0 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 CCCCCCCC(=O)CC S544043 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.74 CCCCCCNC(=O)NC S892793 [0,0,0,0,0,0|2,0,1]=3 6 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,0,0,0,0,0|0,0,2]=3 8 B9R0.2 COCCCCCC(=O)O CBR00492 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [1,0,0,0,0,0|0,0,2]=3 10 B9R0.46 CCCCC#CC(=O)OC PH000094 [1,0,0,0,0,0|0,0,2]=3 11 B9R0.46 CCCCCNC(=O)CCl S627690 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.46 COC(=O)CCCCCBr S125334 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.4 CCCCCC#CC(=O)OCC S414107 [0,1,0,0,0,0|0,0,2]=3 14 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,1,0,0,0,0|1,0,2]=4 15 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,1,0,0,0,0|0,0,2]=3 16 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,1,0,0,0,0|1,0,2]=4 17 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [0,0,0,1,0,0|0,0,2]=3 19 B11R1.27 CCCCSC1=CC(=O)CC1 T217042 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [0,0,0,1,0,0|0,0,0]=1 21 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,0,0,1,0,0|2,0,1]=4 22 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,0,0,1,0,0|1,0,2]=4 24 B11R1.40 COC(=O)CN1CCNCC1 CBR01724 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,0,0,1,0,0|1,0,0]=2 26 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,0,1,0,0|1,0,2]=4 27 B11R1.214 CCCCC1=CC=C(S1)CC TMT00664 [0,0,0,1,0,0|1,1,1]=4 28 B11R1.222 COC(=O)C1CCCCC1O S764612 [0,0,0,1,0,0|1,0,2]=4 29 B11R1.222 COC(=O)C1NCCCC1O PH015818 [0,0,0,1,0,0|2,0,1]=4 30 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.7 CC(=CCCCCBr)C PH009497 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.7 CC(=O)NCCCCN CDS021099 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [2,0,0,0,0,0|0,0,2]=4 34 B8R0.7 CCCCCOC(=O)Cl CDS000346 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.7 CCCCOCC(=O)O CDS008145 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.7 CCCC[Hg]OC(=O)C S814512 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.7 CCCNCCC(=O)O OTV000481 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.7 CCSCCCC(=O)O PH008798 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.6 C#CCCCC(=O)OC T287598 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.6 CCC/C=C/C(=O)OC R436038 [2,0,0,0,0,0|0,0,0]=2 41 B8R0.6 CCCCCC(=O)NN S849049 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.6 CCCCCC(=O)SC CDS010601 [2,0,0,0,0,0|0,1,0]=3 43 B8R0.6 CCCCNC(=O)OC S352683 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.6 CCOCCC(=O)OC PH000125 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.6 CCSCCC(=O)OC S365688 [2,0,0,0,0,0|1,0,0]=3 46 B10R0.4 CC(=CCCCCCCBr)C S793051 [1,1,0,0,0,0|1,0,1]=4 47 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,1,0,0,0,0|0,0,0]=2 48 B10R0.4 CCCCCCC#CC(=O)O S354023 [1,1,0,0,0,0|0,0,2]=4 49 B10R0.4 CCCCCCCNC(=O)C R704377 [1,1,0,0,0,0|0,0,2]=4 50 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [1,1,0,0,0,0|1,0,0]=3 51 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [1,1,0,0,0,0|0,0,2]=4 53 B10R0.78 CCCNC(=O)/C=C/C(=O)O S618845 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.83 COC(=O)C(Br)CCCCBr S943185 [1,1,0,0,0,0|1,0,1]=4 55 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,2,0,0,0,0|0,0,2]=4 56 B12R0.49 CCCCC#C/C=C(\C)/C(=O)OC S882127 [0,2,0,0,0,0|0,0,1]=3 57 B12R0.114 CCOC(=O)C(=O)CCCCCCl CDS020993 [0,2,0,0,0,0|1,0,1]=4 58 B12R0.239 CCCCOC(=O)CC(=O)OCC S810886 [0,2,0,0,0,0|1,0,1]=4 59 B12R0.184 COC(=O)NCCCCNC(C)C PH013070 [0,2,0,0,0,0|1,0,1]=4 60 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,2,0,0,0,0|0,0,2]=4 61 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,2,0,0,0,0|0,0,2]=4 62 B12R0.240 COC(=O)/C=C(\C)/CCC=C(C)C CDS001198 [0,2,0,0,0,0|0,0,2]=4 63 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,0,0,1,0,0|0,0,2]=4 64 B10R1.18 CC(=CN1CCCCC1)C S354880 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,1,0,0|0,0,2]=4 66 B10R1.18 CC(=O)CN1CCCCC1 R433675 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [1,0,0,1,0,0|1,0,1]=4 69 B10R1.18 O=C(O)CN1CCCCC1 L481130 [1,0,0,1,0,0|1,0,1]=4 70 B10R1.78 O=C1C=CC=CCCCC1 T211648 [1,0,0,1,0,0|0,0,2]=4 71 B10R1.78 O=C1C=CCCCCCC1 L169854 [1,0,0,1,0,0|0,0,0]=2 72 B10R1.348 OB(O)C1=CCCCCC1 CDS010279 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.185 C1=CCCCCCCCC1 S462977 [1,0,0,1,0,0|1,0,1]=4 74 B10R1.15 CNC(=O)N1CCCCC1 S379557 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.15 COC(=O)N1CCNCC1 CDS013607 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.15 COC(=O)[C@@H]1CCCNC1 CDS019515 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N BBO000403 [1,0,0,1,0,0|1,0,1]=4 79 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [0,1,0,1,0,0|2,0,0]=4 80 B12R1.32 CCOC(=O)C=C1CCOCC1 PHB00281 [0,1,0,1,0,0|1,0,0]=3 81 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [0,1,0,1,0,0|0,0,2]=4 82 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [0,1,0,1,0,0|1,0,1]=4 83 B12R1.456 CCCCCC1=CC(=O)CC1C T202762 [0,1,0,1,0,0|1,0,0]=3 84 B12R1.1564 CCOC(=O)N1CCCCCC1 T168556 [0,1,0,1,0,0|1,0,1]=4 85 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [0,1,0,1,0,0|0,0,2]=4 86 B12R1.27 COC(=O)CNC1CCOCC1 CDS023751 [0,1,0,1,0,0|1,0,1]=4 87 B12R1.150 O=C1CCCCCCCCC1=O T209074 [0,1,0,1,0,0|1,0,1]=4 88 B12R1.365 COC(=O)C1CCCCOC1=O T260223 [0,1,0,1,0,0|1,0,1]=4 89 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,1,0,1,0,0|0,0,2]=4 90 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [0,1,0,1,0,0|0,0,2]=4 91 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [0,1,0,1,0,0|0,0,2]=4 92 B12R1.15 COC(=O)/C=C(\C)/N1CCCC1 PH009495 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.658 CCC1=C(C(=O)OC1)C(=O)OC T242942 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.1596 COC(=O)C1CC2CCC1C2 S409324 [0,0,0,2,0,0|0,0,2]=4 95 B12R2.1585 COC(=O)C1=CCC2OC2C1 T175218 [0,0,0,2,0,0|1,0,0]=3