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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
131007 |
51143659 |
1 |
NF2O5C19H19 |
AB2C5D19E19 |
-246.96 |
2.86 |
-8.9 |
-0.5 |
0 |
|
|
131008 |
51144054 |
2 |
OSN2C8H8 |
ABC2D8E8 |
26.74 |
2.4 |
-8.77 |
-1.1 |
0 |
|
|
131009 |
51144055 |
1 |
SO2N5H15C19 |
AB2C5D15E19 |
69.23 |
4.06 |
-8.86 |
-1.22 |
0 |
|
|
131010 |
51144341 |
1 |
FN3O3H18C19 |
AB3C3D18E19 |
-129.9 |
4.25 |
-8.85 |
-0.41 |
0 |
|
|
131011 |
51144342 |
1 |
FN3O3C20H20 |
AB3C3D20E20 |
-140.19 |
5.03 |
-8.91 |
-0.35 |
0 |
|
|
131012 |
51144871 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-119.13 |
4.74 |
-9.41 |
-0.7 |
0 |
|
|
131013 |
51145020 |
2 |
NO2C11H13 |
AB2C11D13 |
-98.08 |
3.68 |
-8.81 |
-0.22 |
0 |
|
|
131014 |
51145071 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-158.75 |
1.4 |
-9.02 |
0.15 |
0 |
|
|
131015 |
51145212 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-136.22 |
2.71 |
-8.41 |
-0.3 |
0 |
|
|
131016 |
51145324 |
1 |
ClN2O3C13H15 |
AB2C3D13E15 |
-76.58 |
3.12 |
-9.05 |
-0.2 |
0 |
|
|
131017 |
51145397 |
1 |
ClNF2O3H14C16 |
ABC2D3E14F16 |
-189.59 |
6.32 |
-9.26 |
-0.9 |
0 |
|
|
131018 |
51145749 |
1 |
Cl2N2O3C16H16 |
A2B2C3D16E16 |
-97.82 |
1.88 |
-9.76 |
-0.8 |
0 |
|
|
131019 |
51145750 |
1 |
Cl2N2O4H10C13 |
A2B2C4D10E13 |
-42.81 |
3.15 |
-9.91 |
-1.87 |
0 |
|
|
131020 |
51145877 |
1 |
ClO2N3C17H20 |
AB2C3D17E20 |
-35.52 |
2.56 |
-9.24 |
-0.42 |
0 |
|
|
131021 |
51146028 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-67.59 |
4.22 |
-8.56 |
-0.5 |
0 |
|
|
131022 |
51146063 |
1 |
NSO3C20H25 |
ABC3D20E25 |
-89.17 |
2.38 |
-8.36 |
-0.09 |
0 |
|
|
131023 |
51146447 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-112.79 |
5.28 |
-9.29 |
-0.26 |
0 |
|
|
131024 |
51146869 |
1 |
NO3C21H21 |
AB3C21D21 |
-53.4 |
4.01 |
-8.13 |
-0.77 |
0 |
|
|
131025 |
51147101 |
1 |
N3O4H17C20 |
A3B4C17D20 |
-109.75 |
10.09 |
-9.27 |
-1.25 |
0 |
|
|
131026 |
51147209 |
1 |
N2S2O3C16H24 |
A2B2C3D16E24 |
-99.67 |
6.56 |
-8.76 |
-1.17 |
0 |
|
|
131027 |
51147273 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-137.21 |
4.6 |
-8.14 |
-0.45 |
0 |
|
|
131028 |
51147274 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-175.9 |
5.25 |
-8.14 |
-0.37 |
0 |
|
|
131029 |
51147275 |
1 |
FN2O4C20H21 |
AB2C4D20E21 |
-171.42 |
1.72 |
-8.43 |
-0.61 |
0 |
|
|
131030 |
51147362 |
1 |
N2S2O3C12H18 |
A2B2C3D12E18 |
-102.05 |
6.86 |
-9.42 |
-0.92 |
0 |
|
|
131031 |
51147452 |
1 |
NSO5C20H21 |
ABC5D20E21 |
-154.85 |
3.49 |
-8.57 |
-0.68 |
0 |
|
|
131032 |
51147610 |
1 |
SN2O2C19H20 |
AB2C2D19E20 |
-36.61 |
2.34 |
-9.21 |
-0.83 |
0 |
|
|
131033 |
51148117 |
1 |
SN2O3C20H20 |
AB2C3D20E20 |
-50.26 |
4.68 |
-8.82 |
-0.76 |
0 |
|
|
131034 |
51148149 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-127.34 |
4.58 |
-8.61 |
-0.56 |
0 |
|
|
131035 |
51148150 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-157.46 |
2.85 |
-9.5 |
-0.6 |
0 |
|
|
131036 |
51148151 |
1 |
NO4C18H27 |
AB4C18D27 |
-169.43 |
2.34 |
-8.63 |
-0.25 |
0 |
|
|
131037 |
51148152 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-120.32 |
6.65 |
-8.94 |
-0.71 |
0 |
|
|
131038 |
51148153 |
1 |
SN2O3C21H30 |
AB2C3D21E30 |
-134.67 |
4.85 |
-8.99 |
-0.75 |
0 |
|
|
131039 |
51148569 |
1 |
ClSO2N4C18H23 |
ABC2D4E18F23 |
-56.5 |
8.5 |
-9.27 |
-0.96 |
0 |
|
|
131040 |
51148570 |
1 |
SO2N4C15H18 |
AB2C4D15E18 |
-39.75 |
8.92 |
-9.27 |
-0.95 |
0 |
|
|
131041 |
51148571 |
1 |
OS2N3C15H19 |
AB2C3D15E19 |
8.79 |
3.54 |
-8.46 |
-1.17 |
0 |
|
|
131042 |
51148665 |
1 |
OSN2C16H18 |
ABC2D16E18 |
-2.46 |
3.85 |
-8.99 |
-0.5 |
0 |
|
|
131043 |
51148723 |
1 |
ClN2O3C18H21 |
AB2C3D18E21 |
-86.38 |
7.43 |
-8.82 |
-0.54 |
0 |
|
|
131044 |
51148724 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-123.42 |
4.11 |
-9.96 |
-0.23 |
0 |
|
|
131045 |
51148725 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-127.66 |
4.11 |
-9.96 |
-0.23 |
0 |
|
|
131046 |
51148726 |
2 |
N2O2C10H11 |
A2B2C10D11 |
-118.97 |
4.32 |
-9.13 |
-0.37 |
0 |
|
|
131047 |
51148727 |
1 |
ClN2O3C18H21 |
AB2C3D18E21 |
-90.55 |
5.0 |
-8.79 |
-0.48 |
0 |
|
|
131048 |
51148728 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-48.47 |
0.96 |
-9.4 |
-0.4 |
0 |
|
|
131049 |
51148729 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
-48.57 |
8.89 |
-9.23 |
-0.52 |
0 |
|
|
131050 |
51148730 |
1 |
OSN2C15H18 |
ABC2D15E18 |
-10.75 |
5.14 |
-9.27 |
-0.66 |
0 |
|
|
131051 |
51148731 |
1 |
N2O3H18C19 |
A2B3C18D19 |
-31.55 |
4.6 |
-9.13 |
-0.71 |
0 |
|
|
131052 |
51148962 |
1 |
ClO2N3C20H30 |
AB2C3D20E30 |
-107.56 |
5.76 |
-8.51 |
-0.41 |
0 |
|
|
131053 |
51148963 |
1 |
N3O3C20H33 |
A3B3C20D33 |
-167.76 |
5.43 |
-8.41 |
-0.1 |
0 |
|
|
131054 |
51148964 |
1 |
ClSN2O4C15H21 |
ABC2D4E15F21 |
-121.11 |
1.98 |
-9.43 |
-1.13 |
0 |
|
|
131055 |
51148965 |
1 |
NO4C13H15 |
AB4C13D15 |
-84.49 |
4.08 |
-8.7 |
-0.9 |
0 |
|
|
131056 |
51149417 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-43.56 |
3.44 |
-8.64 |
-0.4 |
0 |
|
|
131057 |
51149418 |
1 |
SN2O4C20H22 |
AB2C4D20E22 |
-117.7 |
4.85 |
-8.34 |
-0.08 |
0 |
|
|
131058 |
51149419 |
1 |
FN2O2S2C18H19 |
AB2C2D2E18F19 |
-94.76 |
5.31 |
-8.54 |
-0.66 |
0 |
|
|
131059 |
51149427 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-83.76 |
5.53 |
-7.87 |
0.15 |
0 |
|
|
131060 |
51149703 |
1 |
ClSN2O3C15H23 |
ABC2D3E15F23 |
-136.9 |
2.02 |
-9.64 |
-0.95 |
0 |
|
|
131061 |
51149793 |
2 |
NOC12H16 |
ABC12D16 |
-102.06 |
6.8 |
-9.13 |
0.26 |
0 |
|
|
131062 |
51149794 |
1 |
ClN3O3C19H26 |
AB3C3D19E26 |
-138.22 |
3.61 |
-9.41 |
-0.73 |
0 |
|
|
131063 |
51149795 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-96.32 |
3.53 |
-8.5 |
-0.73 |
0 |
|
|
131064 |
51149796 |
1 |
NOC15H21 |
ABC15D21 |
-36.09 |
3.38 |
-8.52 |
0.23 |
0 |
|
|
131065 |
51149797 |
1 |
FNSO2C14H18 |
ABCD2E14F18 |
-133.94 |
2.35 |
-9.17 |
-1.05 |
0 |
|
|
131066 |
51149850 |
1 |
NSO4C16H19 |
ABC4D16E19 |
-128.48 |
5.11 |
-9.68 |
-0.85 |
0 |
|
|
131067 |
51149851 |
1 |
SN2O3C16H26 |
AB2C3D16E26 |
-145.7 |
2.21 |
-9.52 |
-0.59 |
0 |
|
|
131068 |
51150099 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-100.57 |
2.7 |
-9.15 |
0.01 |
0 |
|
|
131069 |
51150340 |
1 |
SF2N2O2C16H18 |
AB2C2D2E16F18 |
-176.93 |
2.97 |
-9.11 |
-0.55 |
0 |
|
|
131070 |
51150341 |
1 |
F2N2O3C17H18 |
A2B2C3D17E18 |
-206.61 |
1.68 |
-9.37 |
-0.44 |
0 |
|
|
131071 |
51150342 |
1 |
F2N2S2O3C15H16 |
A2B2C2D3E15F16 |
-169.11 |
4.91 |
-9.45 |
-0.96 |
0 |
|
|
131072 |
51151107 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
-12.01 |
2.25 |
-8.9 |
-1.11 |
0 |
|
|
131073 |
51151129 |
1 |
O3N4C21H22 |
A3B4C21D22 |
12.35 |
5.11 |
-9.34 |
-0.88 |
0 |
|
|
131074 |
51151155 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-79.03 |
4.4 |
-8.99 |
-0.01 |
0 |
|
|
131075 |
51151615 |
1 |
SO2N3C22H29 |
AB2C3D22E29 |
-102.75 |
5.56 |
-8.48 |
-0.7 |
0 |
|
|
131076 |
51151722 |
1 |
BrN3O3C17H18 |
AB3C3D17E18 |
-49.8 |
5.99 |
-9.79 |
-0.67 |
0 |
|
|
131077 |
51152243 |
2 |
NO2C10H12 |
AB2C10D12 |
-128.82 |
5.8 |
-8.7 |
-0.5 |
0 |
|
|
131078 |
51152244 |
1 |
ClN2O3C19H21 |
AB2C3D19E21 |
-109.63 |
2.77 |
-9.0 |
-0.47 |
0 |
|
|
131079 |
51152395 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-109.91 |
7.18 |
-8.28 |
-0.42 |
0 |
|
|
131080 |
51152915 |
2 |
FNO2H7C8 |
ABC2D7E8 |
-215.07 |
6.0 |
-9.35 |
-0.98 |
0 |
|
|
131081 |
51152916 |
1 |
O2N4H18C19 |
A2B4C18D19 |
-7.27 |
5.32 |
-9.0 |
-0.69 |
0 |
|
|
131082 |
51152917 |
1 |
SN2O2C16H16 |
AB2C2D16E16 |
-48.7 |
4.43 |
-9.1 |
-0.71 |
0 |
|
|
131083 |
51152938 |
1 |
BrN2O3C17H17 |
AB2C3D17E17 |
-85.49 |
5.85 |
-9.16 |
-0.49 |
0 |
|
|
131084 |
51153156 |
1 |
FN3O3C18H24 |
AB3C3D18E24 |
-153.91 |
2.5 |
-9.87 |
-0.62 |
0 |
|
|
131085 |
51153543 |
1 |
NO3H19C20 |
AB3C19D20 |
-69.61 |
2.38 |
-8.62 |
-0.52 |
0 |
|
|
131086 |
51154215 |
1 |
SCl2N2O3C14H18 |
AB2C2D3E14F18 |
-124.33 |
3.7 |
-9.26 |
-1.29 |
0 |
|
|
131087 |
51154336 |
1 |
ClN3O4C18H18 |
AB3C4D18E18 |
-52.17 |
7.43 |
-9.28 |
-1.43 |
0 |
|
|
131088 |
51154583 |
1 |
NSO3C13H19 |
ABC3D13E19 |
-113.97 |
3.8 |
-8.06 |
-0.15 |
0 |
|
|
131089 |
51154584 |
1 |
FNS2O4H16C17 |
ABC2D4E16F17 |
-167.64 |
6.79 |
-9.53 |
-1.58 |
0 |
|
|
131090 |
51154876 |
1 |
ClSN2O3C14H21 |
ABC2D3E14F21 |
-131.16 |
7.72 |
-9.16 |
-0.77 |
0 |
|
|
131091 |
51155448 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-89.3 |
5.61 |
-9.46 |
-0.12 |
0 |
|
|
131092 |
51155449 |
1 |
ClN3O3C18H18 |
AB3C3D18E18 |
-75.98 |
3.84 |
-8.63 |
-0.56 |
0 |
|
|
131093 |
51155450 |
1 |
ClOSN2H19C21 |
ABCD2E19F21 |
23.43 |
3.29 |
-8.99 |
-0.43 |
0 |
|
|
131094 |
51155729 |
1 |
N2O2H16C17 |
A2B2C16D17 |
-4.65 |
1.04 |
-9.06 |
-0.77 |
0 |
|
|
131095 |
51155730 |
1 |
SN2O2C17H18 |
AB2C2D17E18 |
-26.52 |
2.35 |
-8.86 |
-0.6 |
0 |
|
|
131096 |
51155731 |
1 |
ClN2O2H15C17 |
AB2C2D15E17 |
-15.3 |
2.03 |
-9.33 |
-1.03 |
0 |
|
|
131097 |
51155812 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-83.66 |
4.27 |
-9.35 |
-0.85 |
0 |
|
|
131098 |
51155852 |
1 |
BrO2N3C16H20 |
AB2C3D16E20 |
-39.03 |
4.29 |
-8.99 |
-0.14 |
0 |
|
|
131099 |
51155919 |
1 |
ClFO2N4C18H22 |
ABC2D4E18F22 |
-80.18 |
4.05 |
-9.01 |
-0.84 |
0 |
|
|
131100 |
51155996 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-13.13 |
6.8 |
-8.64 |
-0.61 |
0 |
|
|
131101 |
51156225 |
1 |
SN2O3C13H18 |
AB2C3D13E18 |
-115.37 |
3.58 |
-9.64 |
-0.13 |
0 |
|
|
131102 |
51156226 |
1 |
SO3N4C16H24 |
AB3C4D16E24 |
-98.71 |
7.36 |
-9.29 |
-0.63 |
0 |
|
|
131103 |
51156522 |
1 |
NO6C21H23 |
AB6C21D23 |
-182.69 |
6.15 |
-8.5 |
-0.64 |
0 |
|
|
131104 |
51156741 |
1 |
FN3O3C21H30 |
AB3C3D21E30 |
-194.86 |
2.82 |
-9.52 |
-0.42 |
0 |
|
|
131105 |
51156742 |
1 |
BrN2O3C17H25 |
AB2C3D17E25 |
-139.12 |
3.03 |
-9.22 |
-0.3 |
0 |
|
|
131106 |
51156743 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-175.79 |
5.54 |
-9.25 |
-0.57 |
0 |