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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
422527 |
135117988 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-77.13 |
5.78 |
-9.03 |
-0.5 |
0 |
|
|
422528 |
135117989 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-95.78 |
5.32 |
-9.44 |
-0.54 |
0 |
|
|
422529 |
135117990 |
2 |
ON3C8H11 |
AB3C8D11 |
13.82 |
5.25 |
-9.07 |
-0.33 |
0 |
|
|
422530 |
135117991 |
1 |
N4O5C22H26 |
A4B5C22D26 |
-126.15 |
6.65 |
-9.05 |
-0.66 |
0 |
|
|
422531 |
135117993 |
1 |
N5O7C33H45 |
A5B7C33D45 |
-230.35 |
5.63 |
-8.76 |
-0.4 |
0 |
|
|
422532 |
135117996 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-19.22 |
3.8 |
-9.15 |
0.05 |
0 |
|
|
422533 |
135117997 |
1 |
SN3O3C19H21 |
AB3C3D19E21 |
66.9 |
5.62 |
-8.59 |
-1.28 |
0 |
|
|
422534 |
135118002 |
1 |
N2O7C26H32 |
A2B7C26D32 |
-204.13 |
3.2 |
-8.38 |
0.06 |
0 |
|
|
422535 |
135118003 |
1 |
N5O5C12H15 |
A5B5C12D15 |
-116.94 |
4.24 |
-10.69 |
-0.8 |
0 |
|
|
422536 |
135118004 |
1 |
SN3O5C21H25 |
AB3C5D21E25 |
-177.17 |
7.36 |
-9.52 |
-1.14 |
0 |
|
|
422537 |
135118006 |
1 |
SO3N5C14H23 |
AB3C5D14E23 |
-76.94 |
6.21 |
-8.88 |
-0.43 |
0 |
|
|
422538 |
135118007 |
1 |
NSO4C19H25 |
ABC4D19E25 |
-160.65 |
6.93 |
-9.46 |
-0.49 |
0 |
|
|
422539 |
135118008 |
1 |
ClO3N5C19H22 |
AB3C5D19E22 |
-39.64 |
3.09 |
-9.22 |
-0.72 |
0 |
|
|
422540 |
135118009 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-10.87 |
6.71 |
-9.03 |
-0.48 |
0 |
|
|
422541 |
135118012 |
1 |
FN2O4C18H21 |
AB2C4D18E21 |
-137.45 |
2.07 |
-9.14 |
-1.42 |
0 |
|
|
422543 |
135118015 |
1 |
SN3O3C21H29 |
AB3C3D21E29 |
-85.26 |
4.2 |
-9.04 |
-0.26 |
0 |
|
|
422544 |
135118016 |
1 |
N2S2O4C13H20 |
A2B2C4D13E20 |
-150.38 |
6.47 |
-9.6 |
-0.83 |
0 |
|
|
422545 |
135118018 |
1 |
ON3C20H27 |
AB3C20D27 |
-7.09 |
1.48 |
-8.44 |
-0.67 |
0 |
|
|
422546 |
135118019 |
1 |
O2N5C16H19 |
A2B5C16D19 |
-14.38 |
2.61 |
-9.81 |
-0.96 |
0 |
|
|
422547 |
135118020 |
1 |
ClNO6H14C15 |
ABC6D14E15 |
-206.14 |
9.29 |
-9.51 |
-1.07 |
0 |
|
|
422549 |
135118022 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-71.95 |
6.6 |
-9.53 |
-0.59 |
0 |
|
|
422551 |
135118024 |
1 |
FO2N6H17C18 |
AB2C6D17E18 |
-11.59 |
3.72 |
-9.54 |
-0.79 |
0 |
|
|
422552 |
135118025 |
1 |
SN2O2C17H24 |
AB2C2D17E24 |
-65.25 |
4.24 |
-8.56 |
-0.62 |
0 |
|
|
422553 |
135118026 |
1 |
ClON4C16H21 |
ABC4D16E21 |
-5.63 |
4.33 |
-8.72 |
-0.33 |
0 |
|
|
422554 |
135118027 |
1 |
SO4N7C27H35 |
AB4C7D27E35 |
-87.82 |
3.32 |
-9.13 |
-0.56 |
0 |
|
|
422555 |
135118028 |
1 |
NS2O3C20H23 |
AB2C3D20E23 |
-79.95 |
4.83 |
-8.34 |
-0.32 |
0 |
|
|
422556 |
135118029 |
1 |
ClON4C16H17 |
ABC4D16E17 |
26.24 |
3.28 |
-9.4 |
-1.12 |
0 |
|
|
422557 |
135118030 |
1 |
SO6N9C34H41 |
AB6C9D34E41 |
-136.21 |
7.57 |
-9.39 |
-1.19 |
0 |
|
|
422558 |
135118031 |
1 |
O3N4C11H16 |
A3B4C11D16 |
6.09 |
5.73 |
-9.43 |
-0.43 |
0 |
|
|
422559 |
135118032 |
1 |
N2O4C17H30 |
A2B4C17D30 |
-215.73 |
1.7 |
-8.99 |
1.16 |
0 |
|
|
422560 |
135118037 |
1 |
NO6C17H21 |
AB6C17D21 |
-208.57 |
4.26 |
-9.01 |
-0.81 |
0 |
|
|
422562 |
135118040 |
1 |
ON3C16H21 |
AB3C16D21 |
-8.86 |
9.85 |
-8.53 |
-0.28 |
0 |
|
|
422563 |
135118043 |
1 |
NO3C17H25 |
AB3C17D25 |
-123.59 |
5.23 |
-9.43 |
0.06 |
0 |
|
|
422564 |
135118045 |
1 |
OSN5C15H21 |
ABC5D15E21 |
36.54 |
4.96 |
-8.92 |
-0.33 |
0 |
|
|
422565 |
135118047 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-46.83 |
4.68 |
-8.59 |
-0.11 |
0 |
|
|
422566 |
135118049 |
1 |
NO4C21H29 |
AB4C21D29 |
-173.55 |
4.07 |
-9.45 |
0.02 |
0 |
|
|
422567 |
135118050 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-104.58 |
4.86 |
-9.25 |
-0.07 |
0 |
|
|
422568 |
135118051 |
1 |
FN5O6C32H34 |
AB5C6D32E34 |
-224.06 |
6.8 |
-8.74 |
-0.85 |
0 |
|
|
422569 |
135118053 |
1 |
N7O7C38H49 |
A7B7C38D49 |
-256.99 |
5.81 |
-8.35 |
-0.86 |
0 |
|
|
422570 |
135118054 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-74.69 |
3.59 |
-8.41 |
-0.24 |
0 |
|
|
422571 |
135118057 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-126.01 |
5.82 |
-9.1 |
-0.45 |
0 |
|
|
422572 |
135118061 |
1 |
ON5C18H23 |
AB5C18D23 |
23.03 |
4.17 |
-8.82 |
-0.54 |
0 |
|
|
422573 |
135118062 |
1 |
ClNO4C17H24 |
ABC4D17E24 |
-176.11 |
3.44 |
-8.91 |
-0.16 |
0 |
|
|
422574 |
135118063 |
1 |
N6O6C29H34 |
A6B6C29D34 |
-155.5 |
2.06 |
-8.95 |
-0.33 |
0 |
|
|
422575 |
135118065 |
1 |
NO4C16H23 |
AB4C16D23 |
-148.29 |
6.06 |
-9.31 |
-0.73 |
0 |
|
|
422576 |
135118066 |
1 |
NO3C23H33 |
AB3C23D33 |
-155.16 |
2.39 |
-9.18 |
0.18 |
0 |
|
|
422577 |
135118067 |
1 |
ON4C16H24 |
AB4C16D24 |
-8.33 |
4.9 |
-8.94 |
-0.55 |
0 |
|
|
422578 |
135118070 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-125.07 |
3.84 |
-9.54 |
-0.62 |
0 |
|
|
422580 |
135118075 |
1 |
N6O6C37H54 |
A6B6C37D54 |
-305.69 |
6.21 |
-9.43 |
0.01 |
0 |
|
|
422581 |
135118076 |
1 |
ClO4N7C25H28 |
AB4C7D25E28 |
-48.24 |
7.3 |
-8.87 |
-1.06 |
0 |
|
|
422582 |
135118078 |
1 |
NSF2O5C16H19 |
ABC2D5E16F19 |
-265.97 |
5.62 |
-10.07 |
-1.39 |
0 |
|
|
422583 |
135118081 |
1 |
ClN4C14H21 |
AB4C14D21 |
19.25 |
5.66 |
-8.47 |
-0.08 |
0 |
|
|
422584 |
135118083 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-53.75 |
2.92 |
-8.65 |
0.38 |
0 |
|
|
422585 |
135118084 |
1 |
ON8C19H20 |
AB8C19D20 |
96.75 |
4.87 |
-9.12 |
-1.47 |
0 |
|
|
422586 |
135118088 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-19.6 |
2.09 |
-8.52 |
0.11 |
0 |
|
|
422587 |
135118089 |
1 |
SN2O4C18H22 |
AB2C4D18E22 |
-117.57 |
7.04 |
-9.52 |
-0.57 |
0 |
|
|
422588 |
135118090 |
1 |
ON4C17H24 |
AB4C17D24 |
-16.08 |
6.17 |
-8.6 |
0.06 |
0 |
|
|
422589 |
135118093 |
1 |
NO4C20H25 |
AB4C20D25 |
-142.43 |
6.04 |
-9.09 |
0.3 |
0 |
|
|
422590 |
135118095 |
1 |
O6N9C32H41 |
A6B9C32D41 |
-88.14 |
5.96 |
-9.17 |
-1.4 |
0 |
|
|
422591 |
135118100 |
1 |
FSN2O4C17H25 |
ABC2D4E17F25 |
-208.99 |
5.6 |
-9.49 |
-0.03 |
0 |
|
|
422592 |
135118101 |
1 |
ON4C17H24 |
AB4C17D24 |
-5.33 |
6.61 |
-9.02 |
-0.14 |
0 |
|
|
422593 |
135118103 |
1 |
O2N5C17H19 |
A2B5C17D19 |
24.07 |
6.41 |
-9.15 |
-0.64 |
0 |
|
|
422594 |
135118104 |
1 |
FON4C14H17 |
ABC4D14E17 |
-27.77 |
5.1 |
-8.68 |
-0.07 |
0 |
|
|
422595 |
135118105 |
1 |
O2N5C23H31 |
A2B5C23D31 |
-44.15 |
4.77 |
-8.56 |
0.08 |
0 |
|
|
422596 |
135118106 |
1 |
OF3N3C14H16 |
AB3C3D14E16 |
-157.22 |
4.75 |
-9.26 |
-0.53 |
0 |
|
|
422597 |
135118107 |
1 |
FSO5N7C35H44 |
ABC5D7E35F44 |
-199.65 |
6.37 |
-9.1 |
-1.11 |
0 |
|
|
422598 |
135118109 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-73.65 |
5.98 |
-8.51 |
-0.7 |
0 |
|
|
422599 |
135118110 |
1 |
ON3C21H27 |
AB3C21D27 |
0.62 |
6.69 |
-8.95 |
0.0 |
0 |
|
|
422600 |
135118112 |
1 |
NF3O3C14H24 |
AB3C3D14E24 |
-336.32 |
5.48 |
-8.9 |
1.83 |
0 |
|
|
422601 |
135118114 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-196.22 |
4.78 |
-9.28 |
-0.01 |
0 |
|
|
422603 |
135118118 |
1 |
O2N6C15H20 |
A2B6C15D20 |
11.9 |
6.51 |
-9.26 |
-0.98 |
0 |
|
|
422604 |
135118121 |
1 |
N3O5C22H33 |
A3B5C22D33 |
-184.65 |
3.83 |
-8.63 |
0.24 |
0 |
|
|
422605 |
135118122 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-58.34 |
8.04 |
-9.02 |
-0.46 |
0 |
|
|
422606 |
135118123 |
1 |
S2N4O4C11H18 |
A2B4C4D11E18 |
-131.84 |
6.22 |
-9.16 |
-0.82 |
0 |
|
|
422607 |
135118126 |
1 |
ClFON3C14H17 |
ABCD3E14F17 |
-57.37 |
2.95 |
-8.95 |
-0.62 |
0 |
|
|
422608 |
135118127 |
1 |
N2S2O4C13H20 |
A2B2C4D13E20 |
-144.71 |
4.96 |
-9.05 |
-0.27 |
0 |
|
|
422609 |
135118131 |
1 |
N5O7C36H51 |
A5B7C36D51 |
-290.29 |
4.6 |
-8.74 |
-0.93 |
0 |
|
|
422610 |
135118134 |
2 |
N3O3H14C15 |
A3B3C14D15 |
-93.38 |
8.2 |
-9.36 |
-1.1 |
0 |
|
|
422611 |
135118136 |
1 |
N4O5C18H20 |
A4B5C18D20 |
-118.92 |
3.09 |
-8.81 |
-0.48 |
0 |
|
|
422612 |
135118139 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-7.04 |
2.63 |
-9.03 |
-0.96 |
0 |
|
|
422613 |
135118140 |
1 |
N6O7C30H40 |
A6B7C30D40 |
-275.44 |
2.27 |
-9.46 |
0.0 |
0 |
|
|
422614 |
135118142 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-94.43 |
5.08 |
-9.84 |
0.13 |
0 |
|
|
422615 |
135118143 |
1 |
O2F3N3C15H16 |
A2B3C3D15E16 |
-167.94 |
2.33 |
-9.16 |
-0.8 |
0 |
|
|
422616 |
135118144 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-146.01 |
2.24 |
-8.88 |
-0.2 |
0 |
|
|
422617 |
135118146 |
1 |
FSN2O3C17H25 |
ABC2D3E17F25 |
-169.07 |
5.87 |
-8.71 |
-0.74 |
0 |
|
|
422618 |
135118150 |
1 |
ClO2N3C18H20 |
AB2C3D18E20 |
15.4 |
3.45 |
-8.87 |
-0.79 |
0 |
|
|
422619 |
135118151 |
1 |
N7O7C36H47 |
A7B7C36D47 |
-181.87 |
8.57 |
-8.76 |
-0.67 |
0 |
|
|
422620 |
135118153 |
1 |
FN2O4C20H29 |
AB2C4D20E29 |
-233.38 |
5.11 |
-9.37 |
-0.06 |
0 |
|
|
422621 |
135118154 |
1 |
S2N3O4C14H23 |
A2B3C4D14E23 |
-156.59 |
6.92 |
-9.65 |
-1.16 |
0 |
|
|
422622 |
135118155 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-67.74 |
2.28 |
-8.26 |
0.09 |
0 |
|
|
422623 |
135118156 |
1 |
FON5C18H22 |
ABC5D18E22 |
-21.93 |
3.33 |
-8.55 |
-0.14 |
0 |
|
|
422624 |
135118157 |
1 |
ON2C20H32 |
AB2C20D32 |
-56.91 |
2.32 |
-8.66 |
0.6 |
0 |
|
|
422625 |
135118158 |
1 |
N6O7C35H50 |
A6B7C35D50 |
-223.4 |
11.18 |
-8.52 |
-0.08 |
0 |
|
|
422626 |
135118159 |
1 |
NO4C20H31 |
AB4C20D31 |
-181.92 |
6.69 |
-8.64 |
0.29 |
0 |
|
|
422627 |
135118160 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-38.6 |
3.87 |
-8.95 |
-0.21 |
0 |
|
|
422628 |
135118162 |
1 |
ON6C16H24 |
AB6C16D24 |
11.21 |
2.37 |
-8.36 |
0.02 |
0 |
|
|
422629 |
135118164 |
1 |
NO5C22H23 |
AB5C22D23 |
-176.45 |
4.25 |
-9.18 |
-0.39 |
0 |
|
|
422630 |
135118165 |
1 |
N2O5C21H24 |
A2B5C21D24 |
-156.29 |
2.89 |
-8.44 |
-0.82 |
0 |
|
|
422631 |
135118166 |
1 |
SN3O5C17H23 |
AB3C5D17E23 |
-191.49 |
2.65 |
-9.72 |
-1.36 |
0 |
|
|
422632 |
135118167 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-109.01 |
7.09 |
-9.6 |
-1.04 |
0 |