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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
157789 |
56437264 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-116.54 |
3.54 |
-8.83 |
-0.21 |
0 |
|
|
157790 |
56437265 |
1 |
FSO3N4C21H21 |
ABC3D4E21F21 |
-88.94 |
7.56 |
-8.63 |
-0.74 |
0 |
|
|
157791 |
56437266 |
1 |
N2F3O3C17H23 |
A2B3C3D17E23 |
-292.71 |
2.44 |
-9.62 |
-0.78 |
0 |
|
|
157792 |
56437267 |
2 |
NO2C10H14 |
AB2C10D14 |
-147.0 |
3.29 |
-8.89 |
-0.14 |
0 |
|
|
157793 |
56437274 |
1 |
BrN2O4C18H25 |
AB2C4D18E25 |
-181.52 |
2.56 |
-9.82 |
-0.62 |
0 |
|
|
157794 |
56437276 |
2 |
FNOC11H13 |
ABCD11E13 |
-169.49 |
1.12 |
-9.77 |
-0.38 |
0 |
|
|
157795 |
56437280 |
1 |
NSO2F3H12C18 |
ABC2D3E12F18 |
-155.33 |
2.12 |
-9.02 |
-1.3 |
0 |
|
|
157796 |
56437288 |
1 |
F3N3O3C21H26 |
A3B3C3D21E26 |
-226.22 |
9.11 |
-8.74 |
-0.37 |
0 |
|
|
157797 |
56437294 |
1 |
ON6C26H28 |
AB6C26D28 |
92.13 |
7.92 |
-8.41 |
-0.69 |
0 |
|
|
157798 |
56437303 |
1 |
SO2N6H24C25 |
AB2C6D24E25 |
43.4 |
8.51 |
-8.38 |
-1.07 |
0 |
|
|
157799 |
56437305 |
1 |
FOSN4C23H25 |
ABCD4E23F25 |
-17.18 |
3.54 |
-8.49 |
-0.21 |
0 |
|
|
157800 |
56437312 |
1 |
FSN2O5H21C22 |
ABC2D5E21F22 |
-146.71 |
6.95 |
-9.0 |
-1.33 |
0 |
|
|
157801 |
56437316 |
1 |
SN3O5C24H25 |
AB3C5D24E25 |
-95.41 |
7.81 |
-8.73 |
-1.37 |
0 |
|
|
157802 |
56437334 |
1 |
FSO2N5C21H22 |
ABC2D5E21F22 |
-35.65 |
9.08 |
-9.44 |
-1.28 |
0 |
|
|
157803 |
56437338 |
2 |
ON3C11H13 |
AB3C11D13 |
19.11 |
1.02 |
-9.4 |
-0.18 |
0 |
|
|
157804 |
56437358 |
1 |
SN4O4C20H28 |
AB4C4D20E28 |
-113.34 |
10.17 |
-9.31 |
-0.34 |
0 |
|
|
157805 |
56437362 |
1 |
N2O4C19H30 |
A2B4C19D30 |
-208.28 |
4.95 |
-9.15 |
0.14 |
0 |
|
|
157806 |
56437363 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-145.45 |
10.08 |
-9.5 |
-0.8 |
0 |
|
|
157807 |
56437371 |
1 |
ClNO3C19H26 |
ABC3D19E26 |
-139.2 |
3.07 |
-9.23 |
-0.21 |
0 |
|
|
157808 |
56437374 |
3 |
NOC8H9 |
ABC8D9 |
-76.58 |
6.05 |
-9.61 |
-1.22 |
0 |
|
|
157809 |
56437375 |
1 |
BrNO5C21H32 |
ABC5D21E32 |
-238.31 |
2.87 |
-8.23 |
0.15 |
0 |
|
|
157810 |
56437407 |
1 |
ClO3N4C20H29 |
AB3C4D20E29 |
-143.63 |
5.01 |
-9.17 |
-0.28 |
0 |
|
|
157811 |
56437410 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-95.42 |
7.58 |
-8.46 |
-0.4 |
0 |
|
|
157812 |
56437413 |
1 |
O3N5C22H31 |
A3B5C22D31 |
-76.47 |
7.56 |
-9.03 |
-0.27 |
0 |
|
|
157813 |
56437427 |
1 |
N2O3C26H28 |
A2B3C26D28 |
-50.1 |
4.79 |
-8.23 |
0.19 |
0 |
|
|
157814 |
56437445 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-129.64 |
8.31 |
-8.91 |
-0.31 |
0 |
|
|
157815 |
56437449 |
1 |
ClN4O4H19C21 |
AB4C4D19E21 |
-30.69 |
3.08 |
-8.79 |
-1.26 |
0 |
|
|
157816 |
56437457 |
1 |
SO3N5C22H25 |
AB3C5D22E25 |
-27.15 |
1.44 |
-9.12 |
-0.79 |
0 |
|
|
157817 |
56437460 |
1 |
Cl2O3N4C21H26 |
A2B3C4D21E26 |
-94.83 |
7.54 |
-9.01 |
-0.3 |
0 |
|
|
157818 |
56437462 |
1 |
F2O3N4C20H24 |
A2B3C4D20E24 |
-163.86 |
6.45 |
-9.32 |
-0.45 |
0 |
|
|
157819 |
56437466 |
1 |
O2N5C23H33 |
A2B5C23D33 |
-48.37 |
10.25 |
-8.31 |
0.0 |
0 |
|
|
157820 |
56437467 |
1 |
O4N5C24H29 |
A4B5C24D29 |
-85.05 |
8.87 |
-8.65 |
-0.51 |
0 |
|
|
157821 |
56437470 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-98.24 |
4.09 |
-8.89 |
-0.52 |
0 |
|
|
157822 |
56437473 |
1 |
ClSO2N5C20H20 |
ABC2D5E20F20 |
40.57 |
3.85 |
-8.92 |
-0.76 |
0 |
|
|
157823 |
56437474 |
1 |
FSN4O4C20H21 |
ABC4D4E20F21 |
-116.81 |
3.15 |
-9.32 |
-0.97 |
0 |
|
|
157824 |
56437477 |
1 |
ClSN4O4C17H23 |
ABC4D4E17F23 |
-108.97 |
4.33 |
-9.68 |
-1.21 |
0 |
|
|
157825 |
56437478 |
1 |
BrSN4O4C19H19 |
ABC4D4E19F19 |
-56.68 |
5.91 |
-8.99 |
-1.26 |
0 |
|
|
157826 |
56437483 |
1 |
SN4O5C18H24 |
AB4C5D18E24 |
-131.92 |
5.86 |
-9.93 |
-1.12 |
0 |
|
|
157827 |
56437486 |
1 |
FSN4O4C19H19 |
ABC4D4E19F19 |
-110.16 |
3.06 |
-9.21 |
-1.15 |
0 |
|
|
157828 |
56437491 |
1 |
NF3O4C18H24 |
AB3C4D18E24 |
-340.28 |
8.44 |
-9.46 |
-0.33 |
0 |
|
|
157829 |
56437492 |
2 |
NO3C11H14 |
AB3C11D14 |
-224.97 |
7.58 |
-8.92 |
-0.79 |
0 |
|
|
157830 |
56437507 |
1 |
SN2O5C21H34 |
AB2C5D21E34 |
-241.24 |
2.26 |
-9.42 |
-0.64 |
0 |
|
|
157831 |
56437509 |
1 |
SO4N5C22H31 |
AB4C5D22E31 |
-119.47 |
6.77 |
-9.45 |
-0.68 |
0 |
|
|
157832 |
56437510 |
1 |
SN3O4C22H29 |
AB3C4D22E29 |
-104.21 |
6.89 |
-9.23 |
-0.55 |
0 |
|
|
157833 |
56437512 |
1 |
FO2N4C19H23 |
AB2C4D19E23 |
-88.95 |
4.57 |
-8.87 |
-0.55 |
0 |
|
|
157834 |
56437514 |
1 |
F3O3N4C21H29 |
A3B3C4D21E29 |
-294.43 |
2.9 |
-9.22 |
-0.62 |
0 |
|
|
157835 |
56437516 |
1 |
SN3O3C21H27 |
AB3C3D21E27 |
-74.25 |
3.25 |
-8.67 |
-0.16 |
0 |
|
|
157836 |
56437517 |
1 |
O3N5C22H31 |
A3B5C22D31 |
-67.59 |
2.6 |
-9.08 |
-0.59 |
0 |
|
|
157837 |
56437519 |
1 |
NSF2O2C20H23 |
ABC2D2E20F23 |
-156.22 |
3.06 |
-8.58 |
-0.68 |
0 |
|
|
157838 |
56437520 |
1 |
SN3O5C17H25 |
AB3C5D17E25 |
-215.28 |
8.13 |
-8.2 |
-0.26 |
0 |
|
|
157839 |
56437533 |
1 |
O2N7C22H23 |
A2B7C22D23 |
87.49 |
3.95 |
-9.01 |
-0.89 |
0 |
|
|
157840 |
56437560 |
1 |
SO2N5H21C24 |
AB2C5D21E24 |
32.38 |
1.25 |
-8.64 |
-0.96 |
0 |
|
|
157841 |
56437564 |
1 |
N3O5C24H27 |
A3B5C24D27 |
-130.0 |
8.93 |
-8.92 |
-0.5 |
0 |
|
|
157842 |
56437566 |
1 |
N3O5C22H23 |
A3B5C22D23 |
-100.07 |
7.85 |
-8.88 |
-0.7 |
0 |
|
|
157843 |
56437567 |
1 |
N4O6C21H26 |
A4B6C21D26 |
-197.1 |
3.77 |
-8.96 |
-0.19 |
0 |
|
|
157844 |
56437568 |
1 |
N4O6C23H24 |
A4B6C23D24 |
-165.47 |
5.4 |
-8.94 |
-0.95 |
0 |
|
|
157845 |
56437586 |
1 |
F3O3N4C15H21 |
A3B3C4D15E21 |
-255.83 |
6.56 |
-9.7 |
-0.14 |
0 |
|
|
157846 |
56437593 |
1 |
O2N7C24H31 |
A2B7C24D31 |
7.28 |
11.26 |
-9.4 |
-0.55 |
0 |
|
|
157847 |
56437598 |
1 |
FO2N4C23H23 |
AB2C4D23E23 |
-31.44 |
4.98 |
-8.58 |
-0.58 |
0 |
|
|
157848 |
56437604 |
1 |
ClSN4O4C17H23 |
ABC4D4E17F23 |
-103.68 |
6.87 |
-9.64 |
-1.12 |
0 |
|
|
157849 |
56437605 |
1 |
ClO2N4H19C22 |
AB2C4D19E22 |
33.26 |
3.58 |
-9.32 |
-1.28 |
0 |
|
|
157850 |
56437607 |
1 |
SN4O4C20H22 |
AB4C4D20E22 |
-67.31 |
8.09 |
-8.78 |
-1.05 |
0 |
|
|
157851 |
56437608 |
1 |
ClSN4O5C20H21 |
ABC4D5E20F21 |
-106.53 |
3.69 |
-8.61 |
-1.02 |
0 |
|
|
157852 |
56437611 |
1 |
SBr2O2N3C11H11 |
AB2C2D3E11F11 |
10.17 |
2.05 |
-9.79 |
-1.46 |
0 |
|
|
157853 |
56437612 |
1 |
ClSN4O4C20H21 |
ABC4D4E20F21 |
-68.82 |
3.51 |
-8.96 |
-1.12 |
0 |
|
|
157854 |
56437620 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-119.78 |
7.62 |
-9.2 |
-0.32 |
0 |
|
|
157855 |
56437626 |
1 |
N2O5C23H34 |
A2B5C23D34 |
-231.4 |
2.58 |
-8.98 |
0.04 |
0 |
|
|
157856 |
56437631 |
1 |
FSN2O5C23H29 |
ABC2D5E23F29 |
-247.94 |
2.0 |
-9.03 |
-1.01 |
0 |
|
|
157857 |
56437632 |
1 |
SN3O3C22H27 |
AB3C3D22E27 |
-74.25 |
2.48 |
-8.5 |
-0.77 |
0 |
|
|
157858 |
56437635 |
1 |
SN2O7C23H34 |
AB2C7D23E34 |
-299.4 |
11.74 |
-8.89 |
-0.32 |
0 |
|
|
157859 |
56437637 |
1 |
SF2N4O4C22H26 |
AB2C4D4E22F26 |
-211.75 |
9.83 |
-9.31 |
-0.86 |
0 |
|
|
157860 |
56437638 |
1 |
ON4C25H30 |
AB4C25D30 |
42.96 |
3.6 |
-8.68 |
-0.07 |
0 |
|
|
157861 |
56437639 |
1 |
ON2C21H34 |
AB2C21D34 |
-52.66 |
0.74 |
-8.7 |
0.28 |
0 |
|
|
157862 |
56437640 |
1 |
N3O3C20H33 |
A3B3C20D33 |
-175.26 |
1.74 |
-9.59 |
0.18 |
0 |
|
|
157863 |
56437641 |
1 |
S2O4N5C18H25 |
A2B4C5D18E25 |
-103.04 |
5.19 |
-9.33 |
-2.24 |
0 |
|
|
157864 |
56437642 |
4 |
NOC5H7 |
ABC5D7 |
-159.46 |
3.94 |
-9.51 |
-0.34 |
0 |
|
|
157865 |
56437643 |
1 |
OSN2C22H30 |
ABC2D22E30 |
-21.63 |
4.44 |
-8.67 |
0.04 |
0 |
|
|
157866 |
56437644 |
1 |
SN3O6C19H29 |
AB3C6D19E29 |
-246.63 |
8.99 |
-8.71 |
-0.59 |
0 |
|
|
157867 |
56437645 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-174.07 |
5.25 |
-9.36 |
-0.7 |
0 |
|
|
157868 |
56437646 |
1 |
NSF2O2C20H23 |
ABC2D2E20F23 |
-159.14 |
3.32 |
-8.74 |
-0.54 |
0 |
|
|
157869 |
56437647 |
1 |
N2O5C18H28 |
A2B5C18D28 |
-221.74 |
4.63 |
-8.3 |
0.04 |
0 |
|
|
157870 |
56437650 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-122.09 |
3.59 |
-9.29 |
-0.62 |
0 |
|
|
157871 |
56437656 |
2 |
O2N3C10H12 |
A2B3C10D12 |
-40.62 |
5.01 |
-10.22 |
-1.0 |
0 |
|
|
157872 |
56437657 |
1 |
ClFSN4O4H18C19 |
ABCD4E4F18G19 |
-110.74 |
4.16 |
-8.95 |
-1.45 |
0 |
|
|
157873 |
56437659 |
2 |
NO3C11H17 |
AB3C11D17 |
-274.61 |
4.67 |
-8.56 |
-0.2 |
0 |
|
|
157874 |
56437660 |
1 |
BrSO3N4C16H19 |
ABC3D4E16F19 |
-59.54 |
6.48 |
-8.99 |
-0.57 |
0 |
|
|
157875 |
56437662 |
1 |
SN2O2C19H30 |
AB2C2D19E30 |
-121.02 |
6.19 |
-8.24 |
-0.13 |
0 |
|
|
157876 |
56437664 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-85.46 |
5.34 |
-8.74 |
-0.47 |
0 |
|
|
157877 |
56437665 |
1 |
F2O3N4C20H24 |
A2B3C4D20E24 |
-186.94 |
6.0 |
-8.84 |
-0.57 |
0 |
|
|
157878 |
56437666 |
1 |
O3N6C27H32 |
A3B6C27D32 |
-62.03 |
4.09 |
-8.48 |
-0.44 |
0 |
|
|
157879 |
56437667 |
1 |
FO2N5C23H32 |
AB2C5D23E32 |
-97.99 |
3.05 |
-8.33 |
-0.5 |
0 |
|
|
157880 |
56437668 |
1 |
SN4O4C20H24 |
AB4C4D20E24 |
-98.6 |
2.11 |
-8.57 |
-1.13 |
0 |
|
|
157881 |
56437669 |
1 |
N2O2F3H15C20 |
A2B2C3D15E20 |
-130.76 |
2.96 |
-9.17 |
-1.03 |
0 |
|
|
157882 |
56437670 |
1 |
ON3F4H21C22 |
AB3C4D21E22 |
-169.32 |
5.03 |
-8.97 |
-0.75 |
0 |
|
|
157883 |
56437672 |
1 |
Cl2F3N3C18H18 |
A2B3C3D18E18 |
-132.05 |
6.52 |
-9.04 |
-0.66 |
0 |
|
|
157884 |
56437676 |
1 |
Cl2N3C19H23 |
A2B3C19D23 |
22.96 |
2.3 |
-8.25 |
-0.47 |
0 |
|
|
157885 |
56458795 |
1 |
BrON5C16H18 |
ABC5D16E18 |
47.02 |
5.13 |
-8.27 |
-1.02 |
0 |
|
|
157886 |
56458796 |
1 |
ON5C17H21 |
AB5C17D21 |
34.17 |
5.05 |
-8.27 |
-0.95 |
0 |
|
|
157887 |
56458797 |
1 |
OCl2N5C16H17 |
AB2C5D16E17 |
27.87 |
5.37 |
-8.31 |
-0.93 |
0 |
|
|
157888 |
56458798 |
1 |
SO3N5H21C23 |
AB3C5D21E23 |
-13.52 |
12.0 |
-8.13 |
-1.72 |
0 |