0 B10R1.66 CC(=O)OCC1=CC=CO1 2H23-1-16 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.66 O=C(Cl)CCC1CCCC1 2216-5-08 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 O=C(O)CCC1CCCO1 2H21-1-0X [0,0,0,0,0,0|2,0,0]=2 3 B10R1.66 O=C(O)COC1CCCC1 2221-1-0H [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 O=[N+]([O-])CCC1OCCO1 4H54-1-5N [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 CCCCC1CCCN1 3H31-1-FC [1,0,0,0,0,0|2,0,1]=4 6 B9R1.12 COCCC1CCCN1 4H07-1-78 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.12 O=CCCC1CCCC1 2215-1-09 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.25 C=CC(=O)OCC1CCCO1 2H24-1-00 [0,1,0,0,0,0|0,0,1]=2 9 B11R1.25 CC(CN)OCC1CCCO1 4H30-1-5H [0,1,0,0,0,0|1,0,1]=3 10 B11R1.25 CCC(=O)OCC1CCCO1 2H23-1-1H [0,1,0,0,0,0|0,0,0]=1 11 B11R1.25 COC(=O)CCC1CCCC1 2223-1-0Q [0,1,0,0,0,0|2,0,0]=3 12 B11R1.25 COC(=O)CCC1CCNC1 4H58-1-9N [0,1,0,0,0,0|3,0,0]=4 13 B11R1.25 COC(=O)CNC1CCCC1 4256-5-0J [0,1,0,0,0,0|3,0,0]=4 14 B11R1.25 COC(=O)\C=C\C1CCCC1 2323-1-0R [0,1,0,0,0,0|2,0,1]=4 15 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 4257-1-S6 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.510 CC(C)(C)OCC1CCCO1 2H10-1-97 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.2 C#CCOCCOC(C)=O 2523-1-04 [0,0,1,0,0,0|0,0,2]=3 18 B9R0.2 C=C(C)CCCCCCC 1300-1-34 [0,0,1,0,0,0|3,0,0]=4 19 B9R0.2 C=C(C)CCCCCCCl 1300-5-31 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.2 CC(=O)CCOCCCCl 2117-5-0C [0,0,1,0,0,0|3,0,0]=4 21 B9R0.2 CC(=O)CCOCCCF 2117-3-0N [0,0,1,0,0,0|3,0,0]=4 22 B9R0.2 CC(=O)OCCCCCCl 2123-5-11 [0,0,1,0,0,0|1,0,0]=2 23 B9R0.2 CC(=O)\C=C\CCCCO 2320-1-01 [0,0,1,0,0,0|1,0,1]=3 24 B9R0.2 CCCCCCCC(=O)Cl 2116-5-15 [0,0,1,0,0,0|3,0,0]=4 25 B9R0.2 CCCCC\C=C\C(C)=O 2317-1-0A [0,0,1,0,0,0|2,0,1]=4 26 B9R0.2 CC\C=C/CCOC(C)=O 2323-1-Z0 [0,0,1,0,0,0|1,0,1]=3 27 B9R0.43 CCC(COC(C)=O)OC 2123-1-1G [0,0,1,0,0,0|0,0,0]=1 28 B9R0.48 CCCC(C)COC(C)=O 2123-1-1F [0,0,1,0,0,0|1,0,0]=2 29 B9R0.48 CCOC(=O)CNC(C)=O 4158-1-25 [0,0,1,0,0,0|2,0,1]=4 30 B11R2.392 O=S1(=O)OCC2CCCN21 8H70-1-2E [0,0,0,1,0,0|3,0,0]=4 31 B11R2.392 O=S1(=O)OC[C@@H]2CCCN21 8H70-1-SD [0,0,0,1,0,0|3,0,0]=4 32 B11R2.392 O=S1(=O)OC[C@H]2CCCN21 8H70-1-RD [0,0,0,1,0,0|3,0,0]=4 33 B11R2.748 O=C1CC2(CCCC2)CN1 4H48-1-02M [0,0,0,1,0,0|2,0,0]=3 34 B11R2.748 O=C1CC2(CCNC2)CN1 4H48-5-BE [0,0,0,1,0,0|3,0,0]=4 35 B11R2.845 CC(=O)C1CC2C=CC1C2 2417-1-14 [0,0,0,1,0,0|2,0,1]=4 36 B11R2.845 CC(=O)C1CC2CCC1C2 2217-1-37 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.13 CC(=O)NC1CCCC1 4248-1-0F [0,0,0,0,1,0|2,0,0]=3 38 B9R1.13 CC(=O)N[C@@H]1CCNC1 4H48-1-R3 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.13 CC(=O)N[C@H]1CCNC1 4H48-1-S4 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.13 CN(C)C[C@@H]1CCCN1 3H31-5-S0 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.13 NC(=O)CN1CCCC1 4H48-1-030 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.13 O=C(O)CC1CCCO1 2H21-1-0B [0,0,0,0,1,0|1,0,0]=2 43 B9R1.13 O=C(O)CC1CCNC1 4H21-1-W3 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.13 O=C(O)CC1CCNC1 4H58-1-H4 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.13 O=C(O)CC1CCOC1 2H21-1-59 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.91 CC(=O)OCC1CCCCC1 2223-1-0V [0,0,0,0,0,1|1,0,0]=2 47 B11R1.91 O=C(O)CCC1CCCCC1 2221-1-0D [0,0,0,0,0,1|3,0,0]=4 48 B8R0.4 CCCCCCOCC 2107-1-14 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.7 C=C(C)CCCCCCl 1300-5-32 [1,0,1,0,0,0|2,0,0]=4 50 B8R0.7 CC(=O)CCOCCBr 2117-9-00 [1,0,1,0,0,0|1,0,0]=3 51 B8R0.7 CC(=O)CCOCCCl 2117-5-0A [1,0,1,0,0,0|1,0,0]=3 52 B8R0.7 CC(=O)COCCCCl 2117-5-0D [1,0,1,0,0,0|2,0,0]=4 53 B8R0.7 CC(=O)COCCCF 2117-3-1G [1,0,1,0,0,0|2,0,0]=4 54 B8R0.7 CC(=O)OCCCCBr 2123-9-19 [1,0,1,0,0,0|1,0,0]=3 55 B8R0.7 CC(=O)OCCCCCl 2123-5-0W [1,0,1,0,0,0|1,0,0]=3 56 B8R0.7 CC(=O)OCCCCI 2123-H-02 [1,0,1,0,0,0|1,0,0]=3 57 B8R0.7 CCCCCCC(C)=O 2117-1-X1 [1,0,1,0,0,0|1,0,0]=3 58 B8R0.7 CCCCCO[N+](=O)[O-] 4154-1-0B [1,0,1,0,0,0|2,0,0]=4 59 B8R0.7 CSCCCOC(C)=O 6166-1-0K [1,0,1,0,0,0|1,0,0]=3 60 B8R0.7 NC(=O)CCCCCBr 4148-9-07 [1,0,1,0,0,0|2,0,0]=4 61 B8R0.7 NCCCCCC(=O)O 4157-1-0B [1,0,1,0,0,0|2,0,0]=4 62 B8R0.7 O=C(O)CCCCCCl 2121-5-06 [1,0,1,0,0,0|2,0,0]=4 63 B8R0.7 O=C(O)CCCCCO 2129-1-0D [1,0,1,0,0,0|1,0,0]=3 64 B8R0.9 CC(=O)OCC(C)CBr 2123-9-0N [1,0,1,0,0,0|1,0,0]=3 65 B8R0.9 CCC(C)COC(=O)Cl 2116-5-28 [1,0,1,0,0,0|1,0,0]=3 66 B8R0.1 CCCCC(O)CCC 2102-1-0D [1,0,1,0,0,0|1,0,1]=4 67 B8R1.8 COCC1CCCN1 4H33-5-0Q [2,0,0,0,0,0|1,0,0]=3 68 B8R1.8 COCC1CCNC1 4H07-5-1C [2,0,0,0,0,0|2,0,0]=4 69 B8R1.8 COC[C@H]1CCCN1 4H07-1-Z4 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.8 N#CCC1CCCO1 4H37-1-6L [2,0,0,0,0,0|1,0,1]=4 71 B10R0.3 CC(C)=CCCC(C)CCO 2301-1-07 [0,1,1,0,0,0|2,0,0]=4 72 B10R0.3 CCCC(S)CCOC(C)=O 6160-1-X2 [0,1,1,0,0,0|1,0,0]=3 73 B10R0.4 O=C(O)CCCCCCCO 2129-1-51 [0,1,1,0,0,0|2,0,0]=4 74 B10R0.74 CCCCCCCC(=O)CC 2117-1-07 [0,1,1,0,0,0|2,0,0]=4 75 B10R0.74 CCCCCCCC(=O)OC 2123-1-50 [0,1,1,0,0,0|2,0,0]=4 76 B10R0.74 COC(=O)CCCCCCBr 2123-9-0P [0,1,1,0,0,0|2,0,0]=4 77 B10R0.74 COC(=O)CCCCCCN 4158-5-0C [0,1,1,0,0,0|2,0,0]=4 78 B10R0.74 COC(=O)\C=C\CCCCO 2329-1-02 [0,1,1,0,0,0|1,0,1]=4 79 B10R0.78 CC(=O)NCC(Cl)CCCCl 4148-5-06 [0,1,1,0,0,0|2,0,0]=4 80 B10R0.96 CC(=O)OCC(C)OC(C)=O 2123-1-83 [0,1,1,0,0,0|0,0,1]=3 81 B10R1.11 CCOC(=O)C1CCCO1 2H23-1-1B [1,1,0,0,0,0|0,0,2]=4 82 B10R1.21 O=CCCCC1OCCO1 2H15-1-12 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.29 O=CCCC1CCCC1=O 2217-1-04 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 2323-1-37 [0,1,0,0,1,0|1,0,1]=4 85 B10R1.54 O=C(O)CC1CCC(=O)O1 2H21-1-09 [0,1,0,0,1,0|1,0,1]=4 86 B10R1.64 CC(=O)OC1CCNC1=O 4H48-1-CL [0,1,0,0,1,0|2,0,0]=4 87 B10R1.204 N[C@H](CC1CCC1)C(=O)O 4257-1-RB [0,1,0,0,1,0|2,0,0]=4 88 B12R1.891 CS(=O)(=O)OCC1CCCCC1 6264-1-01 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.477 COC(=O)CCNC1CCCC1 4231-1-01 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.51 CCCC(=O)OCC1CCCO1 2H23-1-0L [0,2,0,0,0,0|0,0,0]=2 91 B10R1.10 CCCC1CCCC(=O)C1 2217-1-34 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.10 O=C1CN(CCO)CCN1 4H48-1-6S [0,0,1,1,0,0|2,0,0]=4 93 B10R1.18 CC(=O)N[C@H]1CCCNC1 4H48-4-S1 [0,0,1,1,0,0|2,0,0]=4 94 B10R1.61 O=C(O)C1CCCCC1O 2229-1-1P [0,0,1,1,0,0|2,0,0]=4 95 B10R1.113 O=C(O)C1CCCC(O)C1 2229-1-0Z [0,0,1,1,0,0|2,0,0]=4 96 B10R2.138 C1CC2CCC(CN1)O2 4H56-1-372 [1,0,0,1,0,0|1,0,1]=4 97 B10R2.483 C1CNC2(C1)CCOC2 4H56-5-2P [1,0,0,1,0,0|1,0,1]=4 98 B10R2.2 O=C1CC2CNCC2C1 4H56-5-D3 [0,0,0,1,1,0|2,0,0]=4 99 B10R2.2 O=C1CC2CSCC2C1 6H66-1-62 [0,0,0,1,1,0|2,0,0]=4 100 B10R2.71 O=C1CC2C=CC(C1)O2 4H17-1-2Z [0,0,0,1,1,0|0,0,2]=4 101 B10R2.71 O=C1CC2CCC(C1)C2 2217-1-30 [0,0,0,1,1,0|1,0,0]=3 102 B10R2.71 O=C1CC2CCC(C1)O2 4H17-1-1Z [0,0,0,1,1,0|0,0,0]=2 103 B10R2.316 O=C1CC2(CCCC2)N1 4H48-1-09Z [0,0,0,1,1,0|2,0,0]=4 104 B10R2.638 O=C(O)C1CC12CCC2 2221-1-X6 [0,0,0,1,1,0|2,0,0]=4 105 B12R2.24 O=C1CCC2CCCCC2C1 2217-1-27 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.2918 O=C1CC2(CCCCC2)CN1 4H48-1-JW [0,0,0,1,0,1|2,0,0]=4 107 B12R2.2918 O=C1CC2(CCCNC2)CN1 4H48-1-0AB [0,0,0,1,0,1|2,0,0]=4 108 B12R2.2918 O=C1CC2(CCNCC2)CN1 4H48-1-68 [0,0,0,1,0,1|2,0,0]=4 109 B12R2.2918 O=C1CC2(CCOCC2)CN1 4H48-1-AR [0,0,0,1,0,1|2,0,0]=4 110 B12R2.5121 O=C1CCCC2(C1)OCCO2 2H10-1-84 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.253 O=C(O)C1CC2CCC(C1)O2 2H21-1-47 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.783 O=C1CC2(CCCC2)C(=O)O1 2H26-1-X6 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.630 CN1C2CCC1CC(=O)NC2 4H48-1-6Z [0,1,0,1,0,0|2,0,0]=4 114 B8R0.16 C=CC(CC)OC(C)=O 2324-1-0G [0,0,1,0,1,0|1,0,1]=4 115 B8R1.7 CC(=O)C1=CCCC1 2417-1-0J [0,0,0,0,2,0|1,0,1]=4 116 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [0,0,0,0,2,0|1,0,0]=3 117 B8R1.7 CC(=O)C1CCNC1 4H17-5-3H [0,0,0,0,2,0|2,0,0]=4 118 B8R1.7 O=C(O)C1CCCC1 2221-1-Y5 [0,0,0,0,2,0|2,0,0]=4 119 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [0,0,0,0,2,0|2,0,0]=4 120 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [0,0,0,0,2,0|1,0,0]=3 121 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [0,0,0,0,2,0|2,0,0]=4 122 B8R1.34 CC(=O)CC1COC1 2H17-1-01 [0,0,0,0,2,0|1,0,0]=3 123 B8R1.34 O=C(O)CC1CCC1 2221-1-52 [0,0,0,0,2,0|1,0,0]=3 124 B8R1.34 O=C(O)CC1COC1 2H21-1-45 [0,0,0,0,2,0|2,0,0]=4 125 B8R1.35 CC(=O)NCC1CC1 4248-1-00 [0,0,0,0,2,0|1,0,0]=3 126 B8R1.35 O=C(O)CCC1CC1 2221-1-24 [0,0,0,0,2,0|2,0,0]=4