0 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 N#CC(O)CCCCO 4137-1-11 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 CCCCSCCO 6166-1-0L [1,0,0,0,0,0|2,0,0]=3 4 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.24 CCC(C)CCC(C)CC 1100-1-X1 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 2104-1-0G [0,1,0,0,0,0|0,0,0]=1 7 B9R0.34 CCOC(=O)CC(O)CCl 2129-5-07 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.34 CCOC(=O)CC(O)CI 2129-H-02 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.47 CCCCCC(C)C(C)C 1100-1-08 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.50 CCN(CC)CCCCBr 3132-9-01 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.50 CCN(CC)CCCCCl 3132-5-09 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 CC1CCC(CCl)CC1 1200-6-00 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.1 CN1CCC(CBr)CC1 3H32-9-5T [0,0,0,1,0,0|3,0,0]=4 14 B9R1.1 COC1CCC(N)CC1 4233-5-04 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.1 NC[C@H]1CC[C@H](O)CC1 4256-5-46 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.5 CC1CCNCCN1C 3H31-1-9T [0,0,0,1,0,0|3,0,0]=4 18 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.7 CN1CCC(CCO)C1 4H56-1-782 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.17 NCCOCC1CCC1 4256-1-15 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.21 OCC1CCC(CO)N1 4H04-1-16 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.49 CN1CCCC(N)CC1 3H32-1-AY [0,0,0,1,0,0|2,0,0]=3 23 B9R1.50 NC1C=CCCCCC1 3430-1-01 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.89 CCN1CCCCCC1 3H32-1-FY [0,0,0,1,0,0|2,0,0]=3 25 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.118 N#CC1(Br)CCCCC1 3237-9-01 [0,0,0,1,0,0|2,0,1]=4 27 B6R0.6 CCNCCOC 4156-1-3Q [2,0,0,0,0,0|2,0,0]=4 28 B6R0.1 CCC(C)CNC 3131-5-05 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,1,0,0,0,0|0,0,1]=3 30 B8R0.5 CCCC(=O)CC(C)C 2117-1-0K [1,1,0,0,0,0|1,0,1]=4 31 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.41 CCN(CC)CCCCCBr 3132-9-00 [0,2,0,0,0,0|2,0,0]=4 33 B10R0.41 CCN(CC)CCCCCCl 3132-5-08 [0,2,0,0,0,0|2,0,0]=4 34 B10R0.5 CCOCCC(O)C(F)(F)F 2107-3-87 [0,2,0,0,0,0|2,0,0]=4 35 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [1,0,0,1,0,0|2,0,0]=4 36 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [1,0,0,1,0,0|1,0,0]=3 37 B8R1.2 CC[C@@H]1CNCCO1 4H56-1-R50 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.2 CC[C@H]1CNCCO1 4H56-1-S50 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.2 COC1CCCCC1 2207-1-07 [1,0,0,1,0,0|1,0,0]=3 40 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [1,0,0,1,0,0|2,0,0]=4 41 B8R1.2 FCC1CCNCC1 3H31-7-0N [1,0,0,1,0,0|2,0,0]=4 42 B8R1.2 ICC1CCNCC1 3H31-M-05 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.2 OCC1CCCNC1 4H56-1-910 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.5 C[C@@H]1CNCCN1C 3H31-1-R0 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.5 C[C@H]1CNCCN1C 3H31-1-S0 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.8 CCO[C@H]1CCNC1 4H07-1-7E [1,0,0,1,0,0|2,0,0]=4 48 B8R1.8 NNCC1CCCC1 3239-1-02 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.8 OCCC1CCCC1 2201-1-0D [1,0,0,1,0,0|1,0,0]=3 50 B8R1.8 OCCC1CCNC1 4H56-1-327 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.10 CNCCC1CCC1 3231-1-07 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.22 CC1CCCCCN1 3H31-1-F4 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.36 OCCCCC1CN1 4H56-1-513 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.1 CCN1CC[C@H](N)C1 3H33-5-24 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.3 CN1CCC(Br)CC1 3H32-9-AF [1,0,0,1,0,0|2,0,0]=4 56 B8R1.38 NC(CO)C1CCC1 4256-5-57 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.38 N[C@@H](CO)C1CCC1 4256-5-R1 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.38 N[C@H](CO)C1CCC1 4256-5-S1 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.52 OC1(CF)CCNC1 4H56-7-70 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.52 OCC1(O)CCNC1 4H04-5-06 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [1,0,0,1,0,0|2,0,0]=4 62 B8R1.4 CN1CCCC(Br)C1 3H32-9-A9 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [1,0,0,1,0,0|1,0,0]=3 65 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [1,0,0,1,0,0|1,0,0]=3 66 B8R1.6 CCOC1CC(N)C1 4256-5-0D [1,0,0,1,0,0|2,0,0]=4 67 B8R1.6 COCC1CC(N)C1 4256-1-0K [1,0,0,1,0,0|2,0,0]=4 68 B8R1.6 COC[C@H]1C[C@@H](N)C1 4256-5-Z4 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.35 CC(C)CNC1CC1 3231-1-08 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.72 CC1(F)CCNCC1 3H31-7-65 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.72 CC1(O)CCOCC1 2H10-1-Z0 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.13 CC(C)N1CCC(O)CC1 4H01-1-BR [0,1,0,1,0,0|1,0,0]=3 73 B10R1.10 CCCN1CCCC(O)C1 4H56-1-0P4 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.15 N[C@H](CO)C1CCCCC1 4256-1-37 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.232 NCC1(O)CCCCCC1 4230-1-00 [0,1,0,1,0,0|1,0,0]=3 76 B10R1.3 CCN1CCC(CN)CC1 3H30-1-VQ [0,1,0,1,0,0|2,0,0]=4 77 B10R1.1 CCCC1CCC(N)CC1 3230-1-0M [0,1,0,1,0,0|1,0,0]=3 78 B10R1.1 OC1CCN(CCF)CC1 4H01-3-X5 [0,1,0,1,0,0|1,0,0]=3 79 B10R1.161 O=CC1CCCCCCC1 2215-1-07 [0,1,0,1,0,0|0,0,1]=3 80 B10R1.262 CCOC1CC(N)C1(C)C 4256-1-0L [0,1,0,1,0,0|2,0,0]=4 81 B10R2.335 OC1CCC2(CC1)CC2 2202-1-0B [0,0,0,2,0,0|0,0,0]=2 82 B10R2.408 C1CC2CNCC(C1)C2 3H31-5-0C [0,0,0,2,0,0|2,0,0]=4 83 B10R2.2 [C@@H]12CNC[C@@H]1C[C@H](O)C2 4H56-5-A0 [0,0,0,2,0,0|1,0,0]=3 84 B10R2.1 NC1CC12CCCCC2 3230-5-11 [0,0,0,2,0,0|2,0,0]=4 85 B10R2.484 C1CC2(CCN1)CCO2 4H56-1-6L [0,0,0,2,0,0|1,0,0]=3 86 B10R2.484 C1CC2(CCOCC2)N1 4H56-1-04A [0,0,0,2,0,0|2,0,0]=4 87 B10R2.484 C1CCC2(CCC2)NC1 3H31-5-29 [0,0,0,2,0,0|2,0,0]=4 88 B10R2.484 C1CNCC2(C1)CCO2 4H22-1-39 [0,0,0,2,0,0|1,0,0]=3 89 B10R2.484 C1CNCC2(C1)CCO2 4H56-1-0K1 [0,0,0,2,0,0|1,0,0]=3 90 B10R2.484 C1COCC2(C1)CCN2 4H56-1-03Z [0,0,0,2,0,0|2,0,0]=4