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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
314550 |
126622114 |
1 |
FN2O3C19H19 |
AB2C3D19E19 |
-104.75 |
5.6 |
-8.7 |
-1.22 |
0 |
|
|
314551 |
126622118 |
1 |
FN3O4C20H22 |
AB3C4D20E22 |
-162.46 |
4.51 |
-8.93 |
-1.21 |
0 |
|
|
314552 |
126622126 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-98.43 |
7.44 |
-9.0 |
-1.24 |
0 |
|
|
314553 |
126622131 |
1 |
FN3O3C20H20 |
AB3C3D20E20 |
-86.09 |
4.96 |
-9.01 |
-1.41 |
0 |
|
|
314554 |
126622132 |
1 |
FN2O5C17H17 |
AB2C5D17E17 |
-207.62 |
6.37 |
-9.03 |
-1.47 |
0 |
|
|
314555 |
126622133 |
1 |
ClO2N3H8C10 |
AB2C3D8E10 |
-20.41 |
0.95 |
-9.32 |
-1.69 |
0 |
|
|
314556 |
126622137 |
1 |
O2N3H7C10 |
A2B3C7D10 |
1.74 |
4.54 |
-9.2 |
-1.63 |
0 |
|
|
314557 |
126622139 |
1 |
ClN3O3H10C13 |
AB3C3D10E13 |
23.31 |
5.63 |
-9.62 |
-2.47 |
0 |
|
|
314558 |
126622140 |
1 |
ClNO3C11H18 |
ABC3D11E18 |
-157.55 |
2.77 |
-9.97 |
0.33 |
0 |
|
|
314559 |
126622141 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-148.02 |
5.65 |
-8.86 |
-1.09 |
0 |
|
|
314560 |
126622142 |
1 |
FN3O4C18H18 |
AB3C4D18E18 |
-145.87 |
4.24 |
-9.03 |
-1.28 |
0 |
|
|
314561 |
126622143 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-110.42 |
3.99 |
-9.47 |
-1.32 |
0 |
|
|
314562 |
126622144 |
1 |
N4O4H20C21 |
A4B4C20D21 |
-61.7 |
5.93 |
-8.93 |
-1.63 |
0 |
|
|
314563 |
126622156 |
1 |
O4N5C22H23 |
A4B5C22D23 |
-76.3 |
4.85 |
-8.89 |
-1.49 |
0 |
|
|
314564 |
126622176 |
1 |
FN3O3C18H18 |
AB3C3D18E18 |
-92.53 |
4.95 |
-9.11 |
-1.5 |
0 |
|
|
314565 |
126622183 |
1 |
NO4C7H9 |
AB4C7D9 |
-152.66 |
3.04 |
-10.06 |
-0.36 |
0 |
|
|
314566 |
126622188 |
1 |
NO7H9C11 |
AB7C9D11 |
-184.87 |
5.65 |
-10.23 |
-1.93 |
-1 |
|
|
314567 |
126622203 |
1 |
BrNZnH7C8 |
ABCD7E8 |
84.22 |
4.51 |
0.0 |
0.0 |
0 |
|
|
314568 |
126622207 |
1 |
N2O3C14H14 |
A2B3C14D14 |
-25.26 |
1.33 |
-9.25 |
-1.1 |
0 |
|
|
314569 |
126622217 |
1 |
BrFO5N7H27C28 |
ABC5D7E27F28 |
-138.45 |
8.61 |
-8.98 |
-0.96 |
0 |
|
|
314570 |
126622218 |
1 |
BrNO2H10C11 |
ABC2D10E11 |
-37.95 |
5.02 |
-8.62 |
-0.67 |
0 |
|
|
314571 |
126622219 |
1 |
IN4O4C27H29 |
AB4C4D27E29 |
-53.61 |
4.52 |
-8.84 |
-1.13 |
0 |
|
|
314572 |
126622220 |
3 |
NC7H7 |
AB7C7 |
75.05 |
3.38 |
-8.78 |
-0.77 |
0 |
|
|
314573 |
126622222 |
1 |
NO4C14H17 |
AB4C14D17 |
-125.6 |
3.6 |
-9.01 |
-0.64 |
0 |
|
|
314574 |
126622227 |
1 |
O3N4H10C13 |
A3B4C10D13 |
-12.22 |
6.02 |
-9.25 |
-1.98 |
0 |
|
|
314575 |
126622247 |
1 |
NSO3C13H13 |
ABC3D13E13 |
-85.36 |
2.61 |
-8.44 |
-0.91 |
0 |
|
|
314576 |
126622251 |
1 |
N3C21H25 |
A3B21C25 |
40.61 |
2.15 |
-8.61 |
-0.54 |
0 |
|
|
314577 |
126622253 |
1 |
ClPF2N5O7H31C35 |
ABC2D5E7F31G35 |
-329.22 |
5.8 |
-9.02 |
-1.12 |
0 |
|
|
314578 |
126622254 |
1 |
BrFO5N7H33C35 |
ABC5D7E33F35 |
-106.79 |
8.21 |
-9.01 |
-0.94 |
0 |
|
|
314579 |
126622263 |
1 |
BrNO4C17H20 |
ABC4D17E20 |
-145.34 |
4.64 |
-8.57 |
-0.63 |
0 |
|
|
314580 |
126622265 |
1 |
N3C18H23 |
A3B18C23 |
33.15 |
6.59 |
-8.64 |
-0.58 |
0 |
|
|
314581 |
126622283 |
2 |
BrNC7H8 |
ABC7D8 |
24.19 |
4.65 |
-8.98 |
-1.03 |
0 |
|
|
314582 |
126622286 |
1 |
ON2C17H26 |
AB2C17D26 |
-62.96 |
3.22 |
-9.18 |
0.26 |
0 |
|
|
314583 |
126622291 |
1 |
ON2C18H28 |
AB2C18D28 |
-67.44 |
3.32 |
-9.1 |
0.3 |
0 |
|
|
314584 |
126622305 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-57.9 |
1.62 |
-9.26 |
-0.52 |
0 |
|
|
314585 |
126622306 |
1 |
N2C19H20 |
A2B19C20 |
81.96 |
5.56 |
-9.11 |
-0.83 |
0 |
|
|
314586 |
126622310 |
1 |
BrOF3N7H17C24 |
ABC3D7E17F24 |
-37.07 |
7.79 |
-9.11 |
-1.28 |
0 |
|
|
314587 |
126622320 |
1 |
ClO2N4H19C22 |
AB2C4D19E22 |
58.86 |
2.87 |
-9.08 |
-0.84 |
0 |
|
|
314588 |
126622338 |
1 |
N3C18H23 |
A3B18C23 |
34.24 |
5.15 |
-8.72 |
-0.58 |
0 |
|
|
314589 |
126622356 |
1 |
FO2N5H20C25 |
AB2C5D20E25 |
34.5 |
3.02 |
-9.0 |
-0.79 |
0 |
|
|
314590 |
126622360 |
1 |
IO4N5C22H26 |
AB4C5D22E26 |
-72.7 |
3.36 |
-9.02 |
-1.26 |
0 |
|
|
314591 |
126622371 |
1 |
NO4H19C21 |
AB4C19D21 |
-102.73 |
5.33 |
-9.24 |
-1.85 |
0 |
|
|
314592 |
126622373 |
1 |
OF4N7H17C24 |
AB4C7D17E24 |
-74.26 |
4.75 |
-9.13 |
-1.23 |
0 |
|
|
314593 |
126622383 |
1 |
FN2O3C17H25 |
AB2C3D17E25 |
-200.41 |
5.69 |
-9.53 |
-0.19 |
0 |
|
|
314594 |
126622390 |
1 |
SN2O6C12H12 |
AB2C6D12E12 |
-123.56 |
2.61 |
-10.48 |
-2.29 |
0 |
|
|
314595 |
126622393 |
1 |
BrOF3N7H19C25 |
ABC3D7E19F25 |
-48.18 |
7.77 |
-9.11 |
-1.3 |
0 |
|
|
314596 |
126622394 |
1 |
OF3N8H19C24 |
AB3C8D19E24 |
-38.51 |
7.42 |
-8.8 |
-1.16 |
0 |
|
|
314597 |
126622395 |
1 |
SN2C8H8 |
AB2C8D8 |
57.69 |
3.97 |
-8.97 |
-0.82 |
0 |
|
|
314598 |
126622396 |
1 |
O2F3N8H21C26 |
A2B3C8D21E26 |
-65.97 |
9.17 |
-9.06 |
-1.09 |
0 |
|
|
314599 |
126622397 |
1 |
NO2C17H19 |
AB2C17D19 |
-53.77 |
4.87 |
-9.18 |
0.36 |
0 |
|
|
314600 |
126622416 |
1 |
ClNO2C17H20 |
ABC2D17E20 |
-85.6 |
2.73 |
-8.89 |
-0.5 |
0 |
|
|
314601 |
126622419 |
1 |
F3O3N8H25C28 |
A3B3C8D25E28 |
-127.01 |
6.38 |
-8.93 |
-1.06 |
0 |
|
|
314602 |
126622421 |
1 |
NO4H21C25 |
AB4C21D25 |
-96.54 |
6.42 |
-9.13 |
-1.8 |
0 |
|
|
314603 |
126622422 |
1 |
OF3N8H13C18 |
AB3C8D13E18 |
-56.13 |
5.22 |
-9.19 |
-1.18 |
0 |
|
|
314604 |
126622423 |
1 |
OF3N7H18C24 |
AB3C7D18E24 |
-19.79 |
7.5 |
-9.09 |
-1.12 |
0 |
|
|
314605 |
126622425 |
1 |
BrFN4O4H20C22 |
ABC4D4E20F22 |
-147.21 |
3.64 |
-8.82 |
-0.76 |
0 |
|
|
314606 |
126622430 |
1 |
SO3C9H16 |
AB3C9D16 |
-131.14 |
1.45 |
-9.07 |
-0.19 |
0 |
|
|
314607 |
126622439 |
1 |
OF3N8H13C18 |
AB3C8D13E18 |
-42.49 |
6.17 |
-9.28 |
-1.25 |
0 |
|
|
314608 |
126622440 |
1 |
BrFSN5O6C24H25 |
ABCD5E6F24G25 |
-202.03 |
9.42 |
-8.68 |
-1.08 |
0 |
|
|
314609 |
126622441 |
1 |
O2F3N8H15C19 |
A2B3C8D15E19 |
-85.49 |
5.15 |
-9.22 |
-1.38 |
0 |
|
|
314610 |
126622442 |
1 |
ON3C12H15 |
AB3C12D15 |
-2.96 |
3.05 |
-8.96 |
0.01 |
0 |
|
|
314611 |
126622446 |
1 |
BrClON3C8H9 |
ABCD3E8F9 |
-14.35 |
6.01 |
-9.92 |
-1.02 |
0 |
|
|
314612 |
126622448 |
2 |
ON4H12C13 |
AB4C12D13 |
70.17 |
7.96 |
-8.86 |
-0.84 |
0 |
|
|
314613 |
126622449 |
1 |
FSN5O6C24H28 |
ABC5D6E24F28 |
-235.73 |
4.44 |
-8.78 |
-0.54 |
0 |
|
|
314614 |
126622453 |
1 |
FN2O4C8H13 |
AB2C4D8E13 |
-190.51 |
8.08 |
-9.94 |
-0.49 |
0 |
|
|
314615 |
126622454 |
1 |
N2O5H36C38 |
A2B5C36D38 |
-128.41 |
4.42 |
-8.91 |
-1.44 |
0 |
|
|
314616 |
126622458 |
1 |
FN7H12C16 |
AB7C12D16 |
100.93 |
3.06 |
-9.32 |
-1.15 |
0 |
|
|
314617 |
126622459 |
1 |
ON2C40H42 |
AB2C40D42 |
62.47 |
2.51 |
-8.87 |
-0.13 |
0 |
|
|
314618 |
126622460 |
1 |
ON2C35H38 |
AB2C35D38 |
38.03 |
3.53 |
-8.92 |
-0.02 |
0 |
|
|
314619 |
126622463 |
1 |
ClNSO3H14C21 |
ABCD3E14F21 |
-17.51 |
3.42 |
-9.21 |
-1.02 |
0 |
|
|
314620 |
126622466 |
1 |
N2O5H30C31 |
A2B5C30D31 |
-151.77 |
3.45 |
-8.97 |
-1.38 |
0 |
|
|
314621 |
126622467 |
1 |
NO3C6H13 |
AB3C6D13 |
-155.01 |
6.28 |
-10.3 |
0.94 |
0 |
|
|
314622 |
126622472 |
1 |
BrFON3C12H15 |
ABCD3E12F15 |
-78.75 |
1.6 |
-9.44 |
-0.63 |
0 |
|
|
314623 |
126622479 |
1 |
BrN3O3H8C9 |
AB3C3D8E9 |
-64.53 |
4.4 |
-9.58 |
-0.82 |
0 |
|
|
314624 |
126622491 |
1 |
N2O4H10C11 |
A2B4C10D11 |
-88.9 |
4.4 |
-9.44 |
-2.22 |
0 |
|
|
314625 |
126622492 |
1 |
O2N5H19C24 |
A2B5C19D24 |
91.49 |
2.3 |
-8.96 |
-1.04 |
0 |
|
|
314626 |
126622493 |
1 |
BrOSC7H13 |
ABCD7E13 |
-41.5 |
2.06 |
-9.09 |
-0.59 |
0 |
|
|
314627 |
126622496 |
1 |
N2O4H28C29 |
A2B4C28D29 |
-93.47 |
5.0 |
-8.84 |
-1.45 |
0 |
|
|
314628 |
126622510 |
1 |
NO2C15H17 |
AB2C15D17 |
-29.32 |
5.63 |
-9.55 |
0.16 |
0 |
|
|
314629 |
126622517 |
1 |
O2F3N5H18C25 |
A2B3C5D18E25 |
-70.01 |
3.1 |
-8.97 |
-1.19 |
0 |
|
|
314630 |
126622521 |
1 |
FON7H18C23 |
ABC7D18E23 |
84.82 |
6.76 |
-8.98 |
-0.97 |
0 |
|
|
314631 |
126622526 |
1 |
ON2C37H42 |
AB2C37D42 |
29.28 |
3.14 |
-8.91 |
-0.19 |
0 |
|
|
314632 |
126622529 |
1 |
NO6C13H15 |
AB6C13D15 |
-156.04 |
6.19 |
-9.84 |
-1.07 |
0 |
|
|
314633 |
126622530 |
1 |
O2F3N8H23C27 |
A2B3C8D23E27 |
-88.8 |
8.75 |
-8.94 |
-1.14 |
0 |
|
|
314634 |
126622531 |
1 |
F2N2O3C13H14 |
A2B2C3D13E14 |
-197.44 |
4.86 |
-9.22 |
-0.86 |
0 |
|
|
314635 |
126622532 |
1 |
ClFON2C12H16 |
ABCD2E12F16 |
-115.07 |
6.23 |
-9.74 |
-0.08 |
0 |
|
|
314636 |
126622533 |
1 |
BrON7H20C24 |
ABC7D20E24 |
110.52 |
7.48 |
-9.04 |
-1.03 |
0 |
|
|
314637 |
126622534 |
1 |
FON2C15H21 |
ABC2D15E21 |
-91.43 |
2.77 |
-9.33 |
0.41 |
0 |
|
|
314638 |
126622535 |
1 |
BrFSN6O6C28H34 |
ABCD6E6F28G34 |
-237.03 |
4.64 |
-8.85 |
-0.93 |
0 |
|
|
314639 |
126622536 |
1 |
ClOF2N2C16H21 |
ABC2D2E16F21 |
-145.67 |
2.43 |
-8.83 |
-0.8 |
0 |
|
|
314640 |
126622537 |
1 |
O2F3N8H25C29 |
A2B3C8D25E29 |
-73.24 |
3.04 |
-8.81 |
-1.1 |
0 |
|
|
314641 |
126622538 |
2 |
OF2N4H10C13 |
AB2C4D10E13 |
-122.26 |
6.36 |
-9.05 |
-1.13 |
0 |
|
|
314642 |
126622539 |
1 |
F4N7H13C19 |
A4B7C13D19 |
-36.05 |
7.33 |
-9.19 |
-1.46 |
-1 |
|
|
314643 |
126622542 |
1 |
SN2O7H17C19 |
AB2C7D17E19 |
-124.77 |
5.33 |
0.0 |
0.0 |
0 |
|
|
314644 |
126622543 |
4 |
OC6H7 |
AB6C7 |
-144.08 |
8.47 |
-9.02 |
-0.98 |
0 |
|
|
314645 |
126622544 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-124.45 |
6.15 |
-8.53 |
-0.76 |
0 |
|
|
314646 |
126622545 |
1 |
FN2O3C13H17 |
AB2C3D13E17 |
-174.27 |
7.57 |
-9.76 |
-0.48 |
0 |
|
|
314647 |
126622546 |
1 |
ClSF2O3N8H27C31 |
ABC2D3E8F27G31 |
-34.41 |
7.74 |
-9.2 |
-1.21 |
0 |
|
|
314648 |
126622547 |
1 |
FON2C14H19 |
ABC2D14E19 |
-86.73 |
2.71 |
-9.38 |
0.35 |
0 |
|
|
314649 |
126622549 |
2 |
NF2O2H5C6 |
AB2C2D5E6 |
-334.27 |
4.68 |
-9.97 |
-1.18 |
0 |