0 B10R0.91 CCCCNC(=O)CCSC AIFCHEM-5695482106 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.5 CCNCCC(=O)OCC AIFCHEM-94537421553 [1,0,0,0,0,0|1,0,1]=3 2 B9R0.18 CCCCC(=O)NCCC AIFCHEM-94534100132 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.18 CCCCC(=O)NCCF AIFCHEM-94534108252 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.5 C#CCNC(=O)CC(C)CCC AIFCHEM-94588318530 [0,1,0,0,0,0|1,0,2]=4 5 B11R0.5 CCCNC(=O)CC(C)CCC AIFCHEM-5791159836 [0,1,0,0,0,0|1,0,2]=4 6 B11R0.11 CCCCC(C)C(=O)NCCC AIFCHEM-5815291422 [0,1,0,0,0,0|1,0,2]=4 7 B11R0.46 CCCCCC(=O)NCC(F)F AIFCHEM-94585556726 [0,1,0,0,0,0|2,0,1]=4 8 B11R0.46 CCCCNC(=O)CCC(=O)N AIFCHEM-94563285423 [0,1,0,0,0,0|3,0,0]=4 9 B11R0.81 C#CCNC(=O)COCCCC AIFCHEM-6216352144 [0,1,0,0,0,0|1,0,2]=4 10 B11R0.81 CCCCNCC(=O)NCCF AIFCHEM-94523033385 [0,1,0,0,0,0|2,0,1]=4 11 B11R0.81 CCCNC(=O)CCCCCO AIFCHEM-94521373241 [0,1,0,0,0,0|1,0,2]=4 12 B11R0.140 C#CCOCC(=O)NCCCC AIFCHEM-5696105204 [0,1,0,0,0,0|1,0,2]=4 13 B11R0.140 CCCCCC(=O)NCCOC AIFCHEM-94585545776 [0,1,0,0,0,0|1,0,2]=4 14 B11R0.140 CCCCNC(=O)COCCC AIFCHEM-5693581577 [0,1,0,0,0,0|1,0,2]=4 15 B11R0.155 C#CCN(C)C(=O)CCCCC AIFCHEM-94585552781 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.285 CCCNC(=O)CCC1CC1 AIFCHEM-5853717499 [0,0,0,1,0,0|1,0,2]=4 17 B10R0.1 CCCCCNC(=O)CC#N AIFCHEM-94559920597 [1,1,0,0,0,0|1,0,1]=4 18 B10R0.1 CCCCCNC(=O)CCO AIFCHEM-94522662823 [1,1,0,0,0,0|1,0,1]=4 19 B10R0.1 CCCCNCC(=O)NCC AIFCHEM-94523039937 [1,1,0,0,0,0|1,0,1]=4 20 B10R0.2 CCNC(C)CC(=O)OCC AIFCHEM-94537422484 [1,1,0,0,0,0|1,0,1]=4 21 B10R0.2 CCN[C@@H](C)CC(=O)OCC AIFCHEM-94537417390 [1,1,0,0,0,0|1,0,1]=4 22 B10R0.19 CCCNC(C)C(=O)OCC AIFCHEM-94569020664 [1,1,0,0,0,0|1,0,1]=4 23 B10R0.19 CCCN[C@@H](C)C(=O)OCC AIFCHEM-94569009310 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.19 CCCN[C@H](C)C(=O)OCC AIFCHEM-94569020921 [1,1,0,0,0,0|1,0,1]=4 25 B10R0.108 CCOC(=O)CCN(C)CC AIFCHEM-94537418590 [1,1,0,0,0,0|1,0,1]=4 26 B12R0.98 CCCCC(C)C(=O)NCC(=O)N AIFCHEM-94550126864 [0,2,0,0,0,0|2,0,0]=4 27 B12R0.142 CCCCCC(=O)NCC(=O)CC AIFCHEM-94585545762 [0,2,0,0,0,0|1,0,1]=4 28 B12R0.189 CCC(C)CCC(=O)NCC(=O)C AIFCHEM-6074892788 [0,2,0,0,0,0|1,0,1]=4 29 B12R0.255 CCCCCCC(=O)NCC(=O)C AIFCHEM-94521991303 [0,2,0,0,0,0|1,0,1]=4 30 B12R0.255 CCCCCNC(=O)CCC(=O)C AIFCHEM-94522657637 [0,2,0,0,0,0|1,0,1]=4 31 B12R0.255 CCCCOCC(=O)NCC(=O)N AIFCHEM-5652982796 [0,2,0,0,0,0|2,0,0]=4 32 B12R0.255 NC(=O)CNC(=O)CCCCCO AIFCHEM-94550121683 [0,2,0,0,0,0|2,0,0]=4 33 B12R0.233 CC(C)CCCC(=O)NCOC=O AIFCHEM-94595117020 [0,2,0,0,0,0|2,0,0]=4 34 B12R0.233 CCCCNC(=O)COCC(=O)N AIFCHEM-5693634145 [0,2,0,0,0,0|2,0,0]=4 35 B10R1.21 CCCCNc1ncco1 AIFCHEM-94523038147 [1,0,0,1,0,0|2,0,0]=4 36 B12R1.551 CC(=O)CNC(=O)CC1CCC1 AIFCHEM-6038726956 [0,1,0,1,0,0|1,0,1]=4 37 B12R1.463 CCCOC(=O)CNC1CCC1 AIFCHEM-94576046583 [0,1,0,1,0,0|0,0,2]=4 38 B12R1.464 CCCOC(=O)CNCC1CC1 AIFCHEM-94602830846 [0,1,0,1,0,0|0,0,2]=4 39 B12R1.35 O=COCNC(=O)C1CCCC1 AIFCHEM-94595114979 [0,1,0,1,0,0|2,0,0]=4