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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
38553 |
8137048 |
1 |
F2N3O5C16H19 |
A2B3C5D16E19 |
-267.55 |
5.74 |
-9.42 |
-1.01 |
0 |
|
|
38554 |
8137050 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-114.38 |
7.67 |
-8.8 |
-0.7 |
0 |
|
|
38555 |
8137051 |
1 |
N2O4H16C17 |
A2B4C16D17 |
-55.02 |
1.9 |
-9.78 |
-1.49 |
0 |
|
|
38556 |
8137062 |
1 |
FSO3N4C15H15 |
ABC3D4E15F15 |
-73.8 |
5.19 |
-9.3 |
-1.27 |
0 |
|
|
38557 |
8137066 |
2 |
NO2C8H8 |
AB2C8D8 |
-70.66 |
6.71 |
-9.55 |
-1.11 |
0 |
|
|
38558 |
8137067 |
2 |
NO2C8H8 |
AB2C8D8 |
-70.72 |
6.81 |
-9.53 |
-1.08 |
0 |
|
|
38559 |
8137068 |
1 |
SN3O5C19H27 |
AB3C5D19E27 |
-178.75 |
7.89 |
-9.43 |
-0.89 |
0 |
|
|
38560 |
8137069 |
1 |
N3O5H17C18 |
A3B5C17D18 |
-117.06 |
7.89 |
-8.35 |
-1.32 |
0 |
|
|
38561 |
8137072 |
1 |
SN2O2C16H22 |
AB2C2D16E22 |
-68.8 |
3.0 |
-8.55 |
-0.02 |
0 |
|
|
38562 |
8137075 |
1 |
NO4C20H21 |
AB4C20D21 |
-104.59 |
4.79 |
-8.91 |
-0.53 |
0 |
|
|
38563 |
8137076 |
1 |
BrSN3O4C14H18 |
ABC3D4E14F18 |
-126.22 |
4.71 |
-10.11 |
-0.87 |
0 |
|
|
38564 |
8137077 |
1 |
SN2O5C19H20 |
AB2C5D19E20 |
-163.75 |
7.16 |
-9.09 |
-1.03 |
0 |
|
|
38565 |
8137080 |
1 |
SN3O4C14H19 |
AB3C4D14E19 |
-128.08 |
5.11 |
-9.93 |
-0.55 |
0 |
|
|
38566 |
8137082 |
1 |
N2O5C21H22 |
A2B5C21D22 |
-171.55 |
9.05 |
-8.21 |
-0.34 |
0 |
|
|
38567 |
8137083 |
1 |
N3O5C23H23 |
A3B5C23D23 |
-139.24 |
5.35 |
-9.33 |
-1.45 |
0 |
|
|
38568 |
8137095 |
1 |
ClN2O4H13C17 |
AB2C4D13E17 |
-56.95 |
6.66 |
-9.45 |
-0.79 |
0 |
|
|
38569 |
8137097 |
1 |
N2O5C16H20 |
A2B5C16D20 |
-182.07 |
3.03 |
-9.24 |
-0.81 |
0 |
|
|
38570 |
8137099 |
1 |
SN3O6C19H27 |
AB3C6D19E27 |
-209.56 |
9.1 |
-9.04 |
-0.61 |
0 |
|
|
38571 |
8137101 |
1 |
FN2O4H15C18 |
AB2C4D15E18 |
-120.8 |
4.67 |
-9.4 |
-1.18 |
0 |
|
|
38572 |
8137110 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-155.82 |
5.1 |
-9.55 |
0.32 |
0 |
|
|
38573 |
8137111 |
1 |
N2O4H18C19 |
A2B4C18D19 |
-84.03 |
4.64 |
-9.32 |
-0.88 |
0 |
|
|
38574 |
8137112 |
1 |
SN2O2C16H22 |
AB2C2D16E22 |
-68.08 |
5.99 |
-9.38 |
-0.89 |
0 |
|
|
38575 |
8137114 |
2 |
NO2C8H9 |
AB2C8D9 |
-107.21 |
5.94 |
-8.96 |
-0.78 |
0 |
|
|
38576 |
8137119 |
1 |
NO4C13H17 |
AB4C13D17 |
-168.03 |
7.57 |
-9.62 |
-0.75 |
0 |
|
|
38577 |
8137128 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-82.14 |
5.48 |
-9.01 |
-1.12 |
0 |
|
|
38578 |
8137129 |
1 |
NO3C20H27 |
AB3C20D27 |
-115.38 |
3.65 |
-9.71 |
-0.25 |
0 |
|
|
38579 |
8137131 |
1 |
ClN2O3C17H23 |
AB2C3D17E23 |
-122.05 |
2.75 |
-9.02 |
-0.23 |
0 |
|
|
38580 |
8137133 |
1 |
N2O4C21H28 |
A2B4C21D28 |
-183.14 |
6.01 |
-8.21 |
-0.12 |
0 |
|
|
38581 |
8137135 |
1 |
N3O4H19C22 |
A3B4C19D22 |
-2.38 |
3.35 |
-8.79 |
-0.69 |
0 |
|
|
38582 |
8137136 |
1 |
SN4O5C19H24 |
AB4C5D19E24 |
-142.0 |
7.49 |
-9.3 |
-0.73 |
0 |
|
|
38583 |
8137137 |
1 |
N3O5C17H17 |
A3B5C17D17 |
-54.81 |
2.71 |
-9.35 |
-0.84 |
0 |
|
|
38584 |
8137140 |
1 |
N3O6C14H19 |
A3B6C14D19 |
-168.66 |
3.93 |
-9.52 |
-0.04 |
0 |
|
|
38585 |
8137141 |
1 |
SN3O5C18H19 |
AB3C5D18E19 |
-96.34 |
2.36 |
-9.22 |
-0.82 |
0 |
|
|
38586 |
8137143 |
1 |
SN3O5C18H19 |
AB3C5D18E19 |
-97.44 |
2.25 |
-9.12 |
-0.84 |
0 |
|
|
38587 |
8137148 |
1 |
SCl2N2O2C14H16 |
AB2C2D2E14F16 |
-69.34 |
5.15 |
-9.09 |
-0.49 |
0 |
|
|
38588 |
8137153 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-97.55 |
4.68 |
-9.48 |
-0.2 |
0 |
|
|
38589 |
8137159 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-100.94 |
3.02 |
-8.77 |
-0.07 |
0 |
|
|
38590 |
8137160 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-167.56 |
5.6 |
-9.39 |
-0.59 |
0 |
|
|
38591 |
8137161 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-168.03 |
5.47 |
-9.32 |
-0.65 |
0 |
|
|
38592 |
8137162 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-99.89 |
3.36 |
-8.63 |
0.07 |
0 |
|
|
38593 |
8137164 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-104.52 |
2.27 |
-8.64 |
0.05 |
0 |
|
|
38594 |
8137165 |
1 |
SN2O4C21H22 |
AB2C4D21E22 |
-99.22 |
1.34 |
-9.11 |
-0.8 |
0 |
|
|
38595 |
8137166 |
1 |
BrSN3O4C13H16 |
ABC3D4E13F16 |
-113.23 |
3.05 |
-9.24 |
-1.0 |
0 |
|
|
38596 |
8137169 |
1 |
SN2O2C15H20 |
AB2C2D15E20 |
-61.29 |
1.79 |
-8.81 |
-0.05 |
0 |
|
|
38597 |
8137178 |
1 |
NO4C20H21 |
AB4C20D21 |
-94.61 |
2.99 |
-8.9 |
-0.25 |
0 |
|
|
38598 |
8137181 |
1 |
N4O5C15H18 |
A4B5C15D18 |
-100.72 |
7.66 |
-10.02 |
-1.44 |
0 |
|
|
38599 |
8137184 |
1 |
N3O6C16H17 |
A3B6C16D17 |
-217.83 |
4.71 |
-8.88 |
-0.77 |
0 |
|
|
38600 |
8137187 |
1 |
SN2O5C19H20 |
AB2C5D19E20 |
-163.36 |
2.39 |
-9.3 |
-0.83 |
0 |
|
|
38601 |
8137190 |
1 |
NO4C14H19 |
AB4C14D19 |
-158.82 |
2.5 |
-9.15 |
0.04 |
0 |
|
|
38602 |
8137197 |
1 |
ClN2O4C17H21 |
AB2C4D17E21 |
-121.84 |
5.04 |
-8.64 |
-0.71 |
0 |
|
|
38603 |
8137204 |
1 |
SN2O2C15H20 |
AB2C2D15E20 |
-68.08 |
3.55 |
-9.21 |
-0.52 |
0 |
|
|
38604 |
8137214 |
1 |
ClNSO3C19H20 |
ABCD3E19F20 |
-93.22 |
4.4 |
-8.92 |
-1.05 |
0 |
|
|
38605 |
8137216 |
1 |
ClNSO3C19H20 |
ABCD3E19F20 |
-93.45 |
4.76 |
-9.2 |
-1.06 |
0 |
|
|
38606 |
8137229 |
1 |
FSN2O6C15H19 |
ABC2D6E15F19 |
-267.2 |
4.63 |
-9.68 |
-1.56 |
0 |
|
|
38607 |
8137230 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-48.17 |
1.54 |
-8.71 |
-0.37 |
0 |
|
|
38608 |
8137234 |
1 |
ClO3N4C15H17 |
AB3C4D15E17 |
-51.42 |
2.29 |
-9.48 |
-1.12 |
0 |
|
|
38609 |
8137238 |
1 |
ClO4N5C18H20 |
AB4C5D18E20 |
-71.33 |
3.06 |
-9.61 |
-1.26 |
0 |
|
|
38610 |
8137242 |
1 |
ClSN3O4C16H20 |
ABC3D4E16F20 |
-135.75 |
5.91 |
-9.6 |
-1.35 |
0 |
|
|
38611 |
8137245 |
1 |
ClO3N4H19C20 |
AB3C4D19E20 |
-16.98 |
2.34 |
-9.44 |
-1.09 |
0 |
|
|
38612 |
8137247 |
1 |
SN3O4C18H19 |
AB3C4D18E19 |
-93.91 |
4.9 |
-8.96 |
-0.78 |
0 |
|
|
38613 |
8137249 |
1 |
SN3O5C13H17 |
AB3C5D13E17 |
-160.76 |
5.89 |
-9.85 |
-0.83 |
0 |
|
|
38614 |
8137250 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-11.88 |
3.33 |
-8.84 |
-0.81 |
0 |
|
|
38615 |
8137254 |
1 |
NSO4C19H21 |
ABC4D19E21 |
-100.29 |
1.49 |
-8.84 |
-0.38 |
0 |
|
|
38616 |
8137255 |
1 |
SN3O4C18H21 |
AB3C4D18E21 |
-106.54 |
6.86 |
-9.32 |
-0.97 |
0 |
|
|
38617 |
8137258 |
1 |
NSO4C19H21 |
ABC4D19E21 |
-113.95 |
6.69 |
-9.1 |
-0.72 |
0 |
|
|
38618 |
8137262 |
1 |
ClSN3O5C17H22 |
ABC3D5E17F22 |
-174.24 |
2.42 |
-9.74 |
-1.29 |
0 |
|
|
38619 |
8137264 |
1 |
O3N4C14H16 |
A3B4C14D16 |
-46.42 |
5.4 |
-9.55 |
-1.31 |
0 |
|
|
38620 |
8137266 |
1 |
O3N4H20C21 |
A3B4C20D21 |
-17.47 |
2.89 |
-9.54 |
-1.45 |
0 |
|
|
38621 |
8137270 |
1 |
N4O4H20C21 |
A4B4C20D21 |
-51.74 |
4.09 |
-9.6 |
-1.37 |
0 |
|
|
38622 |
8137271 |
1 |
SN3O4C15H19 |
AB3C4D15E19 |
-103.17 |
3.78 |
-9.71 |
-1.21 |
0 |
|
|
38623 |
8137273 |
1 |
O3N5H17C20 |
A3B5C17D20 |
44.61 |
1.6 |
-9.41 |
-1.54 |
0 |
|
|
38624 |
8137274 |
1 |
N2O5C15H18 |
A2B5C15D18 |
-146.37 |
2.68 |
-9.32 |
-1.1 |
0 |
|
|
38625 |
8137280 |
1 |
SN3O3C14H15 |
AB3C3D14E15 |
-51.69 |
2.1 |
-8.99 |
-0.68 |
0 |
|
|
38626 |
8137282 |
1 |
FO3N5H14C19 |
AB3C5D14E19 |
-13.09 |
2.88 |
-9.87 |
-1.55 |
0 |
|
|
38627 |
8137283 |
1 |
SN4O5C18H20 |
AB4C5D18E20 |
-107.94 |
4.46 |
-9.9 |
-1.47 |
0 |
|
|
38628 |
8137289 |
1 |
O3N4H18C20 |
A3B4C18D20 |
4.73 |
5.89 |
-9.78 |
-1.32 |
0 |
|
|
38629 |
8137290 |
1 |
SO3N5C15H19 |
AB3C5D15E19 |
-32.88 |
5.85 |
-8.9 |
-0.74 |
0 |
|
|
38630 |
8137291 |
1 |
O3N4H18C20 |
A3B4C18D20 |
5.27 |
4.17 |
-9.82 |
-1.4 |
0 |
|
|
38631 |
8137292 |
2 |
N2O2H9C11 |
A2B2C9D11 |
-41.54 |
6.64 |
-9.6 |
-1.27 |
0 |
|
|
38632 |
8137293 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-127.23 |
4.96 |
-8.75 |
-0.59 |
0 |
|
|
38633 |
8137295 |
1 |
SN3O5C16H23 |
AB3C5D16E23 |
-170.38 |
3.75 |
-9.72 |
-1.23 |
0 |
|
|
38634 |
8137297 |
1 |
SN3O5C16H23 |
AB3C5D16E23 |
-168.77 |
4.49 |
-9.74 |
-1.03 |
0 |
|
|
38635 |
8137298 |
1 |
ClO3N5H12C18 |
AB3C5D12E18 |
49.73 |
2.18 |
-9.72 |
-1.62 |
0 |
|
|
38636 |
8137300 |
1 |
FN3O4H16C20 |
AB3C4D16E20 |
-129.09 |
2.48 |
-9.42 |
-2.12 |
0 |
|
|
38637 |
8137310 |
1 |
SN4O5C17H24 |
AB4C5D17E24 |
-175.27 |
3.48 |
-9.63 |
-1.44 |
0 |
|
|
38638 |
8137315 |
1 |
ClSN3O4C14H18 |
ABC3D4E14F18 |
-134.73 |
4.15 |
-10.07 |
-0.98 |
0 |
|
|
38639 |
8137317 |
1 |
F2N3O5H11C17 |
A2B3C5D11E17 |
-116.0 |
4.88 |
-10.45 |
-2.11 |
0 |
|
|
38640 |
8137318 |
1 |
FSN3O3C15H18 |
ABC3D3E15F18 |
-135.48 |
1.6 |
-9.17 |
-0.53 |
0 |
|
|
38641 |
8137320 |
1 |
NF2O3H17C19 |
AB2C3D17E19 |
-165.74 |
4.99 |
-9.49 |
-1.03 |
0 |
|
|
38642 |
8137322 |
1 |
NF2O4H17C19 |
AB2C4D17E19 |
-201.29 |
2.34 |
-9.52 |
-1.3 |
0 |
|
|
38643 |
8137323 |
1 |
NF2O4H17C19 |
AB2C4D17E19 |
-200.4 |
3.26 |
-9.52 |
-1.08 |
0 |
|
|
38644 |
8137324 |
1 |
N4O4C13H16 |
A4B4C13D16 |
-56.44 |
4.66 |
-9.25 |
-1.15 |
0 |
|
|
38645 |
8137325 |
1 |
F2N2O3H14C18 |
A2B2C3D14E18 |
-104.52 |
1.35 |
-9.4 |
-1.31 |
0 |
|
|
38646 |
8137326 |
1 |
BrFN2O2C14H14 |
ABC2D2E14F14 |
-77.24 |
4.05 |
-9.57 |
-1.18 |
0 |
|
|
38647 |
8137328 |
1 |
F2N3O4C15H17 |
A2B3C4D15E17 |
-237.7 |
3.55 |
-9.96 |
-0.69 |
0 |
|
|
38648 |
8137330 |
1 |
SN4O4C14H16 |
AB4C4D14E16 |
-83.66 |
5.63 |
-9.94 |
-1.42 |
0 |
|
|
38649 |
8137331 |
1 |
NSF2O5C18H21 |
ABC2D5E18F21 |
-288.81 |
8.68 |
-10.15 |
-1.14 |
0 |
|
|
38650 |
8137333 |
1 |
SF2N2O3H16C19 |
AB2C2D3E16F19 |
-143.35 |
4.09 |
-9.14 |
-1.03 |
0 |
|
|
38651 |
8137336 |
1 |
SN3O4C19H21 |
AB3C4D19E21 |
-105.32 |
6.03 |
-8.89 |
-0.55 |
0 |
|
|
38652 |
8137341 |
1 |
NSF2O5C16H17 |
ABC2D5E16F17 |
-255.54 |
7.59 |
-10.25 |
-1.22 |
0 |