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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
371492 |
127346586 |
1 |
SN2O3C11H16 |
AB2C3D11E16 |
-118.41 |
7.17 |
-9.44 |
0.37 |
0 |
|
|
371493 |
127346612 |
1 |
ON4C19H24 |
AB4C19D24 |
10.15 |
5.31 |
-7.89 |
-0.11 |
0 |
|
|
371494 |
127346613 |
1 |
ON6C22H28 |
AB6C22D28 |
33.9 |
7.17 |
-8.13 |
-0.44 |
0 |
|
|
371495 |
127346614 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-95.33 |
2.96 |
-7.98 |
0.11 |
0 |
|
|
371496 |
127346615 |
1 |
SN2O3C20H22 |
AB2C3D20E22 |
-84.97 |
2.73 |
-9.1 |
-0.95 |
0 |
|
|
371497 |
127346616 |
1 |
ON2C16H20 |
AB2C16D20 |
0.48 |
5.0 |
-8.42 |
0.23 |
0 |
|
|
371498 |
127346617 |
1 |
N2O4H22C23 |
A2B4C22D23 |
-89.1 |
3.27 |
-8.44 |
-0.16 |
0 |
|
|
371499 |
127346657 |
1 |
OSN5C18H23 |
ABC5D18E23 |
27.14 |
4.73 |
-9.01 |
-1.53 |
0 |
|
|
371500 |
127346658 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-66.41 |
3.01 |
-9.02 |
-0.68 |
0 |
|
|
371501 |
127346659 |
1 |
OSN6C15H20 |
ABC6D15E20 |
44.24 |
4.1 |
-9.07 |
-1.52 |
0 |
|
|
371502 |
127346718 |
1 |
ON5C22H33 |
AB5C22D33 |
-11.73 |
5.82 |
-9.03 |
-0.56 |
0 |
|
|
371503 |
127346719 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-68.84 |
4.02 |
-8.95 |
-0.65 |
0 |
|
|
371504 |
127346720 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-97.27 |
2.01 |
-8.97 |
-0.13 |
0 |
|
|
371505 |
127346721 |
1 |
ClSN3O3C18H26 |
ABC3D3E18F26 |
-115.28 |
9.97 |
-9.2 |
-0.54 |
0 |
|
|
371506 |
127346730 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-16.74 |
7.87 |
-9.01 |
-1.39 |
0 |
|
|
371507 |
127346731 |
1 |
SO2N4C19H26 |
AB2C4D19E26 |
-66.9 |
5.69 |
-8.8 |
-1.01 |
0 |
|
|
371508 |
127346732 |
1 |
ClON4C19H23 |
ABC4D19E23 |
7.73 |
4.74 |
-9.02 |
-0.68 |
0 |
|
|
371509 |
127346736 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-130.05 |
8.33 |
-8.86 |
-0.28 |
0 |
|
|
371510 |
127346737 |
1 |
O2N3C19H33 |
A2B3C19D33 |
-125.94 |
6.23 |
-9.05 |
1.19 |
0 |
|
|
371511 |
127346738 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-54.84 |
4.76 |
-9.03 |
0.38 |
0 |
|
|
371512 |
127346747 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-86.0 |
9.09 |
-8.8 |
-0.03 |
0 |
|
|
371513 |
127346752 |
1 |
OS2N5C18H25 |
AB2C5D18E25 |
25.97 |
1.54 |
-8.7 |
-0.94 |
0 |
|
|
371514 |
127346753 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-83.73 |
1.41 |
-8.89 |
0.07 |
0 |
|
|
371515 |
127346754 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-80.22 |
5.78 |
-8.96 |
-1.0 |
0 |
|
|
371516 |
127346755 |
1 |
ON4C17H22 |
AB4C17D22 |
4.36 |
4.76 |
-8.8 |
-0.61 |
0 |
|
|
371517 |
127346756 |
1 |
ON5C20H27 |
AB5C20D27 |
17.96 |
4.52 |
-8.85 |
-0.55 |
0 |
|
|
371518 |
127346767 |
1 |
FO2N3C21H30 |
AB2C3D21E30 |
-135.69 |
0.9 |
-8.86 |
-0.67 |
0 |
|
|
371519 |
127346768 |
1 |
SN2O5C19H28 |
AB2C5D19E28 |
-209.1 |
6.13 |
-8.43 |
-0.11 |
0 |
|
|
371520 |
127346769 |
1 |
SN2O3C19H26 |
AB2C3D19E26 |
-108.21 |
3.45 |
-9.41 |
0.09 |
0 |
|
|
371521 |
127346788 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-54.29 |
10.1 |
-9.46 |
0.13 |
0 |
|
|
371522 |
127346789 |
1 |
O2N3H15C16 |
A2B3C15D16 |
-6.28 |
1.48 |
-9.54 |
-0.9 |
0 |
|
|
371523 |
127346797 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-77.05 |
5.14 |
-9.68 |
-0.85 |
0 |
|
|
371524 |
127346803 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-126.74 |
4.86 |
-9.87 |
0.59 |
0 |
|
|
371525 |
127346804 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-169.15 |
5.23 |
-8.72 |
0.76 |
0 |
|
|
371526 |
127346805 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-175.01 |
5.68 |
-9.12 |
-0.4 |
0 |
|
|
371527 |
127346811 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-171.0 |
8.04 |
-8.88 |
-0.17 |
0 |
|
|
371528 |
127346812 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-182.65 |
5.23 |
-9.09 |
-0.33 |
0 |
|
|
371529 |
127346813 |
1 |
FSN2O4C17H23 |
ABC2D4E17F23 |
-209.66 |
6.39 |
-8.51 |
-0.43 |
0 |
|
|
371530 |
127346814 |
1 |
FN3O3C21H28 |
AB3C3D21E28 |
-176.58 |
2.81 |
-8.13 |
-0.17 |
0 |
|
|
371531 |
127346815 |
1 |
FN2O3C21H27 |
AB2C3D21E27 |
-171.46 |
6.07 |
-8.03 |
0.05 |
0 |
|
|
371532 |
127346816 |
1 |
O2F3N4C13H15 |
A2B3C4D13E15 |
-183.5 |
5.8 |
-10.42 |
-0.76 |
0 |
|
|
371533 |
127346820 |
1 |
O2N5F6C13H13 |
A2B5C6D13E13 |
-354.3 |
5.53 |
-10.58 |
-0.77 |
0 |
|
|
371534 |
127346822 |
1 |
OF3N8H13C14 |
AB3C8D13E14 |
-61.56 |
7.6 |
-10.26 |
-1.42 |
0 |
|
|
371535 |
127346823 |
1 |
O2F3N6H15C17 |
A2B3C6D15E17 |
-134.9 |
6.32 |
-9.16 |
-0.97 |
0 |
|
|
371536 |
127346874 |
1 |
NO2S2C11H19 |
AB2C2D11E19 |
-90.31 |
2.49 |
-8.55 |
0.49 |
0 |
|
|
371537 |
127346875 |
1 |
NSO2C12H21 |
ABC2D12E21 |
-98.49 |
4.27 |
-8.49 |
0.66 |
0 |
|
|
371538 |
127346882 |
1 |
NO2S2C14H19 |
AB2C2D14E19 |
-66.01 |
5.35 |
-8.46 |
-0.49 |
0 |
|
|
371539 |
127346883 |
1 |
NO2S2C10H13 |
AB2C2D10E13 |
-42.82 |
3.96 |
-8.56 |
-0.64 |
0 |
|
|
371540 |
127346988 |
1 |
SN2O3C17H28 |
AB2C3D17E28 |
-168.61 |
6.48 |
-9.76 |
0.78 |
0 |
|
|
371541 |
127346989 |
1 |
SO2N4C15H20 |
AB2C4D15E20 |
-19.04 |
8.83 |
-9.52 |
-0.52 |
0 |
|
|
371542 |
127347010 |
1 |
SN2O3C14H24 |
AB2C3D14E24 |
-111.5 |
5.47 |
-9.8 |
0.76 |
0 |
|
|
371543 |
127347011 |
1 |
S2N3O3C17H21 |
A2B3C3D17E21 |
-76.93 |
4.49 |
-8.7 |
-0.77 |
0 |
|
|
371544 |
127347073 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-97.9 |
5.41 |
-8.39 |
0.02 |
0 |
|
|
371545 |
127347086 |
1 |
SN3O3C17H31 |
AB3C3D17E31 |
-149.21 |
5.91 |
-9.0 |
0.64 |
0 |
|
|
371546 |
127347087 |
2 |
ON2C10H12 |
AB2C10D12 |
-10.91 |
8.33 |
-8.96 |
-0.9 |
0 |
|
|
371547 |
127347088 |
2 |
ON2C11H18 |
AB2C11D18 |
-133.17 |
4.19 |
-8.99 |
0.41 |
0 |
|
|
371548 |
127347096 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-44.75 |
9.55 |
-9.08 |
-0.56 |
0 |
|
|
371549 |
127347097 |
1 |
ON5C19H33 |
AB5C19D33 |
-37.18 |
7.84 |
-8.49 |
0.57 |
0 |
|
|
371550 |
127347109 |
1 |
O2N4C23H32 |
A2B4C23D32 |
-67.69 |
3.84 |
-8.42 |
-0.15 |
0 |
|
|
371551 |
127347110 |
1 |
ON5C18H31 |
AB5C18D31 |
-30.27 |
3.75 |
-8.33 |
0.9 |
0 |
|
|
371552 |
127347111 |
1 |
O2N4C19H34 |
A2B4C19D34 |
-129.64 |
4.41 |
-8.98 |
0.39 |
0 |
|
|
371553 |
127347117 |
1 |
N2O3H18C19 |
A2B3C18D19 |
-39.73 |
4.14 |
-8.35 |
-0.07 |
0 |
|
|
371554 |
127347118 |
1 |
O2N5C21H23 |
A2B5C21D23 |
28.64 |
9.23 |
-8.98 |
-0.46 |
0 |
|
|
371555 |
127347142 |
1 |
OF3N5C11H14 |
AB3C5D11E14 |
-145.66 |
8.85 |
-9.88 |
-0.45 |
0 |
|
|
371556 |
127347143 |
1 |
OF4N5C18H19 |
AB4C5D18E19 |
-173.78 |
10.02 |
-9.38 |
-0.4 |
0 |
|
|
371557 |
127347167 |
1 |
SN2O2C13H24 |
AB2C2D13E24 |
-96.32 |
3.56 |
-8.4 |
0.8 |
0 |
|
|
371558 |
127347168 |
1 |
OSN3C12H21 |
ABC3D12E21 |
-8.06 |
6.02 |
-8.19 |
0.96 |
0 |
|
|
371559 |
127347170 |
1 |
NSO4C17H27 |
ABC4D17E27 |
-175.18 |
4.17 |
-9.7 |
0.41 |
0 |
|
|
371560 |
127347171 |
1 |
NSO3C18H27 |
ABC3D18E27 |
-116.25 |
5.3 |
-8.94 |
0.11 |
0 |
|
|
371561 |
127347180 |
1 |
SO2N6C12H16 |
AB2C6D12E16 |
7.84 |
5.51 |
-8.91 |
-0.37 |
0 |
|
|
371562 |
127347181 |
1 |
Cl2O2S2N4C13H14 |
A2B2C2D4E13F14 |
7.85 |
4.84 |
-8.6 |
-1.27 |
0 |
|
|
371563 |
127347182 |
1 |
SO2N6C16H18 |
AB2C6D16E18 |
26.4 |
3.27 |
-8.77 |
-0.79 |
0 |
|
|
371564 |
127347184 |
1 |
SO3N4C17H20 |
AB3C4D17E20 |
-35.85 |
2.8 |
-8.76 |
-0.78 |
0 |
|
|
371565 |
127347185 |
1 |
SO3N4C14H22 |
AB3C4D14E22 |
-75.89 |
3.94 |
-8.71 |
-0.06 |
0 |
|
|
371566 |
127347186 |
1 |
SO2N5C16H27 |
AB2C5D16E27 |
-41.27 |
5.9 |
-8.75 |
-0.28 |
0 |
|
|
371567 |
127347188 |
1 |
SO3N4C15H24 |
AB3C4D15E24 |
-83.13 |
3.49 |
-8.77 |
-0.3 |
0 |
|
|
371568 |
127347189 |
1 |
FSO2N4C16H19 |
ABC2D4E16F19 |
-49.85 |
2.96 |
-8.66 |
-0.14 |
0 |
|
|
371569 |
127347190 |
1 |
SO2N5C16H27 |
AB2C5D16E27 |
-17.66 |
2.78 |
-8.77 |
-0.3 |
0 |
|
|
371570 |
127347191 |
1 |
SO2N5C15H25 |
AB2C5D15E25 |
-39.14 |
5.71 |
-8.72 |
-0.26 |
0 |
|
|
371571 |
127347193 |
1 |
SO2N5C18H23 |
AB2C5D18E23 |
0.14 |
2.55 |
-8.76 |
-0.19 |
0 |
|
|
371572 |
127347201 |
1 |
N2S2O5C10H16 |
A2B2C5D10E16 |
-164.56 |
6.88 |
-10.43 |
-0.42 |
0 |
|
|
371573 |
127347202 |
1 |
ClSN2O2C9H11 |
ABC2D2E9F11 |
-61.93 |
1.99 |
-9.53 |
-0.24 |
0 |
|
|
371574 |
127347211 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-69.65 |
7.47 |
-9.12 |
0.1 |
0 |
|
|
371575 |
127347213 |
1 |
SN2O2C10H22 |
AB2C2D10E22 |
-107.39 |
3.78 |
-9.47 |
0.24 |
0 |
|
|
371576 |
129984304 |
1 |
BO4C15H21 |
AB4C15D21 |
-236.41 |
4.98 |
-9.01 |
-0.12 |
0 |
|
|
371577 |
131269059 |
1 |
NF3H8C9 |
AB3C8D9 |
-121.01 |
5.41 |
-8.73 |
-0.28 |
0 |
|
|
371578 |
131269060 |
1 |
NOF3C10H10 |
ABC3D10E10 |
-188.37 |
3.65 |
-8.59 |
-0.11 |
0 |
|
|
371579 |
131269061 |
1 |
NOF3C10H10 |
ABC3D10E10 |
-186.72 |
4.23 |
-8.56 |
-0.29 |
0 |
|
|
371580 |
131269062 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-109.81 |
5.76 |
-9.2 |
-0.39 |
0 |
|
|
371581 |
131269063 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-109.34 |
5.31 |
-9.32 |
-0.79 |
0 |
|
|
371582 |
131269064 |
1 |
NO2C12H15 |
AB2C12D15 |
-53.38 |
2.11 |
-8.87 |
-0.25 |
0 |
|
|
371583 |
131269066 |
1 |
NO2C12H15 |
AB2C12D15 |
-55.05 |
2.07 |
-9.0 |
-0.28 |
0 |
|
|
371584 |
131269067 |
1 |
NO2C13H19 |
AB2C13D19 |
-86.39 |
2.42 |
-8.87 |
0.07 |
0 |
|
|
371585 |
131269068 |
1 |
NO2C13H19 |
AB2C13D19 |
-84.96 |
2.28 |
-8.89 |
0.06 |
0 |
|
|
371586 |
131269069 |
1 |
NO2C13H19 |
AB2C13D19 |
-88.38 |
2.25 |
-8.94 |
0.1 |
0 |
|
|
371587 |
131269070 |
1 |
ClON2C12H13 |
ABC2D12E13 |
14.58 |
6.53 |
-9.64 |
-2.05 |
0 |
|
|
371588 |
131269071 |
1 |
Br2F3C11H11 |
A2B3C11D11 |
-158.53 |
3.86 |
-10.12 |
-1.2 |
0 |
|
|
371589 |
131269072 |
1 |
BrClF3C11H11 |
ABC3D11E11 |
-169.67 |
4.72 |
-10.08 |
-1.1 |
0 |
|
|
371590 |
131269073 |
1 |
BrClF3C11H11 |
ABC3D11E11 |
-168.98 |
2.73 |
-10.13 |
-1.09 |
0 |
|
|
371591 |
131269074 |
1 |
BrClF3C11H11 |
ABC3D11E11 |
-166.76 |
2.95 |
-10.04 |
-1.07 |
0 |