0 B10R0.71 BrCCCCCCCCCBr 1100-9-X4 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 CCCCCCCCCCF 1100-3-63 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.71 CCCCCCCCCCI 1100-H-X5 [0,0,0,0,0,0|1,0,1]=2 3 B10R0.71 CCCCCCCCCCO 2101-1-10 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.71 CCCCCCCCCCS 5161-1-X2 [0,0,0,0,0,0|0,1,1]=2 5 B10R0.71 CCCCCCCCN=C=S 7168-1-19 [0,0,0,0,0,0|1,1,1]=3 6 B10R0.71 CCCCCCNCCC#N 3137-1-06 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.71 CCCCC\C=C\CCC=O 2315-1-X1 [0,0,0,0,0,0|0,0,2]=2 8 B10R0.71 OCCCCCCCCCBr 2101-9-00 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.71 SCCCCCCCCCS 5161-1-07 [0,0,0,0,0,0|1,1,1]=3 10 B9R0.45 BrCCCCCCCCBr 1100-9-28 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.45 C=CCCCCCCCBr 1300-9-X3 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.45 C=CCCCCCCCC 1300-1-10 [1,0,0,0,0,0|0,0,1]=2 13 B9R0.45 CCCCCCCCC=O 2115-1-06 [1,0,0,0,0,0|0,0,0]=1 14 B9R0.45 CCCCCCCCCBr 1100-9-X0 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.45 CCCCCCCCCF 1100-3-91 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.45 CCCCCCCCCI 1100-H-X8 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.45 CCCCCCCCCO 2101-1-13 [1,0,0,0,0,0|0,0,1]=2 18 B9R0.45 CCCCCCCN=C=S 7168-1-07 [1,0,0,0,0,0|1,1,1]=4 19 B9R0.45 CCCCCNCCC#N 3137-1-10 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.45 NCCCCCCCCN 3130-1-15 [1,0,0,0,0,0|2,0,0]=3 21 B11R0.3 C#CCCCCCCCCCC 1500-1-14 [0,1,0,0,0,0|1,0,1]=3 22 B11R0.3 C=CCCCCCCCCC=C 1300-1-45 [0,1,0,0,0,0|1,0,1]=3 23 B11R0.3 C=CCCCCCCCCCBr 1300-9-20 [0,1,0,0,0,0|1,0,0]=2 24 B11R0.3 C=CCCCCCCCCCC 1300-1-12 [0,1,0,0,0,0|1,0,0]=2 25 B11R0.3 C=CCCCCCCCCCO 2301-1-11 [0,1,0,0,0,0|1,0,0]=2 26 B11R0.3 CCCCCCCCCCCI 1100-H-X7 [0,1,0,0,0,0|1,0,1]=3 27 B11R0.3 CCCCCCCCCN=C=S 7168-1-16 [0,1,0,0,0,0|0,1,1]=3 28 B11R0.3 FCCCCCCCCCCF 1100-3-A0 [0,1,0,0,0,0|1,0,1]=3 29 B11R0.3 ICCCCCCCCCCI 1100-H-X1 [0,1,0,0,0,0|1,0,1]=3 30 B11R0.3 OCCCCCCCCCCO 2101-1-09 [0,1,0,0,0,0|0,0,2]=3 31 B11R0.40 CCCCCCOCC(O)CO 2104-1-30 [0,1,0,0,0,0|1,0,2]=4 32 B11R0.148 CCCCCCCCCC(=O)Cl 2116-5-16 [0,1,0,0,0,0|0,0,0]=1 33 B11R0.148 CCCCCCCCCC(=O)O 2121-1-19 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.148 CCCCCCCCNC(N)=S 7167-1-22 [0,1,0,0,0,0|1,1,0]=3 35 B11R0.148 O=C(O)CCCCCCCCBr 2121-9-04 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.28 N#CCCNC1CCCCC1 3237-1-Y7 [0,0,0,1,0,0|2,0,1]=4 37 B11R1.28 NCCCCN1CCCCC1 3H30-1-58 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.117 S=C=NC1CCCCCCC1 7268-1-06 [0,0,0,1,0,0|1,1,1]=4 39 B8R0.4 BrCCCCCCCBr 1100-9-11 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.4 C=CCCCCCCBr 1300-9-X2 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.4 C=CCCCCCCO 2301-1-13 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 CCCCCCCCBr 1100-9-08 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.4 CCCCCCCCF 1100-3-81 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.4 CCCCCCCCN 3130-1-08 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.4 CCCC[NH2+]CCCC 7160-3-X0 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.4 NCCCCCCCN 3130-1-03 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.4 OCCCCCCCO 2104-1-36 [2,0,0,0,0,0|1,0,1]=4 48 B10R0.4 CCCCCCCNC(N)=S 7167-1-13 [1,1,0,0,0,0|1,1,0]=4 49 B10R0.4 NCCCCCCCC(=O)O 4157-1-28 [1,1,0,0,0,0|1,0,0]=3 50 B10R0.4 O=C(O)CCCCCCCBr 2121-9-X4 [1,1,0,0,0,0|1,0,0]=3 51 B12R0.5 CCCCCCCCCCCCF 1100-3-59 [0,2,0,0,0,0|1,0,1]=4 52 B12R0.5 CCCCCCCCCCCCI 1100-H-04 [0,2,0,0,0,0|1,0,1]=4 53 B12R0.5 CCCCCCCCCCCCN 3130-1-X1 [0,2,0,0,0,0|1,0,1]=4 54 B12R0.5 CCCCCCCCCCCCO 2101-1-12 [0,2,0,0,0,0|0,0,2]=4 55 B12R0.5 CCCCCCCCCCN=C=S 7168-1-04 [0,2,0,0,0,0|0,1,1]=4 56 B12R0.5 CCCCCCCCNCCC#N 3137-1-08 [0,2,0,0,0,0|1,0,1]=4 57 B12R0.234 O=C(O)CCCCCCCCCBr 2121-9-X5 [0,2,0,0,0,0|0,0,0]=2 58 B12R0.234 O=C(O)CCCCCCCCCO 2129-1-04 [0,2,0,0,0,0|0,0,0]=2 59 B12R0.248 CCCCCCCCNC(=S)NN 7167-1-21 [0,2,0,0,0,0|1,1,0]=4 60 B10R1.17 NCCCN1CCCCC1 3H30-1-H4 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.17 OCCCN1CCCCC1 4H01-1-M6 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.20 OC[C@H]1CCCC[C@@H]1CO 2204-1-X1 [1,0,0,1,0,0|1,0,1]=4 63 B10R1.29 CCCCN1CCCC1=O 4H48-1-012 [1,0,0,1,0,0|1,0,0]=3 64 B10R1.29 NCCCN1CCCC1=O 4H48-1-H7 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.85 ClCCN1CCCCCC1 3H32-5-P6 [1,0,0,1,0,0|2,0,0]=4 66 B12R1.28 CCCCCC1CCCC(=O)O1 2H25-1-18 [0,1,0,1,0,0|0,0,0]=2 67 B12R1.28 CCCCOC1=CC(=O)CCC1 2H17-1-18 [0,1,0,1,0,0|1,0,1]=4 68 B12R1.308 CCOC(=O)C1CCCCC1=O 2229-1-1S [0,1,0,1,0,0|1,0,1]=4 69 B12R2.2 C1CCC(C2CCCN2)CC1 3H31-1-T5 [0,0,0,2,0,0|1,0,1]=4 70 B12R2.41 C1CCC2=NCCCN2CC1 3H32-1-18 [0,0,0,2,0,0|2,0,0]=4 71 B12R2.8 O=C1NCCC12CCNCC2 4H48-5-HU [0,0,0,2,0,0|2,0,0]=4