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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
422742 |
135118332 |
1 |
O3N5C20H21 |
A3B5C20D21 |
12.14 |
4.51 |
-9.16 |
-1.1 |
0 |
|
|
422743 |
135118334 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-54.19 |
4.71 |
-8.41 |
-0.55 |
0 |
|
|
422744 |
135118338 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-115.84 |
6.4 |
-9.04 |
-0.46 |
0 |
|
|
422745 |
135118341 |
1 |
SO2N5C23H25 |
AB2C5D23E25 |
11.16 |
3.12 |
-9.39 |
-0.65 |
0 |
|
|
422746 |
135118343 |
2 |
ON2C10H13 |
AB2C10D13 |
-40.52 |
7.07 |
-8.82 |
-0.45 |
0 |
|
|
422747 |
135118344 |
1 |
OSN3C22H27 |
ABC3D22E27 |
-8.28 |
2.74 |
-8.63 |
-0.71 |
0 |
|
|
422748 |
135118347 |
1 |
NSO5C16H23 |
ABC5D16E23 |
-213.84 |
3.28 |
-9.57 |
-0.56 |
0 |
|
|
422749 |
135118349 |
1 |
SN2O5C18H22 |
AB2C5D18E22 |
-175.79 |
4.78 |
-9.28 |
-0.84 |
0 |
|
|
422750 |
135118350 |
1 |
O2N5C17H25 |
A2B5C17D25 |
-60.78 |
6.17 |
-8.83 |
-0.31 |
0 |
|
|
422751 |
135118351 |
1 |
NO2C20H31 |
AB2C20D31 |
-93.31 |
4.0 |
-8.61 |
0.44 |
0 |
|
|
422752 |
135118353 |
1 |
ON3C21H21 |
AB3C21D21 |
66.98 |
1.24 |
-8.93 |
-0.22 |
0 |
|
|
422753 |
135118354 |
1 |
O2N5C21H29 |
A2B5C21D29 |
-9.17 |
5.2 |
-8.76 |
0.15 |
0 |
|
|
422754 |
135118355 |
1 |
O3N4C24H32 |
A3B4C24D32 |
-52.59 |
6.64 |
-8.67 |
-1.02 |
0 |
|
|
422755 |
135118356 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-173.26 |
6.0 |
-8.85 |
-0.8 |
0 |
|
|
422756 |
135118357 |
1 |
ClON2C18H25 |
ABC2D18E25 |
-50.81 |
5.23 |
-8.97 |
-0.04 |
0 |
|
|
422757 |
135118358 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-56.13 |
6.56 |
-8.9 |
-0.84 |
0 |
|
|
422758 |
135118360 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-15.3 |
5.41 |
-8.54 |
-0.6 |
0 |
|
|
422759 |
135118362 |
1 |
N2O5C20H28 |
A2B5C20D28 |
-179.61 |
6.73 |
-8.97 |
0.08 |
0 |
|
|
422760 |
135118363 |
1 |
O2N5C23H27 |
A2B5C23D27 |
-9.46 |
2.64 |
-8.77 |
-0.66 |
0 |
|
|
422761 |
135118364 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-60.66 |
4.45 |
-8.9 |
-0.67 |
0 |
|
|
422762 |
135118365 |
1 |
FO2N3C14H14 |
AB2C3D14E14 |
-52.24 |
2.07 |
-9.02 |
-0.42 |
0 |
|
|
422763 |
135118366 |
1 |
OF2N2C21H30 |
AB2C2D21E30 |
-133.97 |
3.76 |
-8.53 |
-0.11 |
0 |
|
|
422764 |
135118367 |
1 |
ON3C23H31 |
AB3C23D31 |
-7.03 |
4.35 |
-8.31 |
-0.31 |
0 |
|
|
422765 |
135118368 |
1 |
SO2N5C17H21 |
AB2C5D17E21 |
-33.86 |
9.69 |
-9.02 |
-0.68 |
0 |
|
|
422766 |
135118369 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-35.27 |
2.93 |
-9.07 |
-0.59 |
0 |
|
|
422767 |
135118370 |
1 |
SO2N4C21H24 |
AB2C4D21E24 |
-5.02 |
7.0 |
-9.07 |
-0.92 |
0 |
|
|
422768 |
135118374 |
2 |
ON2C6H9 |
AB2C6D9 |
-44.34 |
4.24 |
-8.94 |
-0.15 |
0 |
|
|
422769 |
135118377 |
1 |
N3O4C13H19 |
A3B4C13D19 |
-152.0 |
11.13 |
-9.83 |
-0.41 |
0 |
|
|
422770 |
135118381 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-52.34 |
7.38 |
-7.9 |
-0.24 |
0 |
|
|
422771 |
135118384 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-72.81 |
4.43 |
-8.42 |
0.1 |
0 |
|
|
422772 |
135118385 |
1 |
ClOF2N3C14H14 |
ABC2D3E14F14 |
-85.2 |
1.09 |
-9.24 |
-1.1 |
0 |
|
|
422773 |
135118386 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-99.19 |
7.01 |
-8.61 |
-0.24 |
0 |
|
|
422774 |
135118387 |
1 |
NF2O3C22H23 |
AB2C3D22E23 |
-199.13 |
4.72 |
-9.51 |
-0.36 |
0 |
|
|
422775 |
135118389 |
1 |
SO2N6C16H22 |
AB2C6D16E22 |
-14.97 |
2.42 |
-9.2 |
-0.7 |
0 |
|
|
422776 |
135118390 |
1 |
N2S2O4C17H26 |
A2B2C4D17E26 |
-150.04 |
4.13 |
-8.97 |
-0.24 |
0 |
|
|
422777 |
135118391 |
1 |
ON5C16H27 |
AB5C16D27 |
-28.67 |
3.42 |
-8.26 |
0.46 |
0 |
|
|
422778 |
135118392 |
1 |
N2O5C16H18 |
A2B5C16D18 |
-129.64 |
3.05 |
-9.18 |
-1.06 |
0 |
|
|
422779 |
135118393 |
1 |
FSO2N4C15H17 |
ABC2D4E15F17 |
-34.39 |
4.23 |
-9.08 |
-0.8 |
0 |
|
|
422780 |
135118394 |
1 |
FO2N4C18H23 |
AB2C4D18E23 |
-70.28 |
3.77 |
-9.01 |
-0.2 |
0 |
|
|
422781 |
135118399 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-34.43 |
3.62 |
-8.78 |
-0.12 |
0 |
|
|
422782 |
135118400 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-50.23 |
4.49 |
-8.77 |
-0.74 |
0 |
|
|
422783 |
135118401 |
1 |
N2O5C15H24 |
A2B5C15D24 |
-232.1 |
2.17 |
-9.58 |
0.48 |
0 |
|
|
422784 |
135118403 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-31.78 |
4.03 |
-8.48 |
0.02 |
0 |
|
|
422785 |
135118405 |
1 |
SO6N7C35H45 |
AB6C7D35E45 |
-223.42 |
5.18 |
-9.22 |
-0.8 |
0 |
|
|
422786 |
135118408 |
1 |
FSN3O4C16H20 |
ABC3D4E16F20 |
-194.39 |
4.63 |
-9.76 |
-1.19 |
0 |
|
|
422787 |
135118409 |
1 |
O2N6C17H20 |
A2B6C17D20 |
32.49 |
2.17 |
-9.19 |
-1.17 |
0 |
|
|
422788 |
135118410 |
1 |
O2N7C18H21 |
A2B7C18D21 |
58.72 |
7.22 |
-9.46 |
-1.27 |
0 |
|
|
422789 |
135118412 |
1 |
SN5C18H19 |
AB5C18D19 |
81.97 |
2.39 |
-8.84 |
-0.86 |
0 |
|
|
422790 |
135118414 |
1 |
ClON4C21H25 |
ABC4D21E25 |
4.29 |
2.65 |
-9.22 |
-1.2 |
0 |
|
|
422791 |
135118415 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-54.58 |
6.29 |
-9.46 |
-0.07 |
0 |
|
|
422792 |
135118416 |
1 |
ClO4N7C30H36 |
AB4C7D30E36 |
-87.13 |
4.66 |
-9.36 |
-0.66 |
0 |
|
|
422793 |
135118417 |
1 |
NSF2O3C19H19 |
ABC2D3E19F19 |
-165.18 |
2.5 |
-9.24 |
-0.72 |
0 |
|
|
422794 |
135118418 |
2 |
ON2C11H14 |
AB2C11D14 |
-38.98 |
3.24 |
-8.6 |
-0.05 |
0 |
|
|
422795 |
135118419 |
1 |
N5O5C20H33 |
A5B5C20D33 |
-249.54 |
8.05 |
-9.75 |
0.2 |
0 |
|
|
422796 |
135118422 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-78.41 |
4.03 |
-9.26 |
0.33 |
0 |
|
|
422797 |
135118424 |
1 |
OSN3C19H25 |
ABC3D19E25 |
-21.87 |
2.52 |
-8.6 |
-0.73 |
0 |
|
|
422798 |
135118425 |
1 |
ClN2O3C18H23 |
AB2C3D18E23 |
-133.67 |
3.15 |
-9.76 |
-0.41 |
0 |
|
|
422799 |
135118426 |
1 |
SO6N11C37H49 |
AB6C11D37E49 |
-151.99 |
11.27 |
-8.45 |
-1.07 |
0 |
|
|
422800 |
135118429 |
1 |
ON6C18H26 |
AB6C18D26 |
17.49 |
6.13 |
-9.05 |
-0.64 |
0 |
|
|
422801 |
135118431 |
1 |
O3N4C21H26 |
A3B4C21D26 |
2.54 |
3.07 |
-9.18 |
-0.41 |
0 |
|
|
422802 |
135118433 |
2 |
O2N3C16H20 |
A2B3C16D20 |
-137.06 |
3.13 |
-8.48 |
-0.9 |
0 |
|
|
422803 |
135118440 |
1 |
SO5N9C36H51 |
AB5C9D36E51 |
-164.43 |
5.16 |
-9.34 |
-1.23 |
0 |
|
|
422804 |
135118441 |
1 |
ON3C22H27 |
AB3C22D27 |
-21.95 |
4.22 |
-8.8 |
-0.25 |
0 |
|
|
422805 |
135118442 |
1 |
N5O5C37H45 |
A5B5C37D45 |
-175.2 |
7.41 |
-9.45 |
-0.7 |
0 |
|
|
422806 |
135118446 |
1 |
SO2N4C21H24 |
AB2C4D21E24 |
-6.89 |
6.12 |
-9.19 |
-0.59 |
0 |
|
|
422807 |
135118447 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
-2.91 |
5.88 |
-8.8 |
-0.43 |
0 |
|
|
422808 |
135118450 |
1 |
SO6N7C33H41 |
AB6C7D33E41 |
-207.84 |
3.88 |
-9.56 |
-1.49 |
0 |
|
|
422809 |
135118451 |
1 |
SO3N4C16H22 |
AB3C4D16E22 |
-75.98 |
8.69 |
-8.5 |
-0.06 |
0 |
|
|
422810 |
135118453 |
1 |
N2O3C18H30 |
A2B3C18D30 |
-178.68 |
3.92 |
-9.29 |
1.01 |
0 |
|
|
422811 |
135118454 |
1 |
O2N3F6C17H17 |
A2B3C6D17E17 |
-375.3 |
2.91 |
-9.38 |
-1.54 |
0 |
|
|
422812 |
135118455 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-134.18 |
5.0 |
-8.57 |
-0.21 |
0 |
|
|
422813 |
135118460 |
1 |
ON5C15H21 |
AB5C15D21 |
4.14 |
7.7 |
-8.78 |
0.0 |
0 |
|
|
422814 |
135118461 |
1 |
ON5C20H27 |
AB5C20D27 |
6.24 |
1.53 |
-8.28 |
0.06 |
0 |
|
|
422815 |
135118462 |
1 |
FNO5H14C15 |
ABC5D14E15 |
-214.04 |
7.45 |
-10.15 |
-0.72 |
0 |
|
|
422816 |
135118463 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-18.2 |
6.42 |
-8.45 |
0.13 |
0 |
|
|
422817 |
135118467 |
1 |
SN2O3C20H28 |
AB2C3D20E28 |
-99.0 |
6.04 |
-8.85 |
-0.61 |
0 |
|
|
422818 |
135118468 |
1 |
ON5C19H25 |
AB5C19D25 |
29.75 |
5.43 |
-8.86 |
-0.22 |
0 |
|
|
422819 |
135118469 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-113.95 |
2.26 |
-9.28 |
-1.1 |
0 |
|
|
422820 |
135118470 |
1 |
OSN3C12H19 |
ABC3D12E19 |
-19.9 |
2.76 |
-8.66 |
-0.26 |
0 |
|
|
422821 |
135118472 |
1 |
ClFN2O2C15H18 |
ABC2D2E15F18 |
-117.73 |
5.98 |
-9.12 |
-0.52 |
0 |
|
|
422822 |
135118474 |
1 |
SN6O6C32H46 |
AB6C6D32E46 |
-255.1 |
6.55 |
-8.79 |
-0.49 |
0 |
|
|
422823 |
135118477 |
1 |
N7O8C33H47 |
A7B8C33D47 |
-365.76 |
9.95 |
-9.25 |
-0.01 |
0 |
|
|
422824 |
135118478 |
1 |
N6C19H24 |
A6B19C24 |
90.46 |
4.56 |
-8.62 |
-0.43 |
0 |
|
|
422825 |
135118479 |
1 |
ClFN2O3C16H20 |
ABC2D3E16F20 |
-176.24 |
8.95 |
-9.1 |
-1.06 |
0 |
|
|
422826 |
135118480 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-119.1 |
5.5 |
-9.48 |
-0.01 |
0 |
|
|
422827 |
135118481 |
1 |
SO2N6C15H26 |
AB2C6D15E26 |
-16.28 |
4.54 |
-7.93 |
-0.08 |
0 |
|
|
422828 |
135118482 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
-6.33 |
2.91 |
-8.99 |
-1.02 |
0 |
|
|
422829 |
135118483 |
1 |
ClN3O3C19H20 |
AB3C3D19E20 |
-50.09 |
2.84 |
-8.71 |
-0.73 |
0 |
|
|
422830 |
135118484 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-92.05 |
7.05 |
-8.19 |
0.5 |
0 |
|
|
422832 |
135118486 |
1 |
N2O3C19H32 |
A2B3C19D32 |
-172.13 |
3.7 |
-9.16 |
1.1 |
0 |
|
|
422834 |
135118489 |
1 |
FSN3O5C19H24 |
ABC3D5E19F24 |
-183.03 |
4.25 |
-9.35 |
-0.26 |
0 |
|
|
422835 |
135118491 |
1 |
ClO2N4H19C20 |
AB2C4D19E20 |
-9.52 |
6.13 |
-9.24 |
-1.08 |
0 |
|
|
422836 |
135118492 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-35.06 |
4.53 |
-8.76 |
-0.41 |
0 |
|
|
422837 |
135118493 |
1 |
NO6C29H31 |
AB6C29D31 |
-208.92 |
8.91 |
-8.66 |
-0.58 |
0 |
|
|
422838 |
135118494 |
1 |
O4N5C28H33 |
A4B5C28D33 |
-46.73 |
6.96 |
-8.66 |
-0.22 |
0 |
|
|
422839 |
135118495 |
1 |
N5C23H27 |
A5B23C27 |
78.01 |
0.61 |
-8.66 |
-0.72 |
0 |
|
|
422840 |
135118496 |
1 |
ON6C22H26 |
AB6C22D26 |
38.62 |
7.63 |
-8.49 |
-0.44 |
0 |
|
|
422841 |
135118498 |
1 |
FSN3O4C16H22 |
ABC3D4E16F22 |
-173.35 |
5.11 |
-9.22 |
-0.7 |
0 |
|
|
422842 |
135118500 |
2 |
NOC11H14 |
ABC11D14 |
-65.46 |
3.67 |
-8.96 |
-0.69 |
0 |
|
|
422843 |
135118501 |
1 |
ON4C18H26 |
AB4C18D26 |
-2.39 |
5.4 |
-8.97 |
0.01 |
0 |