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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
306986 |
125264567 |
2 |
OSN3C6H7 |
ABC3D6E7 |
42.97 |
8.45 |
-8.16 |
-1.92 |
0 |
|
|
306987 |
125264570 |
1 |
SO3N4H30C31 |
AB3C4D30E31 |
-18.18 |
2.94 |
-9.01 |
-1.77 |
0 |
|
|
306988 |
125264573 |
1 |
O2N8C19H20 |
A2B8C19D20 |
69.58 |
6.81 |
-8.16 |
-0.75 |
0 |
|
|
306989 |
125264574 |
1 |
O2N8C19H20 |
A2B8C19D20 |
73.31 |
5.75 |
-8.16 |
-1.07 |
0 |
|
|
306990 |
125264577 |
1 |
N3O3C12H13 |
A3B3C12D13 |
-44.32 |
4.56 |
-8.21 |
-1.1 |
0 |
|
|
306991 |
125264580 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-23.39 |
0.96 |
-9.55 |
-2.08 |
0 |
|
|
306992 |
125264587 |
1 |
ClFN3H5C7 |
ABC3D5E7 |
18.83 |
7.22 |
-8.78 |
-1.25 |
0 |
|
|
306993 |
125264589 |
1 |
SN4O4C21H22 |
AB4C4D21E22 |
-46.26 |
1.47 |
-8.46 |
-1.96 |
0 |
|
|
306994 |
125264592 |
1 |
N2C13H18 |
A2B13C18 |
49.18 |
2.69 |
-8.53 |
-0.68 |
0 |
|
|
306995 |
125264596 |
1 |
OSN5C17H27 |
ABC5D17E27 |
11.09 |
4.69 |
-8.89 |
-0.22 |
0 |
|
|
306996 |
125264597 |
2 |
ON2C9H13 |
AB2C9D13 |
-28.36 |
3.57 |
-9.11 |
-0.08 |
0 |
|
|
306997 |
125264598 |
2 |
ON2C9H13 |
AB2C9D13 |
-30.73 |
5.5 |
-9.07 |
0.04 |
0 |
|
|
306998 |
125264601 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-18.02 |
3.21 |
-8.93 |
-0.04 |
0 |
|
|
306999 |
125264603 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-54.79 |
4.32 |
-9.08 |
-0.23 |
0 |
|
|
307000 |
125264604 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-53.74 |
4.32 |
-9.05 |
-0.26 |
0 |
|
|
307001 |
125264605 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-58.59 |
4.67 |
-9.04 |
-0.3 |
0 |
|
|
307002 |
125264608 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-7.55 |
6.15 |
-9.32 |
-0.09 |
0 |
|
|
307003 |
125264611 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-13.3 |
4.13 |
-8.82 |
-0.31 |
0 |
|
|
307004 |
125264625 |
2 |
ON2C9H12 |
AB2C9D12 |
3.73 |
5.47 |
-8.97 |
-0.37 |
0 |
|
|
307005 |
125264626 |
2 |
ON2C9H12 |
AB2C9D12 |
-1.76 |
3.65 |
-9.04 |
-0.49 |
0 |
|
|
307006 |
125264628 |
2 |
ON2C7H10 |
AB2C7D10 |
-47.16 |
3.38 |
-8.41 |
0.69 |
0 |
|
|
307007 |
125264629 |
2 |
ON2C7H10 |
AB2C7D10 |
-23.01 |
2.81 |
-8.49 |
0.49 |
0 |
|
|
307008 |
125264631 |
2 |
ON2C7H10 |
AB2C7D10 |
-25.64 |
3.76 |
-8.35 |
0.64 |
0 |
|
|
307009 |
125264633 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-109.18 |
1.65 |
-8.91 |
0.2 |
0 |
|
|
307010 |
125264644 |
1 |
ON6C17H26 |
AB6C17D26 |
56.44 |
6.53 |
-9.08 |
0.2 |
0 |
|
|
307011 |
125264650 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-99.58 |
4.29 |
-8.77 |
0.62 |
0 |
|
|
307012 |
125264653 |
1 |
SN2O4C15H24 |
AB2C4D15E24 |
-141.28 |
6.45 |
-9.03 |
0.35 |
0 |
|
|
307013 |
125264655 |
1 |
SN2O4C15H24 |
AB2C4D15E24 |
-134.06 |
4.05 |
-8.85 |
0.39 |
0 |
|
|
307014 |
125264658 |
1 |
SN3O3C13H17 |
AB3C3D13E17 |
-82.49 |
6.75 |
-8.94 |
-0.46 |
0 |
|
|
307016 |
125264661 |
2 |
NOC8H10 |
ABC8D10 |
-66.15 |
1.14 |
-8.94 |
0.02 |
0 |
|
|
307017 |
125264663 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-57.82 |
5.17 |
-9.73 |
-1.05 |
0 |
|
|
307018 |
125264665 |
1 |
ON4C20H20 |
AB4C20D20 |
44.45 |
3.93 |
-9.58 |
-0.68 |
0 |
|
|
307019 |
125264667 |
1 |
ON4C20H20 |
AB4C20D20 |
43.64 |
5.27 |
-9.59 |
-0.78 |
0 |
|
|
307020 |
125264673 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-44.26 |
6.15 |
-9.86 |
-0.85 |
0 |
|
|
307021 |
125264674 |
1 |
N2O3C19H32 |
A2B3C19D32 |
-129.55 |
4.3 |
-8.67 |
1.16 |
0 |
|
|
307022 |
125264677 |
1 |
N2O3C19H32 |
A2B3C19D32 |
-136.38 |
4.41 |
-8.68 |
1.03 |
0 |
|
|
307023 |
125264679 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-57.47 |
3.01 |
-8.41 |
-0.26 |
0 |
|
|
307025 |
125264681 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-54.26 |
2.09 |
-8.3 |
-0.27 |
0 |
|
|
307026 |
125264684 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-51.51 |
3.48 |
-8.61 |
0.41 |
0 |
|
|
307027 |
125264691 |
1 |
S2N3O4C12H17 |
A2B3C4D12E17 |
-121.26 |
5.06 |
-9.52 |
-1.03 |
0 |
|
|
307028 |
125264694 |
1 |
N2O4C17H26 |
A2B4C17D26 |
-141.58 |
4.61 |
-8.86 |
0.11 |
0 |
|
|
307029 |
125264697 |
2 |
NSO2C7H10 |
ABC2D7E10 |
-143.57 |
3.4 |
-9.09 |
-0.33 |
0 |
|
|
307030 |
125264701 |
2 |
NSO2C7H10 |
ABC2D7E10 |
-142.51 |
3.06 |
-9.35 |
-0.36 |
0 |
|
|
307031 |
125264702 |
2 |
O4C15H24 |
A4B15C24 |
-365.86 |
4.28 |
-9.5 |
0.29 |
0 |
|
|
307032 |
125264704 |
2 |
O4C15H24 |
A4B15C24 |
-367.74 |
4.33 |
-9.26 |
-0.09 |
0 |
|
|
307033 |
125264705 |
2 |
O4C15H24 |
A4B15C24 |
-370.23 |
4.88 |
-9.58 |
0.18 |
0 |
|
|
307034 |
125264706 |
1 |
FS2O3N7H18C19 |
AB2C3D7E18F19 |
-65.09 |
3.95 |
-9.25 |
-1.2 |
0 |
|
|
307035 |
125264710 |
1 |
NO3C26H29 |
AB3C26D29 |
-49.5 |
3.96 |
-8.36 |
0.15 |
0 |
|
|
307036 |
125264720 |
1 |
SO4N5C21H29 |
AB4C5D21E29 |
-132.56 |
11.4 |
-8.71 |
-0.75 |
0 |
|
|
307037 |
125264723 |
1 |
N2O4C25H34 |
A2B4C25D34 |
-182.6 |
3.94 |
-9.42 |
-0.47 |
0 |
|
|
307038 |
125264727 |
1 |
SO4N6C16H20 |
AB4C6D16E20 |
-72.57 |
5.77 |
-8.99 |
-1.59 |
0 |
|
|
307039 |
125264728 |
1 |
ClN2O2C11H13 |
AB2C2D11E13 |
-20.53 |
5.81 |
-9.61 |
-1.37 |
0 |
|
|
307040 |
125264733 |
3 |
NOC6H9 |
ABC6D9 |
-114.92 |
2.97 |
-9.31 |
-0.17 |
0 |
|
|
307041 |
125264736 |
1 |
OSN4C18H24 |
ABC4D18E24 |
20.66 |
5.32 |
-9.12 |
-0.55 |
0 |
|
|
307042 |
125264761 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-71.55 |
3.66 |
-8.89 |
-0.42 |
0 |
|
|
307043 |
125264762 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-65.2 |
2.93 |
-8.99 |
-0.26 |
0 |
|
|
307044 |
125264769 |
1 |
FN2O3C18H25 |
AB2C3D18E25 |
-173.22 |
2.79 |
-9.55 |
-0.3 |
0 |
|
|
307045 |
125264770 |
1 |
FN2O3C18H25 |
AB2C3D18E25 |
-165.74 |
3.05 |
-9.58 |
-0.33 |
0 |
|
|
307046 |
125264783 |
1 |
FON4C17H17 |
ABC4D17E17 |
-14.02 |
2.72 |
-9.02 |
-0.65 |
0 |
|
|
307047 |
125264784 |
1 |
FON4C17H17 |
ABC4D17E17 |
-12.34 |
3.0 |
-8.93 |
-0.52 |
0 |
|
|
307048 |
125264795 |
2 |
ON3C8H11 |
AB3C8D11 |
23.35 |
2.35 |
-9.37 |
-0.3 |
0 |
|
|
307049 |
125264796 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-88.64 |
5.4 |
-8.29 |
-0.07 |
0 |
|
|
307050 |
125264802 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-97.46 |
3.07 |
-9.41 |
-0.3 |
0 |
|
|
307051 |
125264803 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-95.6 |
5.09 |
-9.51 |
-0.39 |
0 |
|
|
307052 |
125264805 |
1 |
ON4C16H26 |
AB4C16D26 |
-1.3 |
2.25 |
-8.48 |
-0.56 |
0 |
|
|
307053 |
125264806 |
1 |
ON4C16H26 |
AB4C16D26 |
0.61 |
2.33 |
-8.54 |
-0.49 |
0 |
|
|
307054 |
125264807 |
1 |
ON4C16H26 |
AB4C16D26 |
0.69 |
4.31 |
-8.46 |
-0.48 |
0 |
|
|
307058 |
125267419 |
2 |
NO2H11C13 |
AB2C11D13 |
-38.14 |
3.44 |
-8.82 |
-1.32 |
0 |
|
|
307059 |
125267421 |
1 |
FON5C19H22 |
ABC5D19E22 |
2.21 |
12.04 |
-8.07 |
-1.11 |
0 |
|
|
307060 |
125267423 |
1 |
ClOSN4H13C14 |
ABCD4E13F14 |
50.94 |
4.32 |
-8.67 |
-1.37 |
0 |
|
|
307061 |
125267427 |
1 |
ClN4O4H25C30 |
AB4C4D25E30 |
-52.21 |
4.45 |
-8.76 |
-0.98 |
0 |
|
|
307062 |
125267435 |
2 |
ON2C5H5 |
AB2C5D5 |
23.96 |
3.96 |
-9.13 |
-1.3 |
0 |
|
|
307063 |
125267436 |
1 |
BrNOC12H12 |
ABCD12E12 |
21.34 |
2.19 |
-9.47 |
-1.74 |
0 |
|
|
307064 |
125267439 |
1 |
BrNOC12H12 |
ABCD12E12 |
21.37 |
2.38 |
-9.47 |
-1.73 |
0 |
|
|
307065 |
125267440 |
1 |
ClON6C19H19 |
ABC6D19E19 |
93.65 |
4.66 |
-8.9 |
-0.96 |
0 |
|
|
307068 |
125267455 |
1 |
IO3C26H33 |
AB3C26D33 |
-126.55 |
3.24 |
-9.65 |
-1.12 |
0 |
|
|
307072 |
125267465 |
1 |
BrON5C15H18 |
ABC5D15E18 |
142.05 |
9.72 |
-9.04 |
-1.62 |
0 |
|
|
307073 |
125267469 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-4.27 |
4.88 |
-8.54 |
-1.16 |
0 |
|
|
307074 |
125267474 |
1 |
FOSN2H11C12 |
ABCD2E11F12 |
-33.0 |
4.36 |
-9.37 |
-1.29 |
0 |
|
|
307076 |
125267501 |
1 |
N2O3H16C21 |
A2B3C16D21 |
-26.63 |
4.76 |
-8.59 |
-1.0 |
0 |
|
|
307077 |
125267507 |
1 |
SN3O4H19C20 |
AB3C4D19E20 |
-69.5 |
4.98 |
-8.81 |
-1.52 |
0 |
|
|
307078 |
125267508 |
1 |
N3O4H15C16 |
A3B4C15D16 |
-82.89 |
5.52 |
-8.84 |
-1.19 |
0 |
|
|
307079 |
125267515 |
1 |
ClN2O3H23C25 |
AB2C3D23E25 |
-28.45 |
6.09 |
-8.59 |
-1.48 |
0 |
|
|
307080 |
125267517 |
1 |
ClN2O3H23C25 |
AB2C3D23E25 |
-28.25 |
5.76 |
-8.59 |
-1.49 |
0 |
|
|
307082 |
125267521 |
1 |
O4N5C13H21 |
A4B5C13D21 |
-146.47 |
5.97 |
-8.84 |
-1.5 |
0 |
|
|
307085 |
125267532 |
1 |
ON2C10H10 |
AB2C10D10 |
21.74 |
8.35 |
-9.26 |
-1.47 |
0 |
|
|
307091 |
125267550 |
1 |
N4O4H26C31 |
A4B4C26D31 |
-70.56 |
5.52 |
-9.25 |
-1.21 |
0 |
|
|
307092 |
125267553 |
1 |
ClN3O3H14C18 |
AB3C3D14E18 |
-15.85 |
7.63 |
-9.31 |
-2.04 |
0 |
|
|
307093 |
125267555 |
1 |
FON4C16H19 |
ABC4D16E19 |
-3.2 |
4.15 |
-9.0 |
-1.68 |
0 |
|
|
307094 |
125267556 |
1 |
ON4C12H14 |
AB4C12D14 |
18.53 |
5.87 |
-9.84 |
-0.95 |
0 |
|
|
307095 |
125267557 |
1 |
SO4N6C24H28 |
AB4C6D24E28 |
-36.24 |
3.29 |
-9.57 |
-1.7 |
0 |
|
|
307096 |
125267558 |
1 |
O2N4H12C13 |
A2B4C12D13 |
83.44 |
9.37 |
-8.99 |
-1.51 |
0 |
|
|
307097 |
125267563 |
1 |
FOSN4H21C23 |
ABCD4E21F23 |
29.08 |
2.67 |
-8.59 |
-1.15 |
0 |
|
|
307098 |
125267565 |
1 |
FN3O3H22C23 |
AB3C3D22E23 |
-55.32 |
3.72 |
-9.07 |
-1.44 |
0 |
|
|
307099 |
125267567 |
1 |
FN3O3H22C23 |
AB3C3D22E23 |
-52.69 |
4.94 |
-9.08 |
-1.44 |
0 |
|
|
307100 |
125267582 |
1 |
ClO2N4H13C15 |
AB2C4D13E15 |
47.59 |
2.62 |
-8.99 |
-1.16 |
0 |
|
|
307101 |
125267585 |
1 |
OF3N5C15H16 |
AB3C5D15E16 |
-119.06 |
3.64 |
-8.43 |
-0.82 |
0 |
|
|
307102 |
125267586 |
1 |
O2N4S4C17H18 |
A2B4C4D17E18 |
35.55 |
2.41 |
-9.07 |
-1.91 |
0 |
|
|
307103 |
125267587 |
1 |
SO3N4C19H22 |
AB3C4D19E22 |
-108.51 |
2.55 |
-8.05 |
-0.85 |
0 |
|
|
307104 |
125267588 |
1 |
SO3N4C19H22 |
AB3C4D19E22 |
-108.22 |
3.95 |
-8.03 |
-0.85 |
0 |