0 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.47 CCCCCC(C)C(C)C 1100-1-08 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [1,0,0,0,0,0|2,0,1]=4 5 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.7 COCCCCB(O)O 6160-1-0F [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 NOCCCCC(=O)O 4121-9-01 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.23 NC(C(=O)O)C1CCCC1 4257-1-22 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.23 O=C(O)C(Br)C1CCCC1 2221-9-00 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.176 CN1CCC(CO)CC1=O 4H56-1-098 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.204 C[C@H](NC1CCC1)C(=O)O 4258-1-49 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.204 NC(CC1CCC1)C(=O)O 4257-1-24 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.363 CC(=O)C1(C)CCOCC1 2H17-1-87 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 4H21-1-SK [0,0,0,1,0,0|1,0,0]=2 21 B10R1.363 C[C@]1(C(=O)O)CCCCN1 4H21-1-RK [0,0,0,1,0,0|1,0,0]=2 22 B10R1.363 NC1(C(=O)O)CCSCC1 8H66-1-8K [0,0,0,1,0,0|2,0,0]=3 23 B7R0.1 CCCCSCCO 6166-1-0L [2,0,0,0,0,0|1,0,1]=4 24 B7R0.4 O=C(O)CCCCO 2120-1-00 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [2,0,0,0,0,0|1,0,0]=3 27 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.24 CCC(C)CCC(C)CC 1100-1-X1 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.48 CCCC(Cl)CCC(=O)Cl 2116-5-26 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [1,0,0,1,0,0|1,0,1]=4 31 B9R1.50 NC1C=CCCCCC1 3430-1-01 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [1,0,0,1,0,0|2,0,0]=4 34 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [1,0,0,1,0,0|2,0,0]=4 37 B9R1.84 O=C(O)\C=C\C1CCC1 2321-1-E1 [1,0,0,1,0,0|0,0,2]=4 38 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [1,0,0,1,0,0|1,0,0]=3 41 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [1,0,0,1,0,0|1,0,0]=3 42 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.77 NC(CC(=O)O)C1CCCC1 4257-1-32 [0,0,0,1,0,1|1,0,0]=3 59 B11R1.35 NC(CC1CCCC1)C(=O)O 4257-1-25 [0,1,0,1,0,0|1,0,0]=3 60 B11R1.35 N[C@H](CC1CCCC1)C(=O)O 4257-1-R6 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)O 2223-1-0L [0,1,0,1,0,0|1,0,1]=4 62 B11R1.991 COCCCC1(C(=O)O)CC1 2221-1-56 [0,1,0,1,0,0|1,0,0]=3 63 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 4257-1-S0 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.266 CNC1CCCN(C(C)=O)C1 4H48-1-UV [0,1,0,1,0,0|2,0,0]=4 65 B11R1.3 COC1CCC(C(=O)Cl)CC1 2216-5-07 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 2229-1-99 [0,1,0,1,0,0|0,0,1]=3 67 B11R1.23 COC(=O)C1CNCC(C)C1 4H23-5-2B [0,1,0,1,0,0|1,0,0]=3 68 B11R1.31 COC(=O)[C@@H](N)C1CCCC1 4258-5-S2 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.852 COC(=O)C1=CCCCCC1 2423-1-06 [0,1,0,1,0,0|0,0,2]=4 70 B11R1.878 COC(=O)C1(C)CCCNC1 4H23-5-2A [0,1,0,1,0,0|1,0,0]=3 71 B11R1.878 COC(=O)C1(C)COCCN1 4H58-5-3W [0,1,0,1,0,0|2,0,0]=4 72 B11R1.878 COC(=O)C1(F)CCOCC1 2H23-3-23 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.878 COC(=O)C1(N)CCNCC1 4H58-5-9Z [0,1,0,1,0,0|2,0,0]=4 74 B11R1.298 CCC(C(=O)O)N1CCCC1 4H58-1-564 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.298 CC[C@@H](C(=O)O)N1CCCC1 4H58-1-S23 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.298 CC[C@H](C(=O)O)N1CCCC1 4H58-1-R23 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.1074 NCC1(C(=O)O)CCOCC1 4H57-5-18 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.743 O=C(O)C1CC(OC(F)F)C1 2221-3-0K [0,1,0,1,0,0|2,0,0]=4 79 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2 4H58-9-64 [0,0,0,2,0,0|1,0,0]=3 80 B11R2.845 [C@H]1(C(=O)O)C[C@H]2CCN1C2 4H33-5-1W [0,0,0,2,0,0|1,0,0]=3 81 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 4H21-5-S0 [0,0,0,2,0,0|1,0,0]=3 82 B11R2.12 O=C1CCC12CCCCC2 2217-1-0F [0,0,0,2,0,0|1,0,0]=3 83 B11R2.12 O=C1NCC12CCCNC2 4H48-1-016 [0,0,0,2,0,0|2,0,0]=4 84 B11R2.12 OC1CCC12CCCCC2 2202-1-0D [0,0,0,2,0,0|1,0,1]=4 85 B11R2.1867 O=C(O)C1CC2(CCC2)C1 2221-1-28 [0,0,0,2,0,0|0,0,0]=2 86 B11R2.1867 O=C(O)C1CC2(COC2)C1 2H22-1-00 [0,0,0,2,0,0|1,0,0]=3 87 B11R2.813 O=C(O)C12CNCCC1C2 4H33-5-1R [0,0,0,2,0,0|1,0,0]=3