List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
16999 |
481860 |
1 |
N6O9C45H56 |
A6B9C45D56 |
-334.78 |
5.41 |
-9.4 |
-0.32 |
0 |
|
|
17000 |
481873 |
1 |
N3O6C31H47 |
A3B6C31D47 |
-281.01 |
2.71 |
-9.33 |
0.2 |
0 |
|
|
17001 |
481878 |
4 |
NO2C10H14 |
AB2C10D14 |
-358.7 |
3.74 |
-9.42 |
-0.11 |
0 |
|
|
17002 |
481912 |
1 |
N4O9C34H52 |
A4B9C34D52 |
-385.92 |
3.31 |
-9.17 |
-0.22 |
0 |
|
|
17003 |
481913 |
1 |
N5O7C39H55 |
A5B7C39D55 |
-296.48 |
3.62 |
-8.48 |
0.01 |
0 |
|
|
17004 |
481964 |
1 |
O6N7C39H53 |
A6B7C39D53 |
-226.55 |
3.58 |
-9.12 |
-0.35 |
0 |
|
|
17005 |
481985 |
1 |
N5O8C40H57 |
A5B8C40D57 |
-342.65 |
4.13 |
-8.9 |
-0.33 |
0 |
|
|
17006 |
481993 |
1 |
N6O7C41H54 |
A6B7C41D54 |
-267.26 |
7.87 |
-8.88 |
-1.09 |
0 |
|
|
17007 |
482012 |
1 |
N4O8C37H50 |
A4B8C37D50 |
-324.65 |
7.74 |
-8.81 |
-0.78 |
0 |
|
|
17008 |
482022 |
1 |
N5O6C34H53 |
A5B6C34D53 |
-282.63 |
4.45 |
-9.1 |
-0.12 |
0 |
|
|
17009 |
482026 |
1 |
N3O7C37H51 |
A3B7C37D51 |
-303.56 |
5.16 |
-9.16 |
-0.21 |
0 |
|
|
17010 |
482071 |
1 |
O2N3C12H13 |
A2B3C12D13 |
-27.14 |
2.45 |
-9.42 |
-0.22 |
0 |
|
|
17011 |
482140 |
1 |
P3N13O17C29H38 |
A3B13C17D29E38 |
-783.71 |
10.42 |
-9.1 |
-0.63 |
0 |
|
|
17012 |
482149 |
1 |
PN7O8C23H30 |
AB7C8D23E30 |
-301.07 |
3.43 |
-9.62 |
-0.27 |
0 |
|
|
17013 |
482150 |
1 |
SN2O4C29H34 |
AB2C4D29E34 |
-84.65 |
5.33 |
-8.7 |
-0.46 |
0 |
|
|
17014 |
482192 |
1 |
N2O8H18C21 |
A2B8C18D21 |
-197.98 |
7.83 |
-8.6 |
-1.42 |
0 |
|
|
17015 |
482193 |
1 |
Cl2N2O6H8C13 |
A2B2C6D8E13 |
-158.53 |
3.8 |
-9.2 |
-1.89 |
0 |
|
|
17016 |
482194 |
1 |
BrNS2O5H16C17 |
ABC2D5E16F17 |
-162.23 |
8.71 |
-9.34 |
-1.86 |
0 |
|
|
17017 |
482245 |
1 |
FNOH10C14 |
ABCD10E14 |
-14.8 |
2.82 |
-8.96 |
-0.98 |
0 |
|
|
17018 |
482256 |
1 |
O2N6C11H14 |
A2B6C11D14 |
24.24 |
7.33 |
-10.58 |
-1.74 |
0 |
|
|
17019 |
482311 |
1 |
CoN4O6C24H28 |
AB4C6D24E28 |
28.49 |
7.09 |
0.0 |
0.0 |
0 |
|
|
17020 |
482360 |
2 |
FON3C11H11 |
ABC3D11E11 |
-71.08 |
5.9 |
-8.7 |
-0.62 |
0 |
|
|
17021 |
482362 |
1 |
SF2O4N8H20C21 |
AB2C4D8E20F21 |
-123.95 |
4.64 |
-9.65 |
-1.38 |
0 |
|
|
17022 |
482381 |
2 |
NOC9H9 |
ABC9D9 |
-39.5 |
1.7 |
-8.63 |
-0.11 |
0 |
|
|
17023 |
482387 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-22.67 |
3.16 |
-9.67 |
-0.3 |
0 |
|
|
17024 |
482393 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-18.91 |
3.63 |
-9.1 |
-0.35 |
0 |
|
|
17025 |
482397 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-35.04 |
1.52 |
-9.42 |
-0.19 |
0 |
|
|
17026 |
482414 |
1 |
SN2O4H18C20 |
AB2C4D18E20 |
-81.56 |
4.98 |
-8.55 |
-1.78 |
0 |
|
|
17027 |
482420 |
1 |
BrSN2O2H13C17 |
ABC2D2E13F17 |
16.98 |
2.97 |
-8.64 |
-2.17 |
0 |
|
|
17028 |
482431 |
1 |
N3O13C47H55 |
A3B13C47D55 |
-453.45 |
9.35 |
-8.6 |
-1.52 |
0 |
|
|
17029 |
482479 |
1 |
N2F4O5C10H10 |
A2B4C5D10E10 |
-414.15 |
6.65 |
-10.66 |
-1.19 |
0 |
|
|
17030 |
482572 |
1 |
N4O7C30H36 |
A4B7C30D36 |
-261.9 |
2.03 |
-8.5 |
-1.23 |
0 |
|
|
17031 |
482614 |
1 |
SO4N7H13C18 |
AB4C7D13E18 |
128.44 |
4.0 |
-8.9 |
-3.12 |
0 |
|
|
17032 |
482628 |
1 |
BrSN3O3H24C26 |
ABC3D3E24F26 |
5.22 |
4.36 |
-7.94 |
-1.78 |
0 |
|
|
17033 |
482629 |
1 |
BrSN3O3H24C26 |
ABC3D3E24F26 |
5.31 |
4.62 |
-8.01 |
-1.7 |
0 |
|
|
17034 |
482661 |
1 |
SF2N2O4H10C15 |
AB2C2D4E10F15 |
-95.21 |
5.15 |
-9.0 |
-2.19 |
0 |
|
|
17035 |
482671 |
1 |
F2N3O4H23C24 |
A2B3C4D23E24 |
-179.31 |
10.38 |
-9.28 |
-1.5 |
0 |
|
|
17036 |
482674 |
1 |
F3N4O4H23C24 |
A3B4C4D23E24 |
-194.79 |
9.53 |
-9.19 |
-1.41 |
0 |
|
|
17037 |
482698 |
1 |
SO2H10C14 |
AB2C10D14 |
-3.32 |
4.9 |
-8.99 |
-1.04 |
0 |
|
|
17038 |
482722 |
1 |
O2C15H22 |
A2B15C22 |
-91.95 |
1.45 |
-8.98 |
0.1 |
0 |
|
|
17039 |
482734 |
1 |
NOSH11C12 |
ABCD11E12 |
19.66 |
4.24 |
-8.62 |
-0.47 |
0 |
|
|
17040 |
482741 |
1 |
SN2F3O6C30H31 |
AB2C3D6E30F31 |
-346.09 |
4.71 |
-8.86 |
-1.86 |
0 |
|
|
17041 |
482742 |
1 |
SN3O8C29H31 |
AB3C8D29E31 |
-185.89 |
4.11 |
-8.95 |
-2.39 |
0 |
|
|
17042 |
482747 |
2 |
N2S2Cl4O6H11C22 |
A2B2C4D6E11F22 |
-223.53 |
10.8 |
-8.67 |
-2.19 |
0 |
|
|
17043 |
482795 |
1 |
NSO6C32H33 |
ABC6D32E33 |
-148.2 |
6.01 |
-8.94 |
-0.74 |
0 |
|
|
17044 |
482807 |
1 |
O7H26C31 |
A7B26C31 |
-162.34 |
2.8 |
-8.41 |
-0.93 |
0 |
|
|
17045 |
482810 |
1 |
ClO7H27C32 |
AB7C27D32 |
-174.0 |
7.16 |
-8.75 |
-1.09 |
0 |
|
|
17046 |
482830 |
1 |
BrN2O3H17C18 |
AB2C3D17E18 |
-60.43 |
4.23 |
-8.56 |
-0.63 |
0 |
|
|
17047 |
482860 |
1 |
O6N15C36H49 |
A6B15C36D49 |
-143.24 |
9.19 |
-8.43 |
-0.19 |
0 |
|
|
17048 |
482877 |
1 |
ClFSN3H13C14 |
ABCD3E13F14 |
16.22 |
3.08 |
-9.14 |
-0.72 |
0 |
|
|
17049 |
482880 |
3 |
FN2O6C23H37 |
AB2C6D23E37 |
-943.6 |
6.84 |
-8.76 |
-1.52 |
0 |
|
|
17050 |
482892 |
1 |
N7O16C29H57 |
A7B16C29D57 |
-755.34 |
9.5 |
-9.54 |
-0.08 |
0 |
|
|
17051 |
482894 |
1 |
F2N4O8C25H34 |
A2B4C8D25E34 |
-406.95 |
12.68 |
-8.88 |
-1.02 |
0 |
|
|
17052 |
482895 |
1 |
NO18C44H81 |
AB18C44D81 |
-902.0 |
3.25 |
-8.9 |
0.21 |
0 |
|
|
17053 |
482905 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-11.45 |
4.3 |
-8.53 |
0.14 |
0 |
|
|
17054 |
482918 |
1 |
SN4O4C23H36 |
AB4C4D23E36 |
-191.22 |
5.13 |
-9.04 |
-0.06 |
0 |
|
|
17055 |
482920 |
1 |
S2N9O10C29H43 |
A2B9C10D29E43 |
-377.41 |
16.17 |
-8.46 |
-1.05 |
0 |
|
|
17056 |
482921 |
1 |
S3N11O11C33H45 |
A3B11C11D33E45 |
-369.58 |
5.65 |
-8.74 |
-1.42 |
0 |
|
|
17057 |
482941 |
1 |
SN6O6C37H48 |
AB6C6D37E48 |
-167.38 |
4.05 |
-9.1 |
-0.61 |
0 |
|
|
17058 |
482960 |
1 |
S2O5N6C40H54 |
A2B5C6D40E54 |
-150.94 |
4.08 |
-8.68 |
-0.36 |
0 |
|
|
17059 |
482965 |
1 |
S2N7O7C41H55 |
A2B7C7D41E55 |
-243.72 |
6.81 |
-9.43 |
-0.65 |
0 |
|
|
17060 |
482966 |
1 |
S2O5N7C36H47 |
A2B5C7D36E47 |
-131.8 |
3.38 |
-9.14 |
-1.0 |
0 |
|
|
17061 |
482981 |
1 |
SN2O7H18C25 |
AB2C7D18E25 |
-180.48 |
7.45 |
-9.17 |
-1.4 |
0 |
|
|
17062 |
482989 |
1 |
SN2O7H18C20 |
AB2C7D18E20 |
-237.7 |
9.52 |
-9.1 |
-1.28 |
0 |
|
|
17063 |
482994 |
1 |
S2N6O13H28C37 |
A2B6C13D28E37 |
-328.86 |
13.62 |
-9.14 |
-1.95 |
0 |
|
|
17064 |
483001 |
1 |
S2N6O13H32C39 |
A2B6C13D32E39 |
-333.09 |
4.92 |
-8.98 |
-1.87 |
0 |
|
|
17065 |
483002 |
1 |
S2N8O13H22C33 |
A2B8C13D22E33 |
-160.1 |
5.57 |
-9.38 |
-2.15 |
0 |
|
|
17066 |
483003 |
1 |
I2S2N6O13H26C37 |
A2B2C6D13E26F37 |
-273.64 |
17.08 |
-9.12 |
-2.0 |
0 |
|
|
17068 |
483015 |
1 |
P2S2N6O15H30C35 |
A2B2C6D15E30F35 |
-534.8 |
11.11 |
-8.88 |
-1.75 |
0 |
|
|
17069 |
483017 |
1 |
N2S2O11H18C21 |
A2B2C11D18E21 |
-395.91 |
9.27 |
-9.67 |
-1.85 |
0 |
|
|
17070 |
483027 |
1 |
S2N7O14H35C45 |
A2B7C14D35E45 |
-347.47 |
7.31 |
-8.9 |
-1.81 |
0 |
|
|
17071 |
483048 |
2 |
SN3O7H20C24 |
AB3C7D20E24 |
-364.21 |
8.82 |
-8.95 |
-1.75 |
0 |
|
|
17072 |
483153 |
1 |
F2N3O4C18H19 |
A2B3C4D18E19 |
-192.31 |
12.4 |
-9.07 |
-1.15 |
0 |
|
|
17073 |
483179 |
1 |
ClFSN3O8H21C23 |
ABCD3E8F21G23 |
-306.17 |
12.51 |
-9.58 |
-1.43 |
0 |
|
|
17074 |
483189 |
1 |
SN7O9C20H29 |
AB7C9D20E29 |
-226.48 |
14.22 |
-10.1 |
-1.66 |
0 |
|
|
17075 |
483220 |
1 |
O5C15H22 |
A5B15C22 |
-234.62 |
2.49 |
-10.4 |
-0.54 |
0 |
|
|
17076 |
483229 |
1 |
ON4C16H20 |
AB4C16D20 |
-3.47 |
3.02 |
-8.63 |
0.18 |
0 |
|
|
17077 |
483287 |
2 |
FON4H11C12 |
ABC4D11E12 |
23.7 |
9.11 |
-8.98 |
-0.69 |
0 |
|
|
17078 |
483319 |
1 |
O2F3N3H12C17 |
A2B3C3D12E17 |
-157.06 |
4.53 |
-9.98 |
-1.4 |
0 |
|
|
17079 |
483383 |
1 |
SN4O6C33H40 |
AB4C6D33E40 |
-92.17 |
10.76 |
-8.41 |
-1.15 |
0 |
|
|
17080 |
483384 |
1 |
SN4O6C33H42 |
AB4C6D33E42 |
-42.52 |
4.93 |
-8.41 |
-0.72 |
0 |
|
|
17081 |
483390 |
1 |
NO3C6H13 |
AB3C6D13 |
-148.61 |
3.57 |
-9.57 |
1.65 |
0 |
|
|
17082 |
483392 |
1 |
P2N3O8C28H55 |
A2B3C8D28E55 |
-494.79 |
7.16 |
-9.39 |
0.5 |
0 |
|
|
17083 |
483400 |
1 |
FN3O4C24H26 |
AB3C4D24E26 |
-132.99 |
13.72 |
-8.71 |
-0.98 |
0 |
|
|
17084 |
483427 |
1 |
BrClSF2N3H11C14 |
ABCD2E3F11G14 |
-22.24 |
3.38 |
-9.23 |
-0.86 |
0 |
|
|
17085 |
483437 |
1 |
SF2N3H9C13 |
AB2C3D9E13 |
-4.35 |
2.3 |
-8.87 |
-0.72 |
0 |
|
|
17086 |
483499 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-101.17 |
6.52 |
-9.54 |
-1.18 |
0 |
|
|
17087 |
483534 |
2 |
NSO3C12H12 |
ABC3D12E12 |
-177.26 |
2.34 |
-8.88 |
-1.18 |
0 |
|
|
17088 |
483612 |
1 |
N3O3F4H19C22 |
A3B3C4D19E22 |
-234.58 |
10.47 |
-8.99 |
-1.45 |
0 |
|
|
17089 |
483676 |
1 |
SN6O14C42H54 |
AB6C14D42E54 |
-622.94 |
14.86 |
-9.21 |
-0.61 |
0 |
|
|
17090 |
483693 |
1 |
N6O9C26H32 |
A6B9C26D32 |
-299.93 |
13.0 |
-9.01 |
-0.89 |
0 |
|
|
17091 |
483848 |
1 |
S2N5C15H19 |
A2B5C15D19 |
84.69 |
6.53 |
-9.15 |
-1.28 |
0 |
|
|
17092 |
483922 |
1 |
SN2O4C12H16 |
AB2C4D12E16 |
-159.0 |
4.71 |
-9.27 |
-0.78 |
0 |
|
|
17093 |
483984 |
1 |
NSCl2O3H13C18 |
ABC2D3E13F18 |
-45.1 |
3.61 |
-8.65 |
-1.12 |
0 |
|
|
17094 |
484025 |
1 |
NOSC19H23 |
ABCD19E23 |
-19.75 |
4.44 |
-8.06 |
0.03 |
0 |
|
|
17095 |
484086 |
1 |
SN3O5H17C21 |
AB3C5D17E21 |
-45.14 |
5.26 |
-9.62 |
-1.5 |
0 |
|
|
17096 |
484125 |
1 |
O10N16C63H108 |
A10B16C63D108 |
-242.57 |
6.19 |
-7.53 |
-1.59 |
0 |
|
|
17097 |
484169 |
1 |
ClNO2F3H17C19 |
ABC2D3E17F19 |
-140.38 |
2.91 |
-9.16 |
-0.71 |
0 |
|
|
17098 |
484170 |
1 |
ClNO2F3H17C18 |
ABC2D3E17F18 |
-167.74 |
2.47 |
-9.13 |
-0.69 |
0 |
|
|
17099 |
484180 |
1 |
ClN2O2F3H18C22 |
AB2C2D3E18F22 |
-131.5 |
2.36 |
-8.47 |
-0.64 |
0 |