data/database/mixture_training_dataset.csv

,fuel1 inchi,fuel2 inchi,fuel3 inchi,fuel4 inchi,molar fraction fuel 1,molar fraction fuel 2,molar fraction fuel 3,Experimental value (from literature),Synthetic value
0,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.13,,,19.53,16.3
1,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.25,,,19.7,17.5
2,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.36,,,21.7,18.6
3,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.47,,,23,19.8
4,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.57,,,23.6,20.8
5,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.67,,,24.6,21.8
6,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.76,,,25.9,22.7
7,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.84,,,26.8,23.5
8,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.92,,,27.9,24.3
9,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.15,,,16.2,15.5
10,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.28,,,16.3,16.0
11,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.4,,,16.4,16.4
12,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.51,,,16.5,16.8
13,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.61,,,16.6,17.2
14,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.7,,,16.9,17.5
15,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.78,,,17.3,17.8
16,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.86,,,17.7,18.1
17,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.93,,,18,18.3
18,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.52,,,37.7,30.0
19,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.47,,,34.7,27.6
20,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.42,,,31.2,25.3
21,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.37,,,28,22.9
22,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.33,,,25.1,21.0
23,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.28,,,21.7,18.6
24,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.24,,,18.1,16.7
25,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.88,,,13.4,14.1
26,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.77,,,11,13.2
27,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.66,,,9.7,12.4
28,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.55,,,8.7,11.5
29,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.45,,,7.8,10.7
30,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.35,,,7.5,9.9
31,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.26,,,7.5,9.2
32,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.17,,,7.3,8.5
33,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.08,,,7.25,7.8
34,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.37,0.49,,32.6,27.6
35,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.31,0.42,,29,24.1
36,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.26,0.35,,25.6,21.0
37,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.22,0.29,,21.5,18.6
38,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.28,0.58,,28.7,24.2
39,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.24,0.49,,25.7,21.5
40,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.2,0.41,,22.6,18.8
41,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.16,0.34,,18.3,16.2
42,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.19,0.67,,24.6,20.8
43,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.16,0.57,,21.6,18.5
44,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.13,0.47,,18.1,16.0
45,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.11,0.39,,14.5,14.3
46,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.1,0.76,,19.6,17.4
47,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.08,0.64,,16.4,15.3
48,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.07,0.54,,13.5,13.9
49,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.87,,,51.3,47.9
50,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.67,,,45.7,40.3
51,"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,,0.91,,,84.8,83.6
52,"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,,0.83,,,76.8,77.1
53,"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,,0.45,,,46.5,46.3
54,"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,,0.27,,,28.9,31.8
55,"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,,0.12,,,16.1,19.6
56,"InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3","InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",,,0.38,,,68,60.9
57,"InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3","InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",,,0.48,,,61,53.0
58,"InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3","InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",,,0.71,,,41.5,34.9
59,"InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",,,0.12,,,33.1,32.8
60,"InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",,,0.28,,,47,46.7
61,"InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",,,0.48,,,64.3,64.1
62,"InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",,,0.67,,,82.9,80.6
63,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.68,,,70.1,58.3
64,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.44,,,53.2,39.6
65,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.35,,,43.4,32.6
66,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.26,,,32.9,25.6
67,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.19,,,22,20.1
68,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/CH4O/c1-2/h2H,1H3",,,0.65,,,69,57.0
69,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/CH4O/c1-2/h2H,1H3",,,0.45,,,53.5,42.1
70,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/CH4O/c1-2/h2H,1H3",,,0.32,,,39.1,32.3
71,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/CH4O/c1-2/h2H,1H3",,,0.23,,,27.3,25.6
72,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3","InChI=1S/CH4O/c1-2/h2H,1H3",,,0.17,,,17.1,21.1
73,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.59,,,69.7,51.9
74,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.35,,,61.2,32.9
75,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.19,,,46.7,20.3
76,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.08,,,25.7,11.6
77,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.46,,,74.9,41.6
78,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.4,,,67.8,36.9
79,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.35,,,59.1,32.9
80,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.3,,,52.2,29.0
81,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.27,,,45.6,26.6
82,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.23,,,38.9,23.4
83,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",,,0.1002,,,23.2,18.8
84,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.128,0.659,,21.8,17.8
85,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.1655,0.4409,,21.6,17.4
86,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,0.053,0.8152,,21.3,18.3
87,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,0.0316,0.7212,,21.1,18.7
88,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.0998,0.5758,0.1169,21.6,17.9
89,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.0681,0.5013,0.228,21.1,17.9
90,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.1278,0.3809,0.0828,20.9,16.7
91,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.094,0.3129,0.2117,21.1,17.0
92,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,0.0932,0.7445,,19.45,17.1
93,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,0.087,0.6097,,17,15.6
94,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",,,0.3255,,,31.6,27.3
95,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.3301,0.4618,,33.24,25.5
96,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.3695,0.2416,,32.47,25.2
97,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,0.2648,0.6112,,30.97,26.3
98,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,0.237,0.5216,,29.14,26.4
99,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.3022,0.3808,0.1142,30.92,25.6
100,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.2757,0.3038,0.2227,29.98,25.8
101,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.3341,0.1844,0.1058,31.05,25.1
102,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.3087,0.1175,0.2067,30.57,25.2
103,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2�,,0.2934,0.548,,28.48,24.7
104,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2�,,0.2928,0.411,,25.34,23.4
105,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2�,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.3271,0.3319,0.1465,28.99,24.2
106,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2�,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.356,0.1465,0.1361,29.02,23.7
107,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2�,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.3245,0.218,0.275,26.42,23.1
108,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2�,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.3519,0.0509,0.2566,26.19,22.7
109,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.095,,,101.5,95.5
110,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.1814,,,100.1,91.4
111,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.2603,,,98.2,87.7
112,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.3326,,,95.4,84.3
113,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,,0.7422,,,87.9,75.8
114,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,,0.5613,,,77.5,58.8
115,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,,0.4274,,,68.3,46.2
116,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.794,,,92.7,84.6
117,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.6314,,,86.9,72.4
118,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.4998,,,80.3,62.5
119,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.8729,,,98.7,88.0
120,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.7649,,,92.7,77.7
121,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.5912,,,83.6,61.3
122,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.4576,,,74.9,48.6
123,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.4017,,,67.8,43.3
124,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.3516,,,59.1,38.6
125,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.3065,,,52.2,34.3
126,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.2655,,,45.6,30.4
127,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.2283,,,38.9,26.9
128,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",,,0.5297,,,40.1,35.0
129,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",,,0.4288,,,36.1,31.2
130,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",,,0.3255,,,31.5,27.3
131,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",,,0.2197,,,27.7,23.3
132,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",,,0.1112,,,23.3,19.2
133,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.8722,,,21.02,16.3
134,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.752,,,21.17,17.5
135,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.6388,,,22.9,18.7
136,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.5312,,,24.02,19.7
137,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.4312,,,24.51,20.7
138,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.3357,,,25.34,21.7
139,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.2452,,,26.5,22.6
140,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.1593,,,21.2,23.5
141,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.0777,,,28.2,24.3
142,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.8549,,,18.12,15.5
143,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.7237,,,18.2,16.0
144,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.6044,,,18.28,16.4
145,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.4955,,,18.34,16.8
146,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.3957,,,18.43,17.2
147,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.3039,,,18.69,17.5
148,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.2191,,,19.04,17.8
149,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.1407,,,19.45,18.1
150,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�",InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,,,0.0678,,,19.68,18.4
151,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.5195,,,36.7,30.0
152,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.4684,,,34.1,27.5
153,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.4189,,,31,25.2
154,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.371,,,28.3,22.9
155,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.3246,,,25.8,20.7
156,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.2796,,,22.9,18.6
157,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.236,,,19.8,16.5
158,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.8813,,,15.51,13.9
159,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.7675,,,13.17,12.8
160,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.6582,,,11.74,11.7
161,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.5532,,,10.63,10.7
162,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.4521,,,9.66,9.7
163,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.3549,,,9.22,8.7
164,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.2613,,,9.2,7.8
165,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.171,,,9,7.0
166,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.084,,,8.92,6.1
167,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.368,0.4902,,32.2,32.2
168,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.3126,0.4163,,29.1,28.1
169,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.2619,0.3488,,26.2,24.4
170,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.2153,0.2868,,22.7,21.0
171,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.2789,0.5778,,28.9,35.5
172,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.2365,0.49,,26.3,30.9
173,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.1979,0.41,,23.7,26.7
174,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.1625,0.3366,,19.9,22.9
175,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.1879,0.6673,,25.4,38.8
176,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.1591,0.565,,22.8,33.7
177,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.1329,0.472,,19.8,29.0
178,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.109,0.3871,,16.5,24.7
179,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.0949,0.7587,,21.1,42.3
180,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.0803,0.6414,,18.3,36.5
181,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.067,0.535,,15.6,31.4
182,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.204,,,62.14,53.2
183,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.408,,,54.14,40.9
184,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.804,,,28.58,17.1
185,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.602,,,44.18,29.3
186,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.193,,,61.21,55.8
187,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.397,,,55.08,45.5
188,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.6,,,46.93,35.2
189,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.799,,,36.59,25.2
190,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.714,,,45,39.3
191,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.651,,,50,44.7
192,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.59,,,55,49.9
193,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.541,,,59.1,54.0
194,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.473,,,65,59.8
195,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.646,,,45,32.9
196,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.533,,,50,38.6
197,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.39,,,55,45.8
198,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.256,,,59.1,52.6
199,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3�","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",,,0.066,,,65,62.2
200,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",,,0.286,,,45,37.2
201,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",,,0.349,,,50,42.7
202,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",,,0.41,,,55,48.1
203,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",,,0.459,,,59.1,52.4
204,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",,,0.527,,,65,58.4
205,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.261,,,45,30.1
206,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.347,,,50,35.1
207,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.442,,,55,40.6
208,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.519,,,59.1,45.1
209,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.662,,,65,53.3
210,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.354,,,45,32.9
211,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.467,,,50,38.6
212,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.61,,,55,45.8
213,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.744,,,59.1,52.6
214,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.934,,,65,62.2
215,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.25,0.25,33.8,27.0
216,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.3,0.2,34.8,28.8
217,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.35,0.15,35.8,30.6
218,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.4,0.1,37,32.3
219,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.45,0.05,38.7,34.1
220,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.45,0.1,39.3,34.1
221,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.45,0.15,39.8,34.1
222,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.1,0.45,0.2,39.8,34.1
223,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.15,0.45,0.1,42.1,37.2
224,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.13,0.39,0.16,42.5,33.8
225,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.15,0.45,0.25,43,37.2
226,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.2,0.4,0.2,44.2,38.4
227,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.2,0.45,0.15,45.5,40.2
228,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.2,0.45,0.2,45.7,40.2
229,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.25,0.4,0.15,46.8,41.5
230,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.3,0.4,0.15,52.2,44.5
231,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.3,0.45,0.15,53.6,46.3
232,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.35,0.4,0.15,53.7,47.6
233,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.35,0.45,0.1,55.7,49.3
234,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.4,0.4,0.1,56.7,50.6
235,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",,0.15,0.45,,49.4,37.2
236,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",,0.25,0.25,,49.2,36.1
237,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",,0.31,0.11,,49.1,34.8
238,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3�","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3�",,0.23,0.5,,59.1,62.9
239,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3�","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3�",,0.19,0.25,,59.5,38.2
240,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3�","InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3","InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3�",,0.58,0.25,,60.6,70.2
241,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.532714639,,,40.1,36.8
242,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.431822478,,,36.1,33.1
243,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.328218832,,,31.6,29.3
244,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.221792905,,,27.7,25.5
245,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.112427783,,,23.3,21.5
246,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.8689527,,,21.02,18.9
247,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.746645374,,,21.17,20.3
248,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.632231893,,,22.9,21.6
249,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.52497193,,,24.02,22.9
250,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.42421493,,,24.51,24.0
251,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.3293869,,,25.34,25.1
252,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.239979469,,,26.5,26.1
253,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.15554077,,,27.2,27.1
254,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.075667803,,,28.2,28.0
255,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.579715616,,,36.7,33.7
256,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.529169756,,,34.1,31.3
257,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.47904752,,,31,28.9
258,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.429343605,,,28.3,26.5
259,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.380052797,,,25.8,24.2
260,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.331169965,,,22.9,21.8
261,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.282690066,,,19.8,19.5
262,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.912479293,,,15.51,16.7
263,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.822497356,,,13.17,16.0
264,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.729948886,,,11.74,15.2
265,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.634722489,,,10.63,14.5
266,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.536700227,,,9.66,13.7
267,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.435757136,,,9.22,12.9
268,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.331760691,,,9.2,12.1
269,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.224570225,,,9,11.2
270,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.114036298,,,8.92,10.3
271,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.381808906,0.502855577,,32.2,30.0
272,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.333699631,0.439493994,,29.1,27.0
273,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.287175838,0.378220543,,26.2,24.0
274,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.24216042,0.318933676,,22.7,21.2
275,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.289729995,0.593575822,,28.9,26.6
276,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.252847678,0.518014259,,26.3,24.0
277,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.217284684,0.445155618,,23.7,21.5
278,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.182971466,0.37485742,,19.9,19.0
279,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.195455823,0.686458936,,25.4,23.2
280,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.170316057,0.598165752,,22.8,21.0
281,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.146147607,0.51328392,,19.8,18.8
282,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.122895248,0.431619482,,16.5,16.8
283,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.098906936,0.7815832,,21.1,19.6
284,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.086051876,0.67999984,,18.3,17.9
285,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.073730991,0.582637642,,15.6,16.2
286,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.101237226,,,23.23,21.1
287,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",,0.102000388,,,21.96,19.9
288,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",,0.102775144,,,19.2,18.7
289,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",0.110635012,0.72855075,,21.36,19.8
290,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",0.136160143,0.549938074,,20.34,19.2
291,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,0.095331283,,,19.45,19.2
292,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,0.090076434,,,17,17.4
293,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.132602565,0.55527257,,19.51,18.7
294,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.167212544,0.371359337,,20.12,18.2
295,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.135048037,0.43195288,,17.83,17.4
296,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.167759417,0.261860709,,18.05,17.0
297,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",,,0.328006438,,,31.6,29.3
298,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.347480578,,,33.24,28.1
299,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,0.404183455,,,32.47,28.4
300,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,0.266021413,,,30.97,28.5
301,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,0.237458315,,,29.14,28.9
302,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.316808062,0.394814566,,30.92,28.4
303,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.287890472,0.313789028,,29.98,28.8
304,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.355405109,0.193979456,,31.05,28.3
305,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.320014287,0.120419977,,30.57,28.7
306,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",,0.309212824,,,30.67,27.5
307,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",,0.322188755,,,29.96,26.8
308,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",0.333516897,0.510100637,,31.87,27.9
309,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",0.357523195,0.332379144,,29.84,27.2
310,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,0.299440885,,,28.48,26.6
311,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,0.302148266,,,25.34,25.3
312,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.347495218,0.348695818,,28.99,26.6
313,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.391990175,0.1594964,,29.02,26.6
314,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.347508277,0.230901853,,26.42,25.3
315,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",0.3896836,0.055699035,,26.19,25.3
316,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",0.360069684,0.334746543,,30.02,27.4
317,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.106297882,,,101.5,95.1
318,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.200701978,,,100.1,90.7
319,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.28510274,,,98.2,86.8
320,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,,0.36101014,,,95.4,83.3
321,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,,0.7359639,,,87.9,75.2
322,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,,0.553337541,,,77.5,58.1
323,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,,,0.419498731,,,68.3,45.5
324,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.769849982,,,92.7,83.6
325,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.597854657,,,86.9,71.4
326,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",,,0.464444515,,,80.3,61.9
327,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.885468616,,,98.7,89.2
328,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.785507246,,,92.7,79.8
329,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.619428571,,,83.6,64.2
330,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.48703466,,,74.9,51.8
331,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.430421503,,,67.8,46.5
332,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.379020979,,,59.1,41.6
333,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.332144847,,,52.2,37.2
334,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.289220918,,,45.6,33.2
335,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.249769585,,,38.9,29.5
336,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3",,0.169692878,0.779862424,,25,23.0
337,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3",,0.157840171,0.729833231,,23,21.9
338,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3",,0.141376476,0.650650663,,19,20.2
339,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.312824897,0.640890825,,31.62,28.4
340,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.291520455,0.597243975,,29.14,27.0
341,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.259453304,0.531547339,,25.4,24.9
342,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.231048069,0.47335295,,22.76,23.0
343,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.205711373,0.421445136,,19.82,21.4
344,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.16986469,0.783011917,,25.42,23.1
345,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.158101119,0.728786311,,23.36,22.1
346,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.140449355,0.647418361,,20.55,20.5
347,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.12486788,0.575593657,,17.98,19.1
348,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",,0.111012647,0.51172628,,15.4,17.9
349,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.311669326,0.639454175,0.016597187,32.65,28.3
350,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.292718467,0.59791355,0.054103368,30.14,26.9
351,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.260595304,0.532500261,0.103853151,26.55,24.7
352,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.232909238,0.47821468,0.10378458,23.61,23.0
353,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.208783692,0.426507492,0.144985752,20.93,21.3
354,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.312823687,0.642440134,0.033204379,31.86,28.3
355,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.287020264,0.601288048,0.078836158,30.35,26.6
356,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.252028761,0.540923979,0.146141677,26.39,24.3
357,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.223924517,0.493454822,0.206224601,24.48,22.5
358,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.19544031,0.443302877,0.25498853,21.75,20.6
359,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.169437267,0.780804764,0.016896511,25.51,23.1
360,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.15815365,0.730616755,0.055024291,23.48,22.0
361,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.140446588,0.649517168,0.105425125,20.44,20.3
362,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.126185202,0.581068207,0.105175139,18.43,19.0
363,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.112466491,0.518427951,0.146733625,16.42,17.7
364,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.169300101,0.785149474,0.033808734,26.34,23.1
365,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.155619981,0.730833212,0.08014557,23.76,21.8
366,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.136371744,0.653567439,0.148268758,20.24,20.1
367,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.120968313,0.592762133,0.20888715,18.47,18.7
368,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",0.105407486,0.529271521,0.25785718,15.86,17.3
369,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.39425866,0.519252336,,33.5,31.0
370,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.359692599,0.473727634,,30.1,29.0
371,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.327592439,0.431450609,,25,27.1
372,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.297703396,0.392085703,,20.4,25.4
373,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.243703717,0.320966252,,16.2,22.3
374,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.154199913,0.203086637,,13.7,17.1
375,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.083039289,0.109365626,,9.2,13.0
376,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.299292269,0.61316625,,28.8,27.5
377,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.272761243,0.558811589,,26.1,25.8
378,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.248173502,0.508438176,,24.34,24.2
379,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.225323082,0.46162405,,21.7,22.7
380,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.184146281,0.377264288,,17.8,20.1
381,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.116196314,0.238053787,,11.85,15.7
382,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.062437573,0.127917144,,8.49,12.2
383,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.162389081,0.748552191,,23.5,22.5
384,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.147766931,0.681149615,,21.4,21.2
385,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.134255787,0.618868358,,18.91,20.0
386,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.121733662,0.561146098,,17.3,18.9
387,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.099251714,0.457512828,,13.7,16.9
388,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.062383987,0.287566565,,9.27,13.7
389,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",,0.033418813,0.154048076,,8.4,11.1
390,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.400815859,0.527888395,,33.8,31.6
391,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.371394887,0.489139953,,32,30.1
392,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.3162607,0.416526316,,28.4,27.4
393,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.265571936,0.349767455,,24.9,24.9
394,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.175540554,0.231193001,,19.4,20.4
395,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.098011393,0.129084406,,15.1,16.6
396,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.304331607,0.623490447,,29.5,28.1
397,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.281736947,0.577200301,,27.21,26.9
398,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.260150182,0.532975049,,26.55,25.7
399,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.239505344,0.490679543,,24.5,24.6
400,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.200805154,0.411393665,,21.3,22.5
401,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.132363956,0.27117677,,17.1,18.8
402,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.073728904,0.151049929,,14,15.7
403,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.165171511,0.761378139,,23.9,23.0
404,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.152708723,0.703929405,,22.81,22.1
405,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.140832266,0.649183433,,21.25,21.3
406,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.129501713,0.596953874,,20.21,20.6
407,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.108334381,0.499380486,,17.96,19.1
408,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.071130039,0.327882552,,15.17,16.6
409,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",,0.039487806,0.182023839,,13.09,14.4
410,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",,0.307868362,0.630736269,,29.2,28.2
411,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",,0.288207677,0.590457018,,28.1,27.2
412,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",,0.250252151,0.512696748,,24.9,25.1
413,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",,0.167125271,0.770384236,,23.6,23.1
414,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",,0.156274525,0.720366402,,21.9,22.3
415,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",,0.135396536,0.624126775,,18.9,20.9
416,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",0.35350263,0.31877223,0.259746944,30.4,26.9
417,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",0.328677204,0.296385815,0.241505698,28.8,25.9
418,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",0.281693755,0.254018326,0.206983162,25.7,23.8
419,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",0.357369166,0.322258892,0.262588001,29.5,27.1
420,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",0.335808772,0.302816732,0.246745838,27.7,26.1
421,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",0.293722502,0.264865291,0.215821654,25.4,24.3
422,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.689360119,,,62.2,80.3
423,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.425195044,,,79.4,102.8
424,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.197801025,,,106.2,122.1
425,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.660841655,,,66.6,58.6
426,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.393752656,,,93.4,91.1
427,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.17796773,,,44.3,117.4
428,"InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.776505098,,,11.1,35.8
429,"InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.69845458,,,20.2,46.2
430,"InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.366712844,,,66.1,90.3
431,"InChI=1S/CH4O/c1-2/h2H,1H3","InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",,,0.20468353,,,97.2,111.8
432,"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",0.563,0.1415,0.23988,34.5,28.1
433,"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",0.24,0.3,0.34,40.87,30.1
434,"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2","InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",0.15,0.19,0.21,56,41.4
435,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",0.48,0.25,0.07,19.8,18.0
436,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",0.095,0.3715,0.134,37.3,20.9
437,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",0.116,0.151,0.49,60.5,45.6
438,"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2","InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",0.3,0.1,0.1,70,70.1
439,"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2","InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",0.1,0.1,0.2,61.43,60.1
440,"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2","InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",0.2,0.3,0.4,47.2,44.6
441,"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2","InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",0.1,0.6,0.2,51.3,50.0
442,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.11,0.06,0.19,43.8,34.0
443,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.15,0.17,0.51,69.3,65.5
444,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.12,0.2,0.14,50.6,32.8
445,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.07,0.07,0.2,78.5,35.1
446,InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3","InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",0.07,0.21,0.14,70.2,33.0
447,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",0.33,0.09,0.45,23.9,21.0
448,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",0.35,0.2,0.1,36.15,30.6
449,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",0.33,0.09,0.37,30,24.7
450,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",0.4,0.2,0.3,46,36.7
451,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",0.7,0.1,0.1,63.2,58.5
452,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2","InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",0.03,0.28,0.14,33,26.1
453,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3","InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2","InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",0.52,0.12,0.24,53,38.9
454,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3","InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3","InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",0.23,0.07,0.4,48,40.8
455,"InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3","InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3","InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",,0.39,0.12,,55.8,58.8
456,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",,,0.53,,,37.3,31.1
457,"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3","InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",,,0.2,,,67.5,60.2
458,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",,,0.79,,,48.1,43.7
459,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",,,0.58,,,39.2,33.9
460,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",,,0.49,,,34.9,29.7
461,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",,,0.38,,,27.9,24.6
462,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",,,0.19,,,15,15.8
463,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.2,,,44.2,46.4
464,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.41,,,33.6,39.0
465,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.51,,,29,35.5
466,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.6,,,28,32.3
467,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.81,,,21.2,25.0
468,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.79,,,43.5,43.8
469,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.58,,,32.6,34.2
470,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.48,,,28.4,29.7
471,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.38,,,24.6,25.1
472,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3","InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",,,0.19,,,20.2,16.5
473,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.21,,,44.2,45.5
474,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.41,,,35.4,38.1
475,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.51,,,30,34.3
476,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.62,,,25.4,30.2
477,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3","InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",,,0.81,,,15.3,23.1
,,,,,,,,,
,,,,,,,,,
,,,,,,,,,