0 B13R1.47 CCOC(=O)C(C)N1CCCCC1 PH011976 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.32 CCNC(=O)CN1CCNCC1 CBR01289 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.32 CCOC(=O)C=C1CCOCC1 PHB00281 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [1,0,0,0,0,0|1,0,2]=4 6 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.34 CCC(Br)C(=O)N1CCOCC1 PH018210 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.36 CCOC(=O)C(Br)C1CCCC(C1)C PH006095 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.604 CCOC(=O)C(=C1CCCCC1)C#N S352284 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.604 CCOC(=O)C(CN)C1CCCCC1 PH019572 [0,1,0,0,0,0|2,0,1]=4 17 B12R0.114 CCOC(=O)C(=O)CCCCCCl CDS020993 [0,0,1,0,0,0|2,0,0]=3 18 B14R2.114 O=C(C1CCCO1)N2CCNCC2 CDS007497 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.55 CCOC(=O)C(=O)C1CCCC1 PH014421 [0,0,0,0,1,0|1,0,0]=2 20 B12R1.55 CCOC(=O)C(Br)C1CCCC1 PH016311 [0,0,0,0,1,0|2,0,1]=4 21 B14R1.29 CCCC(=O)CC(=O)N1CCCCC1 PH016308 [0,0,0,0,0,1|1,0,0]=2 22 B14R1.29 CCCC(=O)CC(=O)N1CCOCC1 PH016296 [0,0,0,0,0,1|2,0,0]=3 23 B14R1.29 CCOC(=O)/C=C(/C)\N1CCOCC1 S941921 [0,0,0,0,0,1|2,0,0]=3 24 B14R1.29 CCOC(=O)C=C(C)N1CCCCC1 S381098 [0,0,0,0,0,1|1,0,0]=2 25 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 CDS005285 [0,0,0,0,0,1|1,0,0]=2 26 B14R1.29 CCOC(=O)CC(=O)N1CCOCC1 PH004564 [0,0,0,0,0,1|1,0,0]=2 27 B11R0.4 CCCCCC#CC(=O)OCC S414107 [1,0,1,0,0,0|1,0,1]=4 28 B11R0.155 CCOC(=O)C(=O)NCCOC OTV000320 [1,0,1,0,0,0|1,0,0]=3 29 B11R0.73 CCCCN(C)C(=O)C(Br)CC PH015204 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 CDS003427 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.40 COC(=O)CN1CCNCC1 CBR01724 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.36 CC(O)C(=O)N1CCCCC1 PH010530 [2,0,0,0,0,0|0,0,2]=4 35 B11R1.36 O=C(O)C(=O)N1CCOCC1 CDS023248 [2,0,0,0,0,0|1,0,0]=3 36 B13R0.275 CCCCCC/C=C(\C)/C(=O)OCC S884383 [0,1,1,0,0,0|2,0,0]=4 37 B13R0.275 CCCCCCNC(=O)C(=O)OCC R622389 [0,1,1,0,0,0|0,0,0]=2 38 B13R1.19 CCOC(=O)NC1CCC(CC1)O EME00426 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.44 CCCOC(=O)NC1CCCCC1 S624802 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.44 O=C(NC1CCCCC1)OCCCl S624934 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.348 CC(C)OC(=O)NC1CCCCC1 S624799 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.470 CCOC(=O)CN1CCCCC1=O PH010201 [1,1,0,0,0,0|0,0,2]=4 43 B13R1.2570 CCOC(=O)CC1(CCCCC1)N CBR01025 [1,1,0,0,0,0|1,0,1]=4 44 B13R1.2570 CCOC(=O)CC1(CCCCC1)O S37339 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.2570 CCOC(=O)CC1(CCCCC1)O S853046 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.449 CCOC(=O)C(=C1CCCC1)C#N S660981 [0,1,0,0,1,0|2,0,0]=4 47 B13R1.2909 CCOC(=O)C(=O)C1CCCC1=O S632414 [0,1,0,0,1,0|1,0,1]=4 48 B15R1.23 CCOC(=O)NC(=S)N1CCN(CC1)C R692891 [0,1,0,0,0,1|1,1,0]=4 49 B15R1.115 C=CCCC(=O)CC(=O)N1CCCCC1 PH014698 [0,1,0,0,0,1|1,0,1]=4 50 B15R1.640 CCOC(=O)C(=CN1CCOCC1)C#N S51196 [0,1,0,0,0,1|2,0,0]=4 51 B15R1.9917 CCCC(C(=O)OCC)N1CCCCC1 PH011974 [0,2,0,0,0,0|1,0,1]=4 52 B13R2.3 C1=C(CCCC1)N2CCCCC2 S414115 [1,0,0,1,0,0|2,0,0]=4 53 B15R2.32 O=C1NCCN(C1=O)C2CCCCC2 PH015953 [0,0,0,1,0,1|2,0,0]=4 54 B15R2.1356 CCOC(=O)C1=CN2CCCCC2=N1 T143448 [0,0,0,1,0,1|1,0,1]=4 55 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [1,0,0,0,1,0|1,0,1]=4 56 B13R1.42 CCOC(=O)CCC1CCCCC1 R278807 [1,0,0,0,0,1|1,0,1]=4 57 B13R1.42 CCOC(=O)CCN1CCNCC1 CDS003594 [1,0,0,0,0,1|1,0,1]=4 58 B13R1.42 CCOC(=O)CCN1CCOCC1 S349437 [1,0,0,0,0,1|1,0,1]=4 59 B13R1.1575 C(=C\1/CCCCCN1)\C(=O)OCC T284157 [1,0,0,0,0,1|1,0,0]=3 60 B13R1.1575 CCOC(=O)NN1CCCCCC1 PH009331 [1,0,0,0,0,1|1,0,0]=3 61 B13R1.2620 CCC(Br)C(=O)N1CCCCCC1 PH015205 [1,0,0,0,0,1|1,0,1]=4 62 B13R1.33 CCOC(=O)/C=C(/C)\N1CCCC1 S672076 [0,0,0,0,1,1|1,0,0]=3