0 B9R0.2 C=CCCCCCC(O)=O M10156973P [0,0,0,0,0,0|1,0,0]=1 1 B9R0.2 CC(OCCOCCO)=O M10039891P [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 O=C(O)CCCCCCN M10378899P [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 O=C(O)CCCCCCO M10056977P [0,0,0,0,0,0|2,0,1]=3 4 B9R0.2 O=C(O)CCCCCOC M10246469P [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 C=CCCCCCCCl M10022226P [1,0,0,0,0,0|1,0,1]=3 6 B8R0.4 CCCCCCCCI M10017037P [1,0,0,0,0,0|1,0,2]=4 7 B8R0.7 BrCCCCOC(C)=O M10065998P [1,0,0,0,0,0|2,0,0]=3 8 B8R0.7 C#CCCCCC(O)=O M10212111P [1,0,0,0,0,0|1,0,2]=4 9 B8R0.7 C=CCCCCC(O)=O M10027121P [1,0,0,0,0,0|1,0,0]=2 10 B8R0.7 CC(C)CCCCCO M12278016P [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 CC(O)CCCCCC M10060290P [1,0,0,0,0,0|0,0,3]=4 12 B8R0.7 CSCCCOC(C)=O M10144018P [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 C[C@@H](O)CCCCCC M10082518P [1,0,0,0,0,0|0,0,3]=4 14 B8R0.7 C[C@H](O)CCCCCC M10084602P [1,0,0,0,0,0|0,0,3]=4 15 B8R0.7 O=C(Cl)CCCCCBr M10176911P [1,0,0,0,0,0|2,0,0]=3 16 B8R0.7 O=C(Cl)OCCCCC M10017366P [1,0,0,0,0,0|2,0,1]=4 17 B8R0.7 O=C(O)CCCCCN M10196151P [1,0,0,0,0,0|2,0,0]=3 18 B8R0.7 O=C(O)COCCCC M10044886P [1,0,0,0,0,0|2,0,1]=4 19 B10R0.3 CC(CCC=C(C)C)CC=O M10203794P [0,1,0,0,0,0|2,0,1]=4 20 B10R0.4 C=CCCCCCCC(O)=O M10214607P [0,1,0,0,0,0|1,0,0]=2 21 B10R0.4 O=C(Cl)OCCCCCCC M10221559P [0,1,0,0,0,0|1,0,2]=4 22 B10R0.4 O=C(O)COCCCCCC M12277225P [0,1,0,0,0,0|1,0,2]=4 23 B10R0.4 O=C(O)NCCCCCCN M10005461P [0,1,0,0,0,0|2,0,1]=4 24 B10R0.74 CCCCCCCC(NN)=O M10088132P [0,1,0,0,0,0|1,0,2]=4 25 B10R0.74 CCCCCCCC(NO)=O M10104471P [0,1,0,0,0,0|1,0,2]=4 26 B10R0.74 O=C(OC)CCCCCCN M10152761P [0,1,0,0,0,0|1,0,1]=3 27 B10R0.75 CCCCCCC(Br)C(O)=O M10186759P [0,1,0,0,0,0|1,0,2]=4 28 B10R0.97 CC(C)CCCCCC(O)=O M10195776P [0,1,0,0,0,0|1,0,2]=4 29 B10R1.18 CC(CC1CCCCC1)=O M10003101P [0,0,0,1,0,0|0,0,2]=3 30 B10R1.18 O=C(O)CC1CNCCC1 M10445395P [0,0,0,1,0,0|2,0,1]=4 31 B10R1.61 O=C(C1C(O)CCCC1)O M10015822P [0,0,0,1,0,0|2,0,1]=4 32 B10R1.61 O=C([C@@H]1N(C)CCCC1)O M10245935P [0,0,0,1,0,0|2,0,1]=4 33 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,0,0,1,0,0|1,0,0]=2 34 B10R1.64 O=C(O)CN1C(CCC1)=O M10273605P [0,0,0,1,0,0|3,0,0]=4 35 B10R1.348 O=C(C1CCCCCC1)O M10031109P [0,0,0,1,0,0|1,0,2]=4 36 B10R1.348 O=C(C1NCCCCC1)O M10069811P [0,0,0,1,0,0|2,0,1]=4 37 B7R0.1 C=CCCCCCCl M10023319P [2,0,0,0,0,0|1,0,0]=3 38 B7R0.1 CCCCCCCI M10061657P [2,0,0,0,0,0|1,0,1]=4 39 B7R0.1 OCCCCOC=C M10151868P [2,0,0,0,0,0|1,0,1]=4 40 B7R0.4 CC(CCCCBr)=O M10113189P [2,0,0,0,0,0|1,0,0]=3 41 B7R0.4 CC(N)CCCCC M10004600P [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 CC(OCCOC)=O M10003718P [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCCCC(Cl)=O M10005436P [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 O=C(N)NCCCC M10195780P [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 O=C(N)NCCCC M10200467P [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 O=C(O)CCCCO M10123275P [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 O=C(O)CCOCC M10062024P [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 O=C(O)COCCC M10276951P [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 O=C([O-])CCCCO M10233260P [2,0,0,0,0,0|2,0,0]=4 50 B9R0.45 C=CCCCCCCC=C M10034215P [1,1,0,0,0,0|0,0,1]=3 51 B9R0.45 C=CCCCCCCCBr M10567508P [1,1,0,0,0,0|0,0,1]=3 52 B9R0.45 C=CCCCCCCCCl M10022231P [1,1,0,0,0,0|0,0,1]=3 53 B9R0.45 CCCCCC\C=C\C=O M10157563P [1,1,0,0,0,0|0,0,2]=4 54 B9R0.4 CC(CC(OCC=C)=O)=O M10027087P [1,1,0,0,0,0|1,0,1]=4 55 B9R0.47 O=C(O)[C@@H](N)CCCCN M10073031P [1,1,0,0,0,0|2,0,0]=4 56 B9R0.47 O=C(O)[C@@H](N)CCCCN M10197723P [1,1,0,0,0,0|2,0,0]=4 57 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [1,1,0,0,0,0|1,0,0]=3 58 B9R0.55 O=C([O-])CCCCC([O-])=O M10158972P [1,1,0,0,0,0|2,0,0]=4 59 B11R0.30 O=C(O)CCCCCNC(N)=N M10095274P [0,2,0,0,0,0|2,0,0]=4 60 B11R0.42 CCCCCCCC(N(C)C)=O M10027091P [0,2,0,0,0,0|0,0,2]=4 61 B11R0.148 C=CCCCCCCCC(O)=O M10131075P [0,2,0,0,0,0|1,0,0]=3 62 B11R0.4 O=C(OCC)CCCCCCBr M10207592P [0,2,0,0,0,0|1,0,1]=4 63 B11R0.4 O=C(OCC)CCCCCCN M10207661P [0,2,0,0,0,0|1,0,1]=4 64 B11R0.142 CCCCCCC(Br)C(OC)=O M10075136P [0,2,0,0,0,0|0,0,2]=4 65 B9R1.8 C=COC1CCCCC1 M10040911P [1,0,0,1,0,0|1,0,1]=4 66 B9R1.50 O=C1NCCCCCC1 M10018116P [1,0,0,1,0,0|1,0,1]=4 67 B9R1.6 CC(C1CCCCC1)=O M10021388P [1,0,0,1,0,0|0,0,1]=3 68 B9R1.6 CC(C1CCOCC1)=O M10742643P [1,0,0,1,0,0|1,0,1]=4 69 B9R1.6 O=C(C1=CCCCC1)O M10017285P [1,0,0,1,0,0|1,0,1]=4 70 B9R1.6 O=C(C1CCCCC1)O M10002681P [1,0,0,1,0,0|1,0,1]=4 71 B9R1.6 O=C(C1CCCCC1)[O-] M10005124P [1,0,0,1,0,0|1,0,1]=4 72 B9R1.6 O=C(C1CCCCO1)O M10261099P [1,0,0,1,0,0|2,0,0]=4 73 B9R1.13 O=C(O)CC1OCCC1 M10043869P [1,0,0,1,0,0|2,0,0]=4 74 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10330790P [1,0,0,1,0,0|2,0,0]=4 75 B9R1.13 O=C(O)C[C@@H]1NCCC1 M10879019P [1,0,0,1,0,0|2,0,0]=4 76 B11R1.143 O=C1N(C(C)=O)CCCCC1 M10037588P [0,1,0,1,0,0|1,0,0]=3 77 B11R1.222 O=C(C1CNCCC1=O)OC M10443139P [0,1,0,1,0,0|2,0,0]=4 78 B11R1.222 O=C1C(C(OC)=O)CNCC1 M10286115P [0,1,0,1,0,0|2,0,0]=4 79 B11R1.852 O=C(C1CCCCCC1)OC M10314157P [0,1,0,1,0,0|0,0,2]=4 80 B11R1.178 O=C([C@H]1[C@H](C(O)=O)CCC1)O M10031137P [0,1,0,1,0,0|2,0,0]=4 81 B11R2.202 O=C1C2C(CCC2)C(O1)=O M10080140P [0,0,0,2,0,0|2,0,0]=4 82 B11R2.533 C=C1[C@@H]2C[C@@H](C2(C)C)CC1 M10153803P [0,0,0,2,0,0|1,0,1]=4