0 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 CCCCC1OCCO1 T330108 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.12 O=C=NCC1CCCO1 CDS023181 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.12 S=C=NCC1CCCO1 S648973 [1,0,0,0,0,0|1,1,1]=4 6 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.25 O=C(CCl)NCC1CCCO1 PH015169 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.510 O=S(=O)(O)OCC1CCCN1 PH009286 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.2 CCCNOCCC(=O)C S581321 [0,0,1,0,0,0|3,0,0]=4 11 B9R0.43 CCC(C=CC(=O)C)CC S361704 [0,0,1,0,0,0|2,0,1]=4 12 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,0,1,0,0,0|3,0,0]=4 13 B11R2.392 O=S1(=O)OC[C@H]2N1CCC2 SYX00081 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.845 CC(=O)C1CC2C=CC1C2 PH000673 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.845 CC(=O)C1CC2CCC1C2 S240249 [0,0,0,1,0,0|2,0,0]=3 16 B11R2.845 O=C(O)C1CC2CCC1C2 S37738 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2 BBO000411 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,0,0,0,1,0|1,0,2]=4 19 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,0,1,0|1,0,0]=2 20 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,0,1,0|1,0,0]=2 21 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,0,1,0|1,0,0]=2 22 B9R1.13 CC(C)CC1CCCN1 CDS005695 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,0,1,0|1,0,0]=2 26 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,0,0,0,0,1|1,0,2]=4 29 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,0,0,0,0,1|0,0,0]=1 33 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.91 O=C(O)CCN1CCCCO1 CBR02338 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.91 O=C([O-])CSC1CCCCO1 S722529 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.172 O=C(O)COCC1CCCN1 CBR01410 [0,0,0,0,0,1|2,0,0]=3 40 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,1,0,0,0|1,0,0]=3 41 B8R0.4 C(=O)NCCOCCO S405213 [1,0,1,0,0,0|2,0,0]=4 42 B8R0.4 CC#CCCCCCO T264709 [1,0,1,0,0,0|1,0,1]=4 43 B8R0.4 CCNCCCCCO PH007898 [1,0,1,0,0,0|1,0,1]=4 44 B8R0.4 CSCCCCCCO S931667 [1,0,1,0,0,0|2,0,0]=4 45 B8R0.7 CC(=O)NCCCCN CDS021099 [1,0,1,0,0,0|2,0,0]=4 46 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,0,1,0,0,0|1,0,0]=3 47 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,0,1,0,0,0|1,0,0]=3 48 B8R0.7 CCCNCCC(=O)O OTV000481 [1,0,1,0,0,0|2,0,0]=4 49 B8R0.7 NC(=O)CCCCCBr CDS003086 [1,0,1,0,0,0|2,0,0]=4 50 B8R0.7 NCCCCCC(=O)N CDS015235 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.7 O=C(O)CCNCCO S888699 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.7 O=C(O)CCOCCO CDS021155 [1,0,1,0,0,0|2,0,0]=4 53 B8R0.9 CC(=O)OCC(O)CCl PH006987 [1,0,1,0,0,0|1,0,0]=3 54 B8R0.9 CC(=O)SCC(C)CCl S344397 [1,0,1,0,0,0|1,1,0]=4 55 B8R0.9 CCC(=O)COC(=O)C S362409 [1,0,1,0,0,0|0,0,2]=4 56 B8R1.8 CCCC1OCCO1 S364665 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.8 [C-]#[N+]CC1CCCO1 PH015408 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,1,0,0,0|2,0,0]=4 59 B10R0.4 COCCOCCOC(=O)C S705659 [0,1,1,0,0,0|0,0,0]=2 60 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,1,1,0,0,0|0,0,0]=2 61 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,1,1,0,0,0|2,0,0]=4 62 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,1,0,0,0|2,0,0]=4 63 B10R0.74 CCCCCCNC(=O)NC S892793 [0,1,1,0,0,0|2,0,0]=4 64 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,1,0,0,0|1,0,0]=3 65 B10R0.84 CCC(COC(=O)C)[N+](=O)[O-] S848859 [0,1,1,0,0,0|2,0,0]=4 66 B10R0.57 CC(=O)OCC(Cl)C(Cl)CCl S502499 [0,1,1,0,0,0|2,0,0]=4 67 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.64 CC(=O)OC1CCC=C1O PH001829 [0,1,0,0,1,0|1,0,1]=4 71 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,1,0,0,1,0|1,0,1]=4 74 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.125 CC(=O)OCC1CC=CCC1C S375284 [0,1,0,0,0,1|1,0,1]=4 76 B12R1.891 CS(=O)(=O)OCC1CCCCC1 T220728 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.891 CS(=O)(=O)OCC1CCOCC1 SYX00044 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.130 CC(=O)OCCN1CCCC1=O PH007489 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.51 CNCC(=O)NCC1CCCO1 PH017397 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.18 CC(C)OC1CCCCO1 T332879 [0,0,1,1,0,0|1,0,1]=4 84 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.31 CNC1CCN(C1)C(=O)C PH019360 [0,0,1,1,0,0|2,0,0]=4 87 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [0,0,1,1,0,0|1,0,0]=3 88 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,0,1,1,0,0|1,0,0]=3 90 B10R2.32 [C@@H]12CCC[C@@H]1C(=O)CC2 T298077 [1,0,0,1,0,0|2,0,0]=4 91 B10R2.178 O=C1NCC2CCC1C2 T298905 [1,0,0,1,0,0|2,0,0]=4 92 B10R2.71 C1(CC2CCC(C1)O2)O T184810 [0,0,0,1,1,0|0,0,2]=4 93 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.2918 O=C1CC2(CCNCC2)CN1 CDS023378 [0,0,0,1,0,1|2,0,0]=4 95 B12R2.1661 CC(=O)OC1CC2CCC1C2 S957747 [0,0,0,1,0,1|1,0,0]=3 96 B12R2.1661 [C@H]12CC[C@H](C1)CC2SC(=O)C S431249 [0,0,0,1,0,1|1,1,0]=4 97 B12R2.1596 COC(=O)C1CC2CCC1C2 S409324 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.2030 N[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O BBO000358 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.84 C[N+]12CCCC1CNC(=O)C2 T299235 [0,1,0,1,0,0|2,0,0]=4 100 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,0,1,0,1,0|0,0,2]=4 101 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,0,1,0,1,0|2,0,0]=4 102 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,0,1,0,1,0|1,0,1]=4 103 B8R1.7 N=C(N)C1CCCO1 PH015042 [0,0,0,0,2,0|2,0,0]=4 104 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,0,0,0,2,0|2,0,0]=4 105 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,0,0,0,2,0|2,0,0]=4 106 B8R1.34 NC(=O)OC1CSC1 T163708 [0,0,0,0,2,0|2,0,0]=4 107 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,0,0,0,2,0|2,0,0]=4 108 B10R1.17 CCNCC1CCCCO1 CBR00835 [1,0,0,0,0,1|1,0,1]=4 109 B10R1.17 CCNCC1CNCCO1 CDS015778 [1,0,0,0,0,1|1,0,1]=4 110 B10R1.17 COCCC1CNCCO1 CBR00148 [1,0,0,0,0,1|2,0,0]=4 111 B10R1.17 O=CCCC1CCCCC1 CDS019184 [1,0,0,0,0,1|2,0,0]=4 112 B12R1.252 CC(=O)NCCC1CCCCN1 CBR01178 [0,0,0,0,0,2|2,0,0]=4 113 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,0,0,0,0,2|0,0,0]=2 114 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [0,0,0,0,0,2|1,0,0]=3