0 B12R0.206 CCCCCCNC(=O)COCC AIFCHEM-94575445485 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.206 CCOCCCNC(=O)CCSC AIFCHEM-6286317677 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.81 CCCCC(=O)NCCCSC AIFCHEM-94529057487 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.81 CCCCC(=O)NCCSCC AIFCHEM-94534108919 [1,0,0,0,0,0|2,0,0]=3 4 B11R0.81 CCOCCNC(=O)COCC AIFCHEM-94548616409 [1,0,0,0,0,0|3,0,0]=4 5 B13R0.113 CCCCC(=O)NCCNC(=O)CC AIFCHEM-94534112549 [0,1,0,0,0,0|2,0,0]=3 6 B13R0.175 CCOC(=O)CCNC(=O)CCSC AIFCHEM-6037317976 [0,1,0,0,0,0|3,0,0]=4 7 B13R0.274 CCCCCCNC(=O)CC(C)CC AIFCHEM-94575438469 [0,1,0,0,0,0|1,0,2]=4 8 B13R0.274 CCCCCCNC(=O)C[C@@H](C)CC AIFCHEM-94575441077 [0,1,0,0,0,0|1,0,2]=4 9 B13R0.275 CCCCCCNC(=O)C(C)CCC AIFCHEM-94571777392 [0,1,0,0,0,0|1,0,2]=4 10 B13R0.338 CCCCCCNC(=O)CCCCC AIFCHEM-94585545880 [0,1,0,0,0,0|1,0,2]=4 11 B13R1.44 CCC#CC(=O)NC1CC=CCC1 AIFCHEM-5911407066 [0,0,0,1,0,0|1,0,2]=4 12 B13R1.674 CCCCC(=O)N1CCCC[C@@H]1C AIFCHEM-94588088724 [0,0,0,1,0,0|1,0,2]=4 13 B13R1.674 CCCCC(=O)N1CCCC[C@H]1C AIFCHEM-94534104094 [0,0,0,1,0,0|1,0,2]=4 14 B13R1.2488 CCCCC(=O)N1CCCOCC1 AIFCHEM-94534109115 [0,0,0,1,0,0|2,0,1]=4 15 B13R1.2488 O=C(NCCF)C1CCC=CCC1 AIFCHEM-5827968084 [0,0,0,1,0,0|3,0,0]=4 16 B13R1.3572 CCCCCCNC(=O)C1CCC1 AIFCHEM-94575443708 [0,0,0,1,0,0|1,0,2]=4 17 B10R0.71 CCCCOCCCNCC AIFCHEM-94537416494 [2,0,0,0,0,0|1,0,1]=4 18 B10R0.91 CCCCC(=O)NCCOC AIFCHEM-94534100236 [2,0,0,0,0,0|2,0,0]=4 19 B10R0.91 CCCCC(=O)NCCSC AIFCHEM-94534104594 [2,0,0,0,0,0|2,0,0]=4 20 B10R0.91 CCCCNC(=O)CCSC AIFCHEM-5695482106 [2,0,0,0,0,0|2,0,0]=4 21 B12R0.95 CCCCC(=O)NCCOC(C)C AIFCHEM-94534111292 [1,1,0,0,0,0|2,0,0]=4 22 B14R0.195 CCC(=O)NCCNC(=O)CCC(C)C AIFCHEM-94532536205 [0,2,0,0,0,0|2,0,0]=4 23 B14R0.2341 CCC(=O)NCCNC(=O)CC(C)CC AIFCHEM-94532529046 [0,2,0,0,0,0|2,0,0]=4 24 B14R0.2341 CCC(=O)NCCNC(=O)C[C@@H](C)CC AIFCHEM-94532531654 [0,2,0,0,0,0|2,0,0]=4 25 B14R0.154 CCCCC(=O)NC(C)CC(=O)OCC AIFCHEM-94534108764 [0,2,0,0,0,0|2,0,0]=4 26 B14R0.154 CCCCC(=O)N[C@@H](C)CC(=O)OCC AIFCHEM-94534104658 [0,2,0,0,0,0|2,0,0]=4 27 B14R0.409 CCOC(=O)CCNC(=O)CC(C)CC AIFCHEM-6017478071 [0,2,0,0,0,0|2,0,0]=4 28 B14R0.409 CCOC(=O)CCNC(=O)C[C@@H](C)CC AIFCHEM-6057103287 [0,2,0,0,0,0|2,0,0]=4 29 B14R0.2432 CCCOCC(=O)NCCC(=O)OCC AIFCHEM-6038698531 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.32 O=C(CCO)NC1CC=CCC1 AIFCHEM-5974689311 [1,0,0,1,0,0|2,0,0]=4 31 B12R1.30 CCCCC(=O)N1CCSCC1 AIFCHEM-94534109447 [1,0,0,1,0,0|2,0,0]=4 32 B12R1.30 CCOCC(=O)N1CC=CCC1 AIFCHEM-5963810284 [1,0,0,1,0,0|2,0,0]=4 33 B12R1.53 CCCCC(=O)NC1CC=CC1 AIFCHEM-94534112457 [1,0,0,1,0,0|1,0,0]=3 34 B12R1.563 CCOCCNC(=O)CC1CC1 AIFCHEM-94548615644 [1,0,0,1,0,0|2,0,0]=4 35 B14R1.16 CCCCC(=O)N1CCNC(=O)C1C AIFCHEM-94534105966 [0,1,0,1,0,0|2,0,0]=4 36 B14R1.16 CCCCC(=O)N1CCNC(=O)[C@@H]1C AIFCHEM-94534111124 [0,1,0,1,0,0|2,0,0]=4 37 B14R1.16 CCCCC(=O)N1CCNC(=O)[C@H]1C AIFCHEM-94534112529 [0,1,0,1,0,0|2,0,0]=4 38 B14R1.33 CCCCC(=O)NC1CCC(=O)CC1 AIFCHEM-94534110228 [0,1,0,1,0,0|1,0,1]=4 39 B14R1.2523 CCCCC(=O)N1CCC(=O)CC1C AIFCHEM-94534102606 [0,1,0,1,0,0|1,0,1]=4 40 B14R1.2523 CCCCC(=O)N1CCC(=O)C[C@@H]1C AIFCHEM-94534111147 [0,1,0,1,0,0|1,0,1]=4 41 B14R1.2523 CCCCC(=O)N1CCC(=O)C[C@H]1C AIFCHEM-94534103080 [0,1,0,1,0,0|1,0,1]=4 42 B14R1.158 C#CCCCC(=O)NC1CC=CCC1 AIFCHEM-5945318144 [0,1,0,1,0,0|1,0,1]=4 43 B14R1.158 N#CCCCC(=O)NC1CC=CCC1 AIFCHEM-5912394384 [0,1,0,1,0,0|1,0,1]=4 44 B14R1.3001 CSCCNC(=O)C1CCC=CCC1 AIFCHEM-94598927734 [0,1,0,1,0,0|2,0,0]=4 45 B14R2.2647 CCCNC(=O)C1CC2C=CC1C2 AIFCHEM-5815260016 [0,0,0,2,0,0|2,0,0]=4 46 B14R2.2647 CCCNC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 AIFCHEM-94544251350 [0,0,0,2,0,0|2,0,0]=4