B13R0.444 CC(=O)CCCC(=O)NC(C)C(=O)N AIFCHEM-94533826858 [0,0,1,0,0,1|1,0,1]=4 55 B13R0.444 CC(=O)CCCC(=O)N[C@@H](C)C(=O)N AIFCHEM-94530188416 [0,0,1,0,0,1|1,0,1]=4 56 B13R0.444 CC(=O)CCCC(=O)N[C@H](C)C(=O)N AIFCHEM-94551560780 [0,0,1,0,0,1|1,0,1]=4 57 B13R0.444 CC(C)CNCC(=O)N[C@@H](C)C(=O)O AIFCHEM-94572980191 [0,0,1,0,0,1|1,0,0]=3 58 B13R0.444 CC(C)CNCC(=O)N[C@H](C)C(=O)O AIFCHEM-94556655464 [0,0,1,0,0,1|1,0,0]=3 59 B13R0.432 CCC(C)CN[C@@H](CC(C)C)C(=O)N AIFCHEM-5734512195 [0,0,1,0,0,1|1,0,1]=4 60 B13R0.432 CCC(C)CN[C@H](CC(C)C)C(=O)N AIFCHEM-5619532654 [0,0,1,0,0,1|1,0,1]=4 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CC(C)SCC(=O)N(C)CC(=O)N AIFCHEM-6207024830 [1,1,1,0,0,0|1,0,0]=4 75 B12R0.76 CCCC(C)C(=O)NC(C)C(=O)N AIFCHEM-94533831319 [1,1,1,0,0,0|0,0,0]=3 76 B12R0.76 CCCC(C)C(=O)N[C@@H](C)C(=O)N AIFCHEM-5735234164 [1,1,1,0,0,0|0,0,0]=3 77 B12R0.76 CCCC(C)C(=O)N[C@H](C)C(=O)N AIFCHEM-5953004624 [1,1,1,0,0,0|0,0,0]=3 78 B12R0.76 CCOC(C)C(=O)NC(C)C(=O)N AIFCHEM-94533828439 [1,1,1,0,0,0|1,0,0]=4 79 B12R0.76 CCOC(C)C(=O)N[C@@H](C)C(=O)N AIFCHEM-94530190177 [1,1,1,0,0,0|1,0,0]=4 80 B12R0.76 CCOC(C)C(=O)N[C@H](C)C(=O)N AIFCHEM-5945414734 [1,1,1,0,0,0|1,0,0]=4 81 B12R0.93 CCC(NC(=O)CCOC)C(=O)N AIFCHEM-94583854591 [1,1,1,0,0,0|1,0,0]=4 82 B12R0.93 CCSCC(=O)NC(CC)C(=O)N AIFCHEM-94583857392 [1,1,1,0,0,0|1,0,0]=4 83 B12R0.93 CCSCC(=O)N[C@@H](CC)C(=O)N AIFCHEM-94590330116 [1,1,1,0,0,0|1,0,0]=4 84 B12R0.93 CCSCC(=O)N[C@H](CC)C(=O)N AIFCHEM-94580209573 [1,1,1,0,0,0|1,0,0]=4 85 B12R0.93 CC[C@H](NC(=O)CCOC)C(=O)N AIFCHEM-94590327315 [1,1,1,0,0,0|1,0,0]=4 86 B12R0.123 C#CCCCC(=O)NC(C)C(=O)N AIFCHEM-94533828454 [1,1,1,0,0,0|0,0,1]=4 87 B12R0.123 C#CCCCC(=O)N[C@@H](C)C(=O)N AIFCHEM-94608812388 [1,1,1,0,0,0|0,0,1]=4 88 B12R0.123 C#CCCCC(=O)N[C@H](C)C(=O)N AIFCHEM-94551562376 [1,1,1,0,0,0|0,0,1]=4 89 B12R0.134 CCSCC(=O)NC(C)C(=O)NC AIFCHEM-94580217227 [1,1,1,0,0,0|1,0,0]=4 90 B12R0.134 CCSCC(=O)N[C@@H](C)C(=O)NC AIFCHEM-94580219265 [1,1,1,0,0,0|1,0,0]=4 91 B12R0.134 CCSCC(=O)N[C@H](C)C(=O)NC AIFCHEM-94580219268 [1,1,1,0,0,0|1,0,0]=4 92 B12R0.135 CCOCC(=O)NC(C)(C)C(=O)N AIFCHEM-5710203190 [1,1,1,0,0,0|1,0,0]=4 93 B12R0.135 CCSCC(=O)NC(C)(C)C(=O)N AIFCHEM-94580213459 [1,1,1,0,0,0|1,0,0]=4 94 B12R0.135 CSCCC(=O)NC(C)(C)C(=O)N AIFCHEM-5779740792 [1,1,1,0,0,0|1,0,0]=4 95 B12R0.19 CCC[C@H](NC(=O)COC)C(=O)N AIFCHEM-94527351897 [1,1,1,0,0,0|0,0,0]=3 96 B12R0.400 CCC[C@H](NC(=O)C(C)O)C(=O)N AIFCHEM-94540223696 [1,1,1,0,0,0|0,0,0]=3 97 B12R0.400 CCC[C@H](NC(=O)[C@@H](C)O)C(=O)N AIFCHEM-94527344805 [1,1,1,0,0,0|0,0,0]=3 98 B12R0.400 CCC[C@H](NC(=O)[C@H](C)O)C(=O)N AIFCHEM-94527352829 [1,1,1,0,0,0|0,0,0]=3 99 B12R0.407 CCCC(NC(=O)CC)C(=O)OC AIFCHEM-94526498906 [1,1,1,0,0,0|1,0,0]=4 100 B12R0.407 CCC[C@H](NC(=O)CC)C(=O)OC AIFCHEM-94526508490 [1,1,1,0,0,0|1,0,0]=4 101 B12R0.501 CCC(=O)NC(C)(C(=O)N)C(C)C AIFCHEM-94526507235 [0,1,1,0,1,0|0,0,0]=3 102 B14R0.2660 CC(=O)OC(C)C(=O)NCCCC(C)C AIFCHEM-5738374947 [0,1,1,0,0,1|1,0,0]=4 103 B14R0.2660 CC(=O)O[C@@H](C)C(=O)NCCCC(C)C AIFCHEM-5700657638 [0,1,1,0,0,1|1,0,0]=4 104 B14R0.2660 CC(=O)O[C@H](C)C(=O)NCCCC(C)C AIFCHEM-5728714972 [0,1,1,0,0,1|1,0,0]=4 105 B14R0.1420 CC(C)OCC(=O)NCC(C)(C)C(=O)N AIFCHEM-5594623893 [0,1,1,0,0,1|1,0,0]=4 106 B14R0.2669 CC(=O)C(C)NC(=O)CCOC(C)(C)C AIFCHEM-94585222298 [0,1,1,0,0,1|1,0,0]=4 107 B14R0.3951 CCC(NC(=O)CCCC(C)C)C(=O)N AIFCHEM-94583857397 [0,1,1,0,0,1|0,0,0]=3 108 B14R0.3951 CC[C@H](NC(=O)CCCC(C)C)C(=O)N AIFCHEM-94590330121 [0,1,1,0,0,1|0,0,0]=3 109 B14R0.924 CC(=O)NC(C)C(=O)NCCC(C)(C)C AIFCHEM-6276812880 [0,2,1,0,0,0|0,0,0]=3 110 B14R0.924 CC(=O)N[C@@H](C)C(=O)NCCC(C)(C)C AIFCHEM-6193207613 [0,2,1,0,0,0|0,0,0]=3 111 B14R0.924 CC(=O)N[C@H](C)C(=O)NCCC(C)(C)C AIFCHEM-6242220133 [0,2,1,0,0,0|0,0,0]=3 112 B14R0.2155 CC(=O)N[C@@H](CO)C(=O)NCCC(C)C AIFCHEM-94581956770 [0,2,1,0,0,0|0,0,0]=3 113 B14R0.2155 CC(=O)N[C@@H](CO)C(=O)NCCN(C)C AIFCHEM-94581948057 [0,2,1,0,0,0|1,0,0]=4 114 B14R0.1638 CCC(C)CCC(=O)NC(C)(C)C(=O)N AIFCHEM-5696293051 [0,2,1,0,0,0|0,0,0]=3 115 B14R0.1757 CCC(C)CCC(=O)N[C@@H](C)C(=O)NC AIFCHEM-5946600078 [0,2,1,0,0,0|0,0,0]=3 116 B14R0.1757 CCC(C)CCC(=O)N[C@H](C)C(=O)NC AIFCHEM-6013136185 [0,2,1,0,0,0|0,0,0]=3 117 B14R0.212 CCNCC(=O)NC(CC(C)C)C(=O)O AIFCHEM-94537424429 [0,2,1,0,0,0|1,0,0]=4 118 B14R0.212 CCNCC(=O)N[C@@H](CC(C)C)C(=O)O AIFCHEM-94537426222 [0,2,1,0,0,0|1,0,0]=4 119 B14R0.212 CCNCC(=O)N[C@H](CC(C)C)C(=O)O AIFCHEM-94537424428 [0,2,1,0,0,0|1,0,0]=4 120 B14R0.212 CCOCC(=O)NC(CC(C)C)C(=O)N AIFCHEM-94608144333 [0,2,1,0,0,0|0,0,0]=3 121 B14R0.212 CCOCC(=O)N[C@@H](CC(C)C)C(=O)N AIFCHEM-94563073099 [0,2,1,0,0,0|0,0,0]=3 122 B14R0.212 CCOCC(=O)N[C@H](CC(C)C)C(=O)N AIFCHEM-5628293227 [0,2,1,0,0,0|0,0,0]=3 123 B14R0.113 CC(=O)NC(CC(C)C)C(=O)NC(C)C AIFCHEM-94520552501 [0,2,1,0,0,0|0,0,0]=3 124 B14R0.113 CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C AIFCHEM-94520543828 [0,2,1,0,0,0|0,0,0]=3 125 B14R0.113 CC(=O)N[C@H](CC(C)C)C(=O)NC(C)C AIFCHEM-94520546475 [0,2,1,0,0,0|0,0,0]=3 126 B14R0.1142 CCOC(=O)[C@H](CC(C)(C)F)NC(=O)C AIFCHEM-6053413680 [0,2,1,0,0,0|1,0,0]=4 127 B12R1.486 COCCNC(=O)C1CC(=O)N1 AIFCHEM-6016303112 [1,0,1,1,0,0|1,0,0]=4 128 B12R1.486 COCCNC(=O)[C@@H]1CC(=O)N1 AIFCHEM-6016375583 [1,0,1,1,0,0|1,0,0]=4 129 B12R1.221 CC(=O)CNC(=O)C1CC(C1)C AIFCHEM-6018502796 [1,0,1,1,0,0|1,0,0]=4 130 B12R1.2242 CC(=O)CNC(=O)C1CC1(C)C AIFCHEM-6038309066 [1,0,1,1,0,0|1,0,0]=4 131 B12R1.2242 CC(=O)CNC(=O)[C@H]1CC1(C)C AIFCHEM-6013067000 [1,0,1,1,0,0|1,0,0]=4 132 B12R1.1350 CC(=O)C(C)NC(=O)C1CCC1 AIFCHEM-94572518684 [1,0,1,1,0,0|1,0,0]=4 133 B12R1.1352 CC(NC(=O)CC1CC1)C(=O)N AIFCHEM-94533828379 [1,0,1,1,0,0|0,0,0]=3 134 B12R1.1352 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C[C@@H]1CCN(C1)C(=O)[C@H]2CC(=O)N2 AIFCHEM-5791607484 [0,0,1,2,0,0|0,0,0]=3 204 B14R2.4376 C[C@H]1CCN(C1)C(=O)C2CC(=O)C2 AIFCHEM-5610835825 [0,0,1,2,0,0|1,0,0]=4 205 B14R2.4376 C[C@H]1CCN(C1)C(=O)C2CC(=O)N2 AIFCHEM-5672037705 [0,0,1,2,0,0|0,0,0]=3 206 B14R2.4376 C[C@H]1CCN(C1)C(=O)[C@@H]2CC(=O)N2 AIFCHEM-5666659757 [0,0,1,2,0,0|0,0,0]=3 207 B14R2.4376 C[C@H]1CCN(C1)C(=O)[C@H]2CC(=O)N2 AIFCHEM-5609781102 [0,0,1,2,0,0|0,0,0]=3 208 B14R2.8999 C[C@@H]1C[C@H]1CNC(=O)C2CC(=O)C2 AIFCHEM-94599424337 [0,0,1,2,0,0|1,0,0]=4 209 B14R2.8999 C[C@@H]1C[C@H]1CNC(=O)C2CC(=O)N2 AIFCHEM-94599429570 [0,0,1,2,0,0|0,0,0]=3 210 B14R2.8999 C[C@@H]1C[C@H]1CNC(=O)[C@@H]2CC(=O)N2 AIFCHEM-94599422752 [0,0,1,2,0,0|0,0,0]=3 211 B14R2.8999 C[C@@H]1C[C@H]1CNC(=O)[C@H]2CC(=O)N2 AIFCHEM-94599427388 [0,0,1,2,0,0|0,0,0]=3 212 B14R2.31156 CC(NC(=O)C1CC12CC2)C(=O)N AIFCHEM-94533824707 [0,0,1,2,0,0|0,0,0]=3 213 B14R2.31156 CC(NC(=O)[C@H]1CC12CC2)C(=O)N AIFCHEM-94533826258 [0,0,1,2,0,0|0,0,0]=3 214 B14R2.31156 C[C@@H](NC(=O)C1CC12CC2)C(=O)N AIFCHEM-5930857498 [0,0,1,2,0,0|0,0,0]=3 215 B14R2.31156 C[C@@H](NC(=O)[C@H]1CC12CC2)C(=O)N AIFCHEM-94551560180 [0,0,1,2,0,0|0,0,0]=3 216 B14R2.31156 C[C@H](NC(=O)C1CC12CC2)C(=O)N AIFCHEM-5725202696 [0,0,1,2,0,0|0,0,0]=3 217 B14R2.31156 C[C@H](NC(=O)[C@H]1CC12CC2)C(=O)N AIFCHEM-5724465651 [0,0,1,2,0,0|0,0,0]=3