0 B8R0.7 C(=O)OCCCC(=O)C R396036 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 C=CCOCCC(=O)O CDS000343 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.7 CC(=CCCCCBr)C PH009497 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 CC(=O)NCCCCN CDS021099 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.7 CCCC[Hg]OC(=O)C S814512 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.7 NCCCCCC(=O)N CDS015235 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C(=O)NCCCOC S363286 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 C/C=C\CCCCO S310700 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 C=CCCCCCO S303445 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.1 CCCCCON=O CDS000385 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.1 CCOCCCNN PH019429 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 C#CCOCC(=O)C S38874 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 C/C(=C\CCCBr)/Br S877557 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 C=C=CCCC(=O)O CVT00110 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 C=CCCOC(=O)C S510343 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.4 C=CCOCC(=O)O CDS023318 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 C=COCCN(C)C S441066 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 C=CSCCN(C)C S339865 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 CC(=O)NCCCO OTV000276 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 CC(=O)OCCCS S786683 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.4 CC(C)OCCCO CBR02059 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CCC/C=C/C(=O)C CDS001219 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.4 CCCCNC(=O)C CDS013581 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.4 CNCCCC(=O)O PH006886 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 COCCCC(=O)O CDS021485 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CSCCCC(=O)O OTV000795 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CSCCOC(=O)C S375721 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.4 N#CCCCC(=O)O CDS007802 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 NC(=O)CCCCO S441481 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.1 COC(C)CCOC(=O)C CDS000509 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.46 CCCCCNC(=O)CCl S627690 [0,1,0,0,0,0|1,0,2]=4 34 B9R0.46 COC(=O)CCCCCBr S125334 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.46 COCCCNC(=O)CCl PH017216 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.55 CC(=O)NCCNC(=O)C S389382 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.55 O=C([O-])CCCCC(=O)[O-] S566012 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,1,0,0|0,0,2]=3 45 B9R1.41 CC(=O)C1=C(CCC1)C R426032 [0,0,0,1,0,0|1,0,1]=3 46 B9R1.41 CC(=O)N1CCNC1=O R593206 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.41 NC(=O)N1CCCC1=O R100803 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.50 O=C1C=CCCC=CC1 T182001 [0,0,0,1,0,0|1,0,1]=3 50 B9R1.50 O=C1CC=CCC=CC1 T179361 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.50 O=C1CC=CCC=CC1 T181854 [0,0,0,1,0,0|1,0,2]=4 52 B9R1.50 O=C1CC=CCCOC1 T168858 [0,0,0,1,0,0|2,0,0]=3 53 B6R0.6 C=CCNCC=C CDS000449 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.6 C=CCSCCC S357391 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.6 CCCCNC=O S550981 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.6 COCCCC=O CDS022820 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.6 COCCNC=O PH007296 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.6 [C-]#[N+]CCCOC PH015420 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.4 C=CCCC(C)C R289442 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 C=CCNC(=O)C EME00415 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.4 C=CCOC(=S)N PH008714 [2,0,0,0,0,0|1,1,0]=4 62 B6R0.4 C=COCC(=C)C T284386 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CC(=O)NCCCl CDS001220 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 CC(=O)OCCS S363049 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.4 CCC#CC(=O)C CDS000006 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 CCCC=C(C)C S419117 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CCCSC(=O)C CDS000298 [2,0,0,0,0,0|0,1,0]=3 68 B6R0.4 CCSCC(=O)C S614262 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.4 NC(=O)CCCCl OTV000845 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 O=C(O)CCCS CDS004545 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.6 O=CCCCC(O)C=O PH009970 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.8 C=CCCC(O)C(=C)C S885347 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.9 CC(=O)OCC(O)CCl PH006987 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.9 CC(=O)SCC(C)CCl S344397 [1,1,0,0,0,0|1,1,0]=4 76 B8R0.9 CCC(=O)COC(=O)C S362409 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.21 CCCCOS(=O)(=O)C CDS014297 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.28 C=C(C)CCOC(=O)C S881171 [1,1,0,0,0,0|0,0,0]=2 79 B8R0.28 C=C(C)CNCC(=C)C PH015281 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.28 C=C(C)CSCC(=C)C S432687 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.28 CC(=O)CCCC(=O)N PH008391 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,1,0,0,0,0|0,0,2]=4 83 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.28 CC(=O)CCC[N+](=O)[O-] S885983 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.28 CC(=O)CCOC(=O)C PH003361 [1,1,0,0,0,0|0,0,1]=3 86 B8R0.28 CC(=O)COCC(=O)C S38912 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.28 CC(=O)OCCN(C)C PH011981 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [1,1,0,0,0,0|2,0,0]=4 89 B10R0.57 CC(=O)OCC(Cl)C(Cl)CCl S502499 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.4 COCCOCCOC(=O)C S705659 [0,2,0,0,0,0|0,0,2]=4 91 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,2,0,0,0,0|0,0,2]=4 92 B10R0.55 C(=C/C(=O)OC)\CCC(=C)C T252778 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,2,0,0,0,0|0,0,2]=4 94 B10R0.97 CC(=O)NCSCCC(=O)O CDS005207 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.18 C=CCCC(=O)CC(=O)OC T272175 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,2,0,0,0,0|0,0,2]=4 97 B10R0.42 C=CCCCC(C)(C)C(=O)O PH002545 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.8 CCCC1C=CCC1 R289795 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.22 O=C1C=CCCC=C1 T167258 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.49 C1=CCOCCCC1 T177512 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 CCC1CNC(=O)C1 CBR00057 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.1 CCC1COC(=O)N1 CBR02121 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.1 O=C1CC(CN1)CO CDS002555 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.1 O=C1OCC(O1)CCl S416657 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 CC1=CCCC(=O)C1 PH000095 [1,0,0,1,0,0|0,0,2]=4 107 B8R1.4 NC1=CC(=O)CCC1 S897639 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.4 NC1CCNC(=O)C1 CDS024233 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 T272566 [0,1,0,1,0,0|0,0,1]=3 111 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.485 C=CC1(C=C(CCC1)C)O T231118 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.485 C=CC1(CCCC(=O)C1)C T294519 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,1,0,1,0,0|1,0,0]=3 116 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.64 CC(=O)OC1CCC=C1O PH001829 [0,1,0,1,0,0|0,0,0]=2 118 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.130 C=CCC1CC(=O)OC1=O CDS000319 [0,1,0,1,0,0|0,0,1]=3 120 B10R1.1 C=CCC1=CCC(=O)CC1 T220620 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.1 C=CCC1C=CC(=O)CC1 T220426 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.1 C=CCN1CCC(=O)CC1 CDS014282 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.71 O=C1CCCCC(=O)CC1 S879320 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [0,1,0,1,0,0|0,0,2]=4 125 B10R1.363 CC(=O)C1(C=CCCC1)C T166812 [0,1,0,1,0,0|1,0,0]=3 126 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [0,1,0,1,0,0|2,0,0]=4 127 B10R2.62 O=C1CC2C=CC1CC2 T287628 [0,0,0,2,0,0|1,0,0]=3 128 B10R2.351 O=C(O)C1C2C1CC=C2 T188301 [0,0,0,2,0,0|2,0,0]=4 129 B10R2.32 O=C1CCC2N1C=CC2 PH015928 [0,0,0,2,0,0|2,0,0]=4