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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
145564 |
53545261 |
3 |
NOC6H9 |
ABC6D9 |
-127.49 |
2.92 |
-8.98 |
0.41 |
0 |
|
|
145565 |
53545440 |
1 |
O2N4C15H16 |
A2B4C15D16 |
-34.17 |
5.02 |
-9.47 |
-0.16 |
0 |
|
|
145566 |
53545611 |
1 |
OSN4H16C19 |
ABC4D16E19 |
57.07 |
2.79 |
-8.5 |
-0.87 |
0 |
|
|
145567 |
53545612 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-37.28 |
8.08 |
-9.18 |
-0.72 |
0 |
|
|
145568 |
53545842 |
1 |
SF2N2O3C14H16 |
AB2C2D3E14F16 |
-148.39 |
2.87 |
-9.78 |
-1.36 |
0 |
|
|
145569 |
53546162 |
1 |
SF2N2O3C15H20 |
AB2C2D3E15F20 |
-211.65 |
5.62 |
-9.39 |
-1.24 |
0 |
|
|
145570 |
53546325 |
1 |
OSN4C18H26 |
ABC4D18E26 |
6.42 |
4.28 |
-8.15 |
0.03 |
0 |
|
|
145571 |
53546348 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-45.95 |
3.53 |
-8.69 |
-0.15 |
0 |
|
|
145572 |
53546376 |
2 |
N2O2H8C9 |
A2B2C8D9 |
-30.98 |
9.06 |
-9.06 |
-1.18 |
0 |
|
|
145573 |
53546524 |
1 |
OSN4C14H18 |
ABC4D14E18 |
35.38 |
2.27 |
-9.1 |
-0.48 |
0 |
|
|
145574 |
53547159 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-180.48 |
4.53 |
-8.76 |
-0.49 |
0 |
|
|
145575 |
53547185 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-78.45 |
8.24 |
-8.48 |
-0.31 |
0 |
|
|
145576 |
53547675 |
1 |
ON5C19H29 |
AB5C19D29 |
10.77 |
4.96 |
-8.75 |
0.14 |
0 |
|
|
145577 |
53547785 |
1 |
OSN3C19H23 |
ABC3D19E23 |
14.75 |
4.55 |
-8.59 |
-0.44 |
0 |
|
|
145578 |
53548399 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-59.22 |
3.74 |
-8.87 |
-0.05 |
0 |
|
|
145579 |
53548472 |
1 |
ON5C19H27 |
AB5C19D27 |
9.66 |
7.24 |
-8.37 |
0.15 |
0 |
|
|
145580 |
53548514 |
1 |
SN2O2C19H24 |
AB2C2D19E24 |
-36.06 |
3.17 |
-8.98 |
-0.23 |
0 |
|
|
145581 |
53548634 |
1 |
OSN5H13C17 |
ABC5D13E17 |
90.29 |
4.85 |
-8.56 |
-1.32 |
0 |
|
|
145582 |
53548756 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-132.2 |
1.65 |
-8.85 |
0.11 |
0 |
|
|
145583 |
53548757 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
10.6 |
5.75 |
-9.13 |
-1.54 |
0 |
|
|
145584 |
53548758 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-105.78 |
4.57 |
-9.15 |
-0.13 |
0 |
|
|
145585 |
53548826 |
1 |
BrNO3C15H20 |
ABC3D15E20 |
-122.59 |
4.42 |
-9.3 |
0.0 |
0 |
|
|
145586 |
53548926 |
1 |
ON7C17H21 |
AB7C17D21 |
56.78 |
7.72 |
-8.67 |
-0.35 |
0 |
|
|
145587 |
53548927 |
2 |
NO2C13H17 |
AB2C13D17 |
-156.71 |
5.1 |
-8.93 |
-0.24 |
0 |
|
|
145588 |
53549267 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-142.25 |
2.85 |
-8.71 |
0.1 |
0 |
|
|
145589 |
53549999 |
1 |
FN2O2C17H23 |
AB2C2D17E23 |
-150.41 |
4.42 |
-9.26 |
-0.53 |
0 |
|
|
145590 |
53550330 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-147.13 |
4.99 |
-9.06 |
-0.05 |
0 |
|
|
145591 |
53550331 |
1 |
SN2O3C15H22 |
AB2C3D15E22 |
-124.96 |
3.05 |
-9.35 |
-0.53 |
0 |
|
|
145592 |
53550794 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-20.82 |
3.1 |
-9.11 |
-0.22 |
0 |
|
|
145593 |
53552062 |
1 |
ON4C18H20 |
AB4C18D20 |
41.97 |
2.44 |
-8.34 |
-0.77 |
0 |
|
|
145594 |
53552091 |
1 |
FON4H17C18 |
ABC4D17E18 |
1.07 |
3.18 |
-9.4 |
-0.45 |
0 |
|
|
145595 |
53552167 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-104.37 |
2.51 |
-8.64 |
-0.23 |
0 |
|
|
145596 |
53552701 |
1 |
FSO2N4H15C16 |
ABC2D4E15F16 |
-32.88 |
5.63 |
-9.02 |
-0.75 |
0 |
|
|
145597 |
53553250 |
1 |
SN3O3H13C17 |
AB3C3D13E17 |
-24.14 |
8.95 |
-8.9 |
-1.24 |
0 |
|
|
145598 |
53554270 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-73.92 |
4.32 |
-9.13 |
-0.46 |
0 |
|
|
145599 |
53554368 |
1 |
OSN4C18H18 |
ABC4D18E18 |
56.03 |
3.22 |
-8.57 |
-0.73 |
0 |
|
|
145600 |
53554516 |
1 |
SN2O4C16H18 |
AB2C4D16E18 |
-121.25 |
6.03 |
-8.77 |
-0.61 |
0 |
|
|
145601 |
53554577 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-98.54 |
4.27 |
-8.76 |
-0.52 |
0 |
|
|
145602 |
53554578 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-79.56 |
6.35 |
-8.65 |
0.01 |
0 |
|
|
145603 |
53554579 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-82.68 |
4.0 |
-8.82 |
-0.02 |
0 |
|
|
145604 |
53555033 |
1 |
SO3N4H14C16 |
AB3C4D14E16 |
-44.68 |
1.18 |
-8.83 |
-0.99 |
0 |
|
|
145605 |
53555091 |
1 |
O2N4C17H32 |
A2B4C17D32 |
-120.76 |
6.83 |
-8.74 |
1.05 |
0 |
|
|
145606 |
53555687 |
1 |
BrSN2O3C16H19 |
ABC2D3E16F19 |
-89.26 |
3.05 |
-8.85 |
-0.14 |
0 |
|
|
145607 |
53556119 |
2 |
OSN2C7H7 |
ABC2D7E7 |
38.81 |
7.5 |
-7.89 |
-1.34 |
0 |
|
|
145608 |
53556120 |
1 |
SN3O4H15C16 |
AB3C4D15E16 |
-63.27 |
2.0 |
-9.12 |
-0.76 |
0 |
|
|
145609 |
53556121 |
1 |
FSO2N3H16C17 |
ABC2D3E16F17 |
-52.28 |
2.74 |
-8.43 |
-1.35 |
0 |
|
|
145610 |
53556203 |
1 |
N2O3C20H32 |
A2B3C20D32 |
-150.16 |
7.92 |
-9.29 |
0.2 |
0 |
|
|
145611 |
53556856 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-122.58 |
7.3 |
-8.17 |
0.08 |
0 |
|
|
145612 |
53556870 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-19.01 |
3.55 |
-8.88 |
-0.03 |
0 |
|
|
145613 |
53557241 |
1 |
SO2N3F4H7C11 |
AB2C3D4E7F11 |
-192.89 |
3.32 |
-10.81 |
-1.67 |
0 |
|
|
145614 |
53557242 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-39.8 |
9.83 |
-8.73 |
-0.44 |
0 |
|
|
145615 |
53557243 |
1 |
SF2N2O4C13H18 |
AB2C2D4E13F18 |
-252.88 |
9.68 |
-9.6 |
-0.74 |
0 |
|
|
145616 |
53557244 |
2 |
NOC9H14 |
ABC9D14 |
-82.81 |
4.17 |
-8.95 |
0.03 |
0 |
|
|
145617 |
53557245 |
1 |
OSF3N3H20C21 |
ABC3D3E20F21 |
-134.75 |
2.58 |
-8.29 |
-1.16 |
0 |
|
|
145618 |
53557246 |
1 |
ClON8H9C14 |
ABC8D9E14 |
149.12 |
2.94 |
-9.14 |
-2.06 |
0 |
|
|
145619 |
53557519 |
1 |
INO2S2C8H12 |
ABC2D2E8F12 |
-49.18 |
5.11 |
-9.34 |
-1.08 |
0 |
|
|
145620 |
53557593 |
1 |
F3N4O4H17C20 |
A3B4C4D17E20 |
-235.9 |
3.31 |
-9.72 |
-1.89 |
0 |
|
|
145621 |
53557594 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-44.69 |
5.14 |
-8.85 |
-0.01 |
0 |
|
|
145622 |
53557595 |
1 |
OSN4C18H20 |
ABC4D18E20 |
35.15 |
6.97 |
-9.05 |
-0.76 |
0 |
|
|
145623 |
53557596 |
1 |
ClOSN5H12C14 |
ABCD5E12F14 |
70.74 |
3.81 |
-9.43 |
-1.5 |
0 |
|
|
145624 |
53557597 |
1 |
ClN2O3H17C18 |
AB2C3D17E18 |
-67.79 |
5.86 |
-9.52 |
-0.46 |
0 |
|
|
145625 |
53558068 |
1 |
OS2N4C13H18 |
AB2C4D13E18 |
-0.07 |
2.71 |
-8.3 |
-0.48 |
0 |
|
|
145626 |
53559576 |
1 |
SN2O2C15H16 |
AB2C2D15E16 |
-24.45 |
4.13 |
-9.2 |
-0.84 |
0 |
|
|
145627 |
53559577 |
1 |
FO2N3C17H24 |
AB2C3D17E24 |
-137.26 |
0.78 |
-9.31 |
-0.35 |
0 |
|
|
145628 |
53559791 |
1 |
ClO2N4C16H17 |
AB2C4D16E17 |
-15.51 |
4.69 |
-9.03 |
-1.1 |
0 |
|
|
145629 |
53560014 |
1 |
SN3O3C16H23 |
AB3C3D16E23 |
-82.98 |
6.38 |
-8.5 |
0.21 |
0 |
|
|
145630 |
53560550 |
1 |
NF3O3C17H22 |
AB3C3D17E22 |
-267.08 |
3.1 |
-8.76 |
0.14 |
0 |
|
|
145631 |
53560594 |
1 |
ClSN2O2C15H17 |
ABC2D2E15F17 |
-49.24 |
4.05 |
-8.93 |
-0.22 |
0 |
|
|
145632 |
53560892 |
1 |
ClON4C20H29 |
ABC4D20E29 |
-43.86 |
6.34 |
-8.23 |
0.15 |
0 |
|
|
145633 |
53560961 |
1 |
SN3O3H13C17 |
AB3C3D13E17 |
-21.82 |
2.41 |
-9.28 |
-1.03 |
0 |
|
|
145634 |
53561656 |
1 |
ON4C21H24 |
AB4C21D24 |
30.22 |
6.51 |
-8.41 |
-0.15 |
0 |
|
|
145635 |
53562827 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-26.55 |
3.16 |
-8.73 |
-0.21 |
0 |
|
|
145636 |
53562828 |
1 |
BrO2N3H10C15 |
AB2C3D10E15 |
-2.6 |
1.25 |
-8.88 |
-1.38 |
0 |
|
|
145637 |
53562948 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-113.54 |
3.67 |
-9.31 |
-0.57 |
0 |
|
|
145638 |
53563185 |
1 |
SN2O3C16H20 |
AB2C3D16E20 |
-108.62 |
1.02 |
-9.29 |
-0.45 |
0 |
|
|
145639 |
53563327 |
1 |
ON6C18H30 |
AB6C18D30 |
-41.13 |
3.84 |
-8.75 |
0.31 |
0 |
|
|
145640 |
53563328 |
1 |
ON5C20H23 |
AB5C20D23 |
58.16 |
3.96 |
-9.24 |
-1.59 |
0 |
|
|
145641 |
53563500 |
1 |
OSN5C15H15 |
ABC5D15E15 |
72.25 |
3.54 |
-8.89 |
-1.6 |
0 |
|
|
145642 |
53563504 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-221.08 |
2.67 |
-8.68 |
0.17 |
0 |
|
|
145643 |
53563533 |
1 |
FSO3N4C14H17 |
ABC3D4E14F17 |
-126.87 |
8.75 |
-9.12 |
-0.26 |
0 |
|
|
145644 |
53563618 |
1 |
SN4O6C22H24 |
AB4C6D22E24 |
-189.18 |
6.34 |
-8.91 |
-1.42 |
0 |
|
|
145645 |
53563624 |
1 |
N2F3O3C16H19 |
A2B3C3D16E19 |
-270.9 |
7.29 |
-9.28 |
-0.89 |
0 |
|
|
145646 |
53563625 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-49.52 |
3.0 |
-8.44 |
-0.3 |
0 |
|
|
145647 |
53563771 |
1 |
N3O3H15C19 |
A3B3C15D19 |
-6.55 |
2.46 |
-9.35 |
-1.23 |
0 |
|
|
145648 |
53563863 |
1 |
SN2O3C15H26 |
AB2C3D15E26 |
-144.35 |
7.14 |
-9.47 |
0.12 |
0 |
|
|
145649 |
53564793 |
1 |
ON5C16H17 |
AB5C16D17 |
64.65 |
7.99 |
-9.22 |
-0.8 |
0 |
|
|
145650 |
53564794 |
1 |
SCl2N2O3C12H16 |
AB2C2D3E12F16 |
-133.6 |
3.29 |
-9.61 |
-0.62 |
0 |
|
|
145651 |
53564795 |
1 |
ClON6C15H21 |
ABC6D15E21 |
17.54 |
10.09 |
-9.62 |
-0.34 |
0 |
|
|
145652 |
53565060 |
1 |
N2S2O3C15H20 |
A2B2C3D15E20 |
-88.6 |
5.72 |
-8.93 |
-0.8 |
0 |
|
|
145653 |
53565171 |
1 |
ON6H14C15 |
AB6C14D15 |
76.23 |
2.24 |
-9.74 |
-1.57 |
0 |
|
|
145654 |
53565452 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-67.17 |
4.28 |
-8.48 |
0.05 |
0 |
|
|
145655 |
53565453 |
1 |
OS2N5C15H15 |
AB2C5D15E15 |
63.85 |
3.35 |
-9.13 |
-1.3 |
0 |
|
|
145656 |
53565454 |
1 |
ON5C17H19 |
AB5C17D19 |
56.07 |
8.94 |
-9.28 |
-0.77 |
0 |
|
|
145657 |
53565727 |
1 |
ON3C18H27 |
AB3C18D27 |
3.02 |
2.43 |
-9.13 |
0.67 |
0 |
|
|
145658 |
53565728 |
1 |
ON4C16H18 |
AB4C16D18 |
21.27 |
4.0 |
-9.3 |
0.15 |
0 |
|
|
145659 |
53565729 |
1 |
O2N5C16H17 |
A2B5C16D17 |
17.68 |
7.8 |
-9.65 |
-0.89 |
0 |
|
|
145660 |
53566039 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-57.58 |
1.09 |
-9.08 |
-0.8 |
0 |
|
|
145661 |
53566199 |
1 |
O2N5C18H19 |
A2B5C18D19 |
-4.44 |
3.84 |
-9.28 |
-0.79 |
0 |
|
|
145662 |
53567506 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-74.43 |
4.46 |
-8.2 |
0.11 |
0 |
|
|
145663 |
53567887 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-136.65 |
2.31 |
-8.86 |
-0.04 |
0 |