0 B8R0.7 CCCCCCC(C)=O TN6693 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 CCCCCCCO TN6893 [1,0,0,0,0,0|0,0,2]=3 2 B9R0.2 CCCCCCCC(C)O TN6692 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.55 CC(=O)NCCCC(O)=O T4728 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.55 CC(=O)OCCCC(O)=O T23605 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.55 CN(C)CCCSC(N)=N T22724 [0,1,0,0,0,0|3,0,0]=4 6 B9R0.55 OC(=O)CCCCC(O)=O T2228 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.55 OC(=O)CCCCC(O)=O T7146 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.50 OC1CCC/C=C/CC1 T18751 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.50 O[C@@H]1CCC/C=C/CC1 T18648 [0,0,0,1,0,0|2,0,1]=4 10 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|0,0,2]=4 11 B6R0.6 CCCCCCO TN6891 [2,0,0,0,0,0|0,0,1]=3 12 B6R0.6 NCCCCCN T4895 [2,0,0,0,0,0|2,0,0]=4 13 B6R0.4 CC(C)CCC=O T20931 [2,0,0,0,0,0|0,0,0]=2 14 B8R0.4 NCCCCCCCN T7998 [1,1,0,0,0,0|1,0,1]=4 15 B8R0.6 CCCCCC(O)CC TN1267 [1,1,0,0,0,0|1,0,1]=4 16 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,1,0,0,0,0|0,0,2]=4 17 B8R0.28 CC(C)CCCC(C)N T22389 [1,1,0,0,0,0|0,0,1]=3 18 B10R0.3 CC(CCC=C(C)C)CC=O T8061 [0,2,0,0,0,0|0,0,1]=3 19 B10R0.3 C[C@@H](CCC=C(C)C)CC=O T8013 [0,2,0,0,0,0|0,0,1]=3 20 B10R0.3 C[C@H](CCC=C(C)C)CC=O T13449 [0,2,0,0,0,0|0,0,1]=3 21 B10R0.4 C(CCCCC)CCC(C)C T29356 [0,2,0,0,0,0|1,0,1]=4 22 B10R0.4 CCCCCCCCC(C)C T31326 [0,2,0,0,0,0|1,0,1]=4 23 B10R0.6 CC(C)CC(=O)NCCC=O T29416 [0,2,0,0,0,0|0,0,1]=3 24 B10R0.55 COC(=O)CCCCC(O)=O T33475 [0,2,0,0,0,0|1,0,1]=4 25 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,2,0,0,0,0|1,0,1]=4 26 B10R0.97 CC(C)CCNCCC(C)C T20517 [0,2,0,0,0,0|1,0,1]=4 27 B10R0.97 CN(C)CCCCSC(N)=N T23367 [0,2,0,0,0,0|2,0,0]=4 28 B10R0.96 CC(C)CC(=O)NCC(O)=O T5245 [0,2,0,0,0,0|1,0,1]=4 29 B10R0.15 C[N+](C)(C)CCCCC([O-])=O T19274 [0,2,0,0,0,0|1,0,0]=3 30 B10R0.1 CCCCCC[C@H](C)CCC T31329 [0,2,0,0,0,0|1,0,1]=4 31 B8R1.5 CC1CCCCC1=O T36789 [1,0,0,1,0,0|0,0,0]=2 32 B8R1.5 NC1CCCNC1=O T13495 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.22 O=C1CCCCCN1 T20386 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.22 O=C1NCCCCC1 T20195 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.22 O=C1NCCCCC1 T32363 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.1 OC[C@H]1CC[C@H](O)C1 TN2950 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.4 CC1CCCC(C)N1 T1007 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.13 CC(C)C1CCC(=C)C=C1 T5621 [0,1,0,1,0,0|1,0,1]=4 40 B10R1.149 CCC(C)N1CCCC1=O T3114 [0,1,0,1,0,0|1,0,0]=3 41 B10R1.128 C[N+]1(C)CCC[C@H]1C([O-])=O T23398 [0,1,0,1,0,0|1,0,0]=3 42 B10R1.128 C[N+]1(C)CCC[C@H]1C([O-])=O T5769 [0,1,0,1,0,0|1,0,0]=3 43 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C T3251 [0,1,0,1,0,0|1,0,0]=3 44 B10R2.71 O=C1CC2CCC(C1)N2 T1702 [0,0,0,2,0,0|1,0,0]=3 45 B10R2.18 C1C2CCCCC#CC12 T30307 [0,0,0,2,0,0|1,0,1]=4