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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
76752 |
48425330 |
1 |
F3N3O4C18H24 |
A3B3C4D18E24 |
-301.53 |
8.97 |
-9.1 |
-0.69 |
0 |
|
|
76753 |
48425331 |
1 |
FSO2N3C18H22 |
ABC2D3E18F22 |
-104.69 |
3.29 |
-9.39 |
-0.92 |
0 |
|
|
76754 |
48425333 |
1 |
SO2N3C15H25 |
AB2C3D15E25 |
-98.53 |
1.81 |
-9.3 |
-0.81 |
0 |
|
|
76755 |
48425334 |
1 |
SO2N3C14H23 |
AB2C3D14E23 |
-93.95 |
2.46 |
-9.28 |
-0.78 |
0 |
|
|
76756 |
48425335 |
2 |
NO2C6H12 |
AB2C6D12 |
-192.25 |
2.91 |
-9.62 |
0.79 |
0 |
|
|
76757 |
48425336 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-98.27 |
4.28 |
-9.26 |
-0.94 |
0 |
|
|
76758 |
48425337 |
1 |
N2O3C10H20 |
A2B3C10D20 |
-151.39 |
3.92 |
-9.66 |
0.82 |
0 |
|
|
76759 |
48425341 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-136.28 |
2.75 |
-9.68 |
0.56 |
0 |
|
|
76760 |
48425342 |
1 |
FSO2N3C16H18 |
ABC2D3E16F18 |
-80.12 |
0.72 |
-9.37 |
-1.23 |
0 |
|
|
76761 |
48425343 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-137.44 |
4.18 |
-9.52 |
0.84 |
0 |
|
|
76762 |
48425344 |
1 |
O2N3C16H31 |
A2B3C16D31 |
-131.09 |
1.99 |
-8.76 |
0.98 |
0 |
|
|
76763 |
48425345 |
1 |
SO2N3C13H21 |
AB2C3D13E21 |
-86.88 |
1.49 |
-9.32 |
-0.47 |
0 |
|
|
76764 |
48425347 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-137.09 |
4.1 |
-8.62 |
0.3 |
0 |
|
|
76765 |
48425348 |
1 |
ClN2O3C20H23 |
AB2C3D20E23 |
-97.95 |
5.36 |
-9.18 |
-0.34 |
0 |
|
|
76766 |
48425349 |
1 |
SN3O3C17H25 |
AB3C3D17E25 |
-126.44 |
4.73 |
-8.48 |
0.15 |
0 |
|
|
76767 |
48425350 |
1 |
Cl2N3O3C17H21 |
A2B3C3D17E21 |
-141.48 |
8.17 |
-9.22 |
-0.49 |
0 |
|
|
76768 |
48425351 |
1 |
N3O4C12H21 |
A3B4C12D21 |
-189.61 |
6.69 |
-9.78 |
0.56 |
0 |
|
|
76769 |
48425352 |
1 |
SN4O4C19H30 |
AB4C4D19E30 |
-163.9 |
2.41 |
-8.44 |
0.01 |
0 |
|
|
76770 |
48425353 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-125.46 |
3.12 |
-9.31 |
0.31 |
0 |
|
|
76771 |
48425355 |
1 |
N2F3O3C16H21 |
A2B3C3D16E21 |
-279.41 |
7.02 |
-9.54 |
0.13 |
0 |
|
|
76772 |
48425357 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-116.93 |
1.92 |
-8.67 |
-0.44 |
0 |
|
|
76773 |
48425358 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-76.72 |
8.57 |
-9.94 |
-1.04 |
0 |
|
|
76774 |
48425362 |
1 |
O2F3N3C20H24 |
A2B3C3D20E24 |
-188.18 |
6.13 |
-8.85 |
-0.85 |
0 |
|
|
76775 |
48425363 |
1 |
F3N3O4C18H24 |
A3B3C4D18E24 |
-306.52 |
1.45 |
-9.0 |
-0.54 |
0 |
|
|
76776 |
48425364 |
1 |
F3N3O3C20H28 |
A3B3C3D20E28 |
-285.82 |
0.93 |
-8.67 |
-0.32 |
0 |
|
|
76777 |
48425365 |
1 |
O2F3N3C19H24 |
A2B3C3D19E24 |
-221.45 |
2.06 |
-8.6 |
-0.22 |
0 |
|
|
76778 |
48425366 |
1 |
N4O4C21H28 |
A4B4C21D28 |
-152.82 |
2.05 |
-9.37 |
-0.9 |
0 |
|
|
76779 |
48425367 |
1 |
ClSN3O3C19H24 |
ABC3D3E19F24 |
-99.46 |
3.26 |
-9.06 |
-0.98 |
0 |
|
|
76780 |
48425368 |
1 |
SO2F3N3C18H20 |
AB2C3D3E18F20 |
-212.05 |
5.92 |
-9.51 |
-1.64 |
0 |
|
|
76781 |
48425369 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-57.13 |
2.71 |
-9.26 |
-0.85 |
0 |
|
|
76782 |
48425370 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-107.14 |
2.98 |
-9.28 |
-0.82 |
0 |
|
|
76783 |
48425374 |
1 |
N2O3C12H24 |
A2B3C12D24 |
-162.9 |
2.0 |
-9.49 |
0.72 |
0 |
|
|
76784 |
48425375 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-101.17 |
2.28 |
-9.1 |
-0.12 |
0 |
|
|
76785 |
48425379 |
1 |
O2F3N4C17H19 |
A2B3C4D17E19 |
-186.36 |
8.0 |
-9.79 |
-1.18 |
0 |
|
|
76786 |
48425381 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-105.47 |
1.39 |
-8.65 |
-0.2 |
0 |
|
|
76787 |
48425382 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-72.75 |
3.05 |
-8.56 |
-0.12 |
0 |
|
|
76788 |
48425385 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-63.48 |
8.13 |
-9.88 |
-1.07 |
0 |
|
|
76789 |
48425389 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-90.29 |
2.35 |
-9.19 |
-0.11 |
0 |
|
|
76790 |
48425390 |
1 |
SCl2N2O2C15H20 |
AB2C2D2E15F20 |
-102.09 |
3.23 |
-9.08 |
-0.6 |
0 |
|
|
76791 |
48425391 |
1 |
BrN2O3C16H23 |
AB2C3D16E23 |
-132.99 |
4.13 |
-9.32 |
-0.57 |
0 |
|
|
76792 |
48425392 |
1 |
SN2O2C13H26 |
AB2C2D13E26 |
-127.11 |
1.2 |
-8.78 |
0.28 |
0 |
|
|
76793 |
48425393 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-44.29 |
2.12 |
-8.64 |
-0.25 |
0 |
|
|
76794 |
48425394 |
1 |
N2O2F3C17H23 |
A2B2C3D17E23 |
-257.7 |
6.56 |
-9.79 |
-0.52 |
0 |
|
|
76795 |
48425395 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-72.2 |
3.91 |
-9.17 |
0.55 |
0 |
|
|
76796 |
48425396 |
1 |
SN2O2C13H26 |
AB2C2D13E26 |
-130.76 |
3.17 |
-8.68 |
0.3 |
0 |
|
|
76797 |
48425397 |
1 |
N4O4C13H20 |
A4B4C13D20 |
-172.75 |
6.62 |
-9.76 |
-0.38 |
0 |
|
|
76798 |
48425398 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-68.31 |
3.71 |
-9.67 |
-0.4 |
0 |
|
|
76799 |
48425399 |
1 |
FN3O3C16H22 |
AB3C3D16E22 |
-172.74 |
3.17 |
-9.62 |
-0.64 |
0 |
|
|
76800 |
48425400 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-84.32 |
2.0 |
-9.04 |
-0.6 |
0 |
|
|
76801 |
48425402 |
1 |
FN3O3C17H24 |
AB3C3D17E24 |
-178.1 |
6.98 |
-9.77 |
-0.47 |
0 |
|
|
76802 |
48425404 |
1 |
SN4O6C16H24 |
AB4C6D16E24 |
-148.06 |
5.21 |
-8.73 |
-1.85 |
0 |
|
|
76803 |
48425405 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-126.17 |
5.38 |
-8.84 |
-0.42 |
0 |
|
|
76804 |
48425407 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-23.65 |
3.15 |
-8.94 |
-0.49 |
0 |
|
|
76805 |
48425409 |
2 |
ON3C9H13 |
AB3C9D13 |
-7.78 |
5.36 |
-9.25 |
-0.43 |
0 |
|
|
76806 |
48425410 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-109.48 |
4.21 |
-9.44 |
-0.58 |
0 |
|
|
76807 |
48425411 |
2 |
NO2C8H12 |
AB2C8D12 |
-158.77 |
2.69 |
-9.31 |
-0.44 |
0 |
|
|
76808 |
48425412 |
2 |
NO2C8H12 |
AB2C8D12 |
-156.37 |
3.24 |
-9.05 |
-0.12 |
0 |
|
|
76809 |
48425413 |
2 |
NO2C10H13 |
AB2C10D13 |
-134.97 |
2.34 |
-8.56 |
-0.44 |
0 |
|
|
76810 |
48425414 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-72.29 |
2.62 |
-9.25 |
0.26 |
0 |
|
|
76811 |
48425417 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-106.97 |
2.46 |
-8.91 |
-0.53 |
0 |
|
|
76812 |
48425418 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-67.32 |
3.36 |
-8.8 |
-0.42 |
0 |
|
|
76813 |
48425419 |
1 |
F2N2O2C15H20 |
A2B2C2D15E20 |
-183.76 |
3.0 |
-9.65 |
-0.47 |
0 |
|
|
76814 |
48425420 |
1 |
BrSO3N4C15H19 |
ABC3D4E15F19 |
-49.44 |
2.83 |
-9.36 |
-1.27 |
0 |
|
|
76815 |
48425421 |
1 |
N3O4C15H23 |
A3B4C15D23 |
-151.21 |
1.92 |
-9.53 |
-0.55 |
0 |
|
|
76816 |
48425422 |
1 |
SN2O4C10H20 |
AB2C4D10E20 |
-197.13 |
6.65 |
-9.91 |
0.5 |
0 |
|
|
76817 |
48425424 |
1 |
FN3O3C17H20 |
AB3C3D17E20 |
-113.01 |
7.83 |
-9.51 |
-0.39 |
0 |
|
|
76818 |
48425425 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-56.52 |
2.82 |
-9.29 |
-0.72 |
0 |
|
|
76819 |
48425426 |
1 |
SN3O4C15H29 |
AB3C4D15E29 |
-207.77 |
4.56 |
-9.47 |
0.13 |
0 |
|
|
76820 |
48425427 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-128.96 |
1.97 |
-9.53 |
0.22 |
0 |
|
|
76821 |
48425428 |
1 |
N2O4C13H26 |
A2B4C13D26 |
-197.63 |
3.35 |
-9.66 |
0.89 |
0 |
|
|
76822 |
48425429 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-80.85 |
1.08 |
-9.54 |
-0.82 |
0 |
|
|
76823 |
48425431 |
1 |
FSN2O2C16H19 |
ABC2D2E16F19 |
-116.41 |
3.42 |
-8.76 |
-1.07 |
0 |
|
|
76824 |
48425432 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-147.99 |
3.46 |
-8.78 |
-0.16 |
0 |
|
|
76825 |
48425434 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-141.61 |
4.94 |
-8.82 |
-0.5 |
0 |
|
|
76826 |
48425435 |
1 |
SN2O4C12H24 |
AB2C4D12E24 |
-205.34 |
6.63 |
-9.69 |
0.32 |
0 |
|
|
76827 |
48425437 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-75.5 |
4.44 |
-8.66 |
-0.17 |
0 |
|
|
76828 |
48425440 |
1 |
ClN3O3C12H16 |
AB3C3D12E16 |
-126.95 |
7.56 |
-9.37 |
-0.96 |
0 |
|
|
76829 |
48425442 |
1 |
ClN3O3C16H18 |
AB3C3D16E18 |
-57.68 |
3.83 |
-9.71 |
-1.16 |
0 |
|
|
76830 |
48425443 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-72.73 |
3.52 |
-8.84 |
-0.41 |
0 |
|
|
76831 |
48425445 |
1 |
BrN3O4C14H20 |
AB3C4D14E20 |
-136.29 |
4.7 |
-9.45 |
-0.8 |
0 |
|
|
76832 |
48425446 |
1 |
SN3O3C14H27 |
AB3C3D14E27 |
-167.6 |
3.29 |
-8.51 |
0.62 |
0 |
|
|
76833 |
48425447 |
1 |
F2N2O3C15H20 |
A2B2C3D15E20 |
-211.89 |
3.62 |
-9.31 |
-0.43 |
0 |
|
|
76834 |
48425449 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-80.16 |
3.57 |
-8.74 |
-0.66 |
0 |
|
|
76835 |
48425450 |
2 |
ON2C6H10 |
AB2C6D10 |
-63.24 |
3.81 |
-9.19 |
0.38 |
0 |
|
|
76836 |
48425456 |
3 |
NOC5H9 |
ABC5D9 |
-167.38 |
2.94 |
-9.32 |
0.83 |
0 |
|
|
76837 |
48425458 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-168.73 |
4.68 |
-9.14 |
0.66 |
0 |
|
|
76838 |
48425459 |
1 |
N3O3C13H25 |
A3B3C13D25 |
-171.2 |
4.73 |
-9.66 |
0.6 |
0 |
|
|
76839 |
48425461 |
1 |
N2O5C18H28 |
A2B5C18D28 |
-200.67 |
2.46 |
-8.64 |
0.2 |
0 |
|
|
76840 |
48425462 |
1 |
N2O3C13H26 |
A2B3C13D26 |
-166.85 |
1.39 |
-9.57 |
0.65 |
0 |
|
|
76841 |
48425464 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-57.16 |
2.74 |
-8.59 |
-0.07 |
0 |
|
|
76842 |
48425465 |
1 |
FN2O3C16H23 |
AB2C3D16E23 |
-180.05 |
4.23 |
-9.16 |
0.01 |
0 |
|
|
76843 |
48425466 |
1 |
ClSN3O3C17H24 |
ABC3D3E17F24 |
-123.85 |
7.01 |
-9.48 |
-0.9 |
0 |
|
|
76844 |
48425467 |
1 |
FO3N4C18H23 |
AB3C4D18E23 |
-115.32 |
5.92 |
-9.46 |
-0.82 |
0 |
|
|
76845 |
48425468 |
1 |
FO3N4C18H23 |
AB3C4D18E23 |
-115.02 |
6.17 |
-9.51 |
-0.8 |
0 |
|
|
76846 |
48425470 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-167.79 |
6.12 |
-9.21 |
0.62 |
0 |
|
|
76847 |
48425471 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-45.05 |
3.81 |
-9.05 |
-0.26 |
0 |
|
|
76848 |
48425472 |
1 |
N2O4C13H26 |
A2B4C13D26 |
-199.56 |
2.56 |
-9.6 |
0.78 |
0 |
|
|
76849 |
48425474 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-175.07 |
3.85 |
-8.84 |
0.26 |
0 |
|
|
76850 |
48425479 |
1 |
O2F3N4C12H17 |
A2B3C4D12E17 |
-216.12 |
6.79 |
-9.75 |
-0.13 |
0 |
|
|
76851 |
48425480 |
1 |
BrFN2O3C15H20 |
ABC2D3E15F20 |
-160.46 |
3.31 |
-9.66 |
-0.72 |
0 |