0 B8R0.7 C=C(C)COCCCC 102301 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.7 C=CCCCOC(C)=O 102329 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 CCCC\C=C\C(=O)O 16793 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.7 CCCC\C=C\C(=O)[O-] 12809 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 CCCCC\C=C\I 102635 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.1 C\C=C/CCCCC 102713 [1,0,0,0,0,0|0,0,1]=2 6 B7R0.1 C\C=C/CCCCO 102708 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.4 C=C(F)CCCCO 102348 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 C=CCCCC(=O)O 102353 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.2 CCC#CCCOC(C)=O 102447 [0,1,0,0,0,0|0,0,2]=3 10 B9R0.2 CCCCCC\C=C(\C)I 102863 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.2 CCCCC\C=C/C(C)C 100783 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.2 CCCCC\C=C\C(C)C 100780 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.2 O=C(O)CCCCCCBr 102846 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.46 CCCCCCC(=O)NN 841 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.47 CCCCCC(O)C(=O)O 12808 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.48 CCCC(O)CCC(=O)[O-] 12807 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.48 CCCC(O)CCC(=O)[O-] 12810 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.55 C=C(F)CCCOC(C)=O 102339 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.2 CNC1=CC(=O)CCC1 13308 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.7 [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.40 C[C@@]1(Cl)CCCC[C@@H]1O 19439 [0,0,0,1,0,0|2,0,1]=4 22 B6R0.6 CCC#CCCC 102645 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.6 C\C=C/CCCO 102707 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.4 C=C\C=C\CCCCC 102639 [1,1,0,0,0,0|0,0,2]=4 25 B8R0.4 CCCCCCCCF 102297 [1,1,0,0,0,0|0,0,1]=3 26 B8R0.4 CCC\C=C\CCCC 102651 [1,1,0,0,0,0|0,0,2]=4 27 B8R0.4 COCOCCCCCl 102435 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.6 CCCCCC(O)CF 100185 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.3 C=C(C)CCCC(C)CCBr 12189 [0,2,0,0,0,0|1,0,0]=3 30 B10R0.3 C=C(C)CCCC(C)CCO 12188 [0,2,0,0,0,0|1,0,0]=3 31 B10R0.3 CC(C)CCCC(C)CCO 12191 [0,2,0,0,0,0|1,0,1]=4 32 B10R0.4 C=C(C)\C=C\CCCCCC 100531 [0,2,0,0,0,0|1,0,0]=3 33 B10R0.4 CCCCCCCC[S@@+](C)[O-] 18403 [0,2,0,0,0,0|1,0,1]=4 34 B10R0.4 CCCCCC\C=C\C(C)O 102646 [0,2,0,0,0,0|0,0,2]=4 35 B10R0.4 CCCCC\C=C\C=C(C)C 100784 [0,2,0,0,0,0|1,0,1]=4 36 B10R0.55 CC(=O)OCCCC(F)CBr 102334 [0,2,0,0,0,0|1,0,0]=3 37 B10R0.55 O=C(O)CCCCC(F)CBr 102155 [0,2,0,0,0,0|1,0,0]=3 38 B10R0.74 CCCCCC\C=C(\I)CC 102638 [0,2,0,0,0,0|1,0,0]=3 39 B10R0.97 C=C(C)CCCCCC(=C)C 100368 [0,2,0,0,0,0|1,0,0]=3 40 B10R0.97 C=C(F)CCCCCC(=O)O 102314 [0,2,0,0,0,0|1,0,1]=4 41 B8R1.11 CCC1=CCCC1=O 16118 [1,0,0,1,0,0|0,0,2]=4 42 B8R1.11 CCC1CC=CC1=O 16117 [1,0,0,1,0,0|0,0,2]=4 43 B8R1.1 O=C1CC[C@H](CBr)N1 22002 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.1 O=C1CC[C@H](CBr)O1 21988 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 [NH3+]C[C@H]1CCC(=O)O1 21998 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.4 CC1=CC(=O)CCC1 19984 [1,0,0,1,0,0|0,0,2]=4 47 B10R1.13 CC(=O)C1CC=C(C)CC1 102606 [0,1,0,1,0,0|0,0,2]=4 48 B10R1.54 [NH+](C)(C)C[C@H]1CCC(=O)O1 21996 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.485 CCC1(O)CCCC(C)C1 12517 [0,1,0,1,0,0|1,0,1]=4 50 B10R1.10 CCNC1=CC(=O)CCC1 13498 [0,1,0,1,0,0|0,0,2]=4 51 B10R1.10 CCOC1=CC(=O)CCC1 19990 [0,1,0,1,0,0|0,0,2]=4 52 B10R1.10 CCOC1CSCC(=O)N1 13347 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.61 CC(C)C1CCCCC1O 777 [0,1,0,1,0,0|1,0,1]=4 54 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O 778 [0,1,0,1,0,0|1,0,1]=4 55 B10R1.363 C=C(C)C1(O)CCCCC1 102602 [0,1,0,1,0,0|1,0,0]=3 56 B10R1.363 CC1(C(=O)O)CCCCC1 18218 [0,1,0,1,0,0|1,0,0]=3 57 B10R2.71 O=C1CC2C=CC(C1)C2 19603 [0,0,0,2,0,0|0,0,2]=4