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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
152589 |
56311559 |
1 |
N3O5C27H35 |
A3B5C27D35 |
-171.72 |
7.18 |
-8.26 |
-0.2 |
0 |
|
|
152590 |
56311560 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-1.42 |
2.53 |
-8.59 |
-1.1 |
0 |
|
|
152591 |
56311561 |
1 |
O3N6C23H30 |
A3B6C23D30 |
-57.34 |
5.54 |
-8.53 |
-0.39 |
0 |
|
|
152592 |
56311563 |
1 |
SN3O3C22H27 |
AB3C3D22E27 |
-78.41 |
6.46 |
-8.48 |
-0.34 |
0 |
|
|
152593 |
56311564 |
1 |
SN4O5C22H28 |
AB4C5D22E28 |
-159.19 |
10.05 |
-8.46 |
-0.79 |
0 |
|
|
152594 |
56311565 |
1 |
ClN3O4C23H28 |
AB3C4D23E28 |
-134.21 |
8.43 |
-8.43 |
-0.38 |
0 |
|
|
152595 |
56311566 |
1 |
SF2N3O5C22H25 |
AB2C3D5E22F25 |
-257.41 |
4.13 |
-8.8 |
-0.99 |
0 |
|
|
152596 |
56311567 |
1 |
ClN3O5C23H28 |
AB3C5D23E28 |
-167.86 |
4.13 |
-8.31 |
-0.45 |
0 |
|
|
152597 |
56311568 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-101.36 |
5.93 |
-8.51 |
-0.28 |
0 |
|
|
152598 |
56311569 |
1 |
SN3O5C21H27 |
AB3C5D21E27 |
-156.95 |
7.14 |
-8.62 |
-0.59 |
0 |
|
|
152599 |
56311570 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-104.29 |
5.51 |
-8.53 |
-0.29 |
0 |
|
|
152600 |
56311571 |
1 |
N4O6C23H28 |
A4B6C23D28 |
-130.13 |
4.3 |
-8.58 |
-1.6 |
0 |
|
|
152601 |
56311572 |
1 |
SN3O5C21H31 |
AB3C5D21E31 |
-193.65 |
1.39 |
-8.6 |
-0.37 |
0 |
|
|
152602 |
56311573 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-134.89 |
4.45 |
-8.45 |
-0.26 |
0 |
|
|
152603 |
56311574 |
1 |
N3O6C25H33 |
A3B6C25D33 |
-201.06 |
5.0 |
-8.59 |
-0.4 |
0 |
|
|
152604 |
56311575 |
1 |
N4O5C27H30 |
A4B5C27D30 |
-135.04 |
5.25 |
-8.51 |
-0.64 |
0 |
|
|
152605 |
56311576 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-38.28 |
8.28 |
-8.43 |
-0.93 |
0 |
|
|
152606 |
56311577 |
4 |
NOC6H6 |
ABC6D6 |
-62.29 |
9.26 |
-8.74 |
-1.08 |
0 |
|
|
152607 |
56311578 |
3 |
NO2C8H9 |
AB2C8D9 |
-189.9 |
6.28 |
-8.54 |
-1.0 |
0 |
|
|
152608 |
56311579 |
1 |
N3O5C24H29 |
A3B5C24D29 |
-158.28 |
3.72 |
-8.45 |
-0.3 |
0 |
|
|
152609 |
56311581 |
1 |
F2N3O3C21H23 |
A2B3C3D21E23 |
-173.83 |
3.28 |
-8.62 |
-0.65 |
0 |
|
|
152610 |
56311582 |
2 |
N2O3C12H14 |
A2B3C12D14 |
-200.32 |
1.99 |
-8.44 |
-0.45 |
0 |
|
|
152611 |
56311583 |
1 |
N2O4C25H28 |
A2B4C25D28 |
-117.46 |
8.05 |
-8.66 |
-1.11 |
0 |
|
|
152612 |
56311585 |
1 |
F2N3O3C21H23 |
A2B3C3D21E23 |
-173.27 |
3.77 |
-8.66 |
-0.55 |
0 |
|
|
152613 |
56311586 |
1 |
N3O5C24H31 |
A3B5C24D31 |
-186.84 |
7.63 |
-8.57 |
-0.4 |
0 |
|
|
152614 |
56311589 |
1 |
ClN4O5C21H23 |
AB4C5D21E23 |
-90.77 |
6.44 |
-8.78 |
-1.46 |
0 |
|
|
152615 |
56311591 |
1 |
SN3O4C20H23 |
AB3C4D20E23 |
-105.65 |
6.1 |
-8.91 |
-0.8 |
0 |
|
|
152616 |
56311593 |
1 |
NS2O3C17H21 |
AB2C3D17E21 |
-81.09 |
3.75 |
-8.7 |
-0.72 |
0 |
|
|
152617 |
56311594 |
1 |
N2S2O5C20H24 |
A2B2C5D20E24 |
-129.16 |
2.71 |
-8.84 |
-1.25 |
0 |
|
|
152618 |
56311595 |
1 |
ClSN2O3H17C18 |
ABC2D3E17F18 |
-48.0 |
4.06 |
-8.88 |
-1.42 |
0 |
|
|
152619 |
56311596 |
1 |
NSBr2O3C17H17 |
ABC2D3E17F17 |
-67.7 |
4.43 |
-8.77 |
-1.13 |
0 |
|
|
152620 |
56311597 |
1 |
SN2O4C21H24 |
AB2C4D21E24 |
-99.34 |
1.15 |
-8.74 |
-0.8 |
0 |
|
|
152621 |
56311599 |
1 |
SO3N6C23H26 |
AB3C6D23E26 |
-38.38 |
7.65 |
-8.31 |
-0.88 |
0 |
|
|
152622 |
56311600 |
1 |
SF2O2N3H19C21 |
AB2C2D3E19F21 |
-101.11 |
3.4 |
-8.5 |
-1.02 |
0 |
|
|
152623 |
56311603 |
1 |
ClSO3N4C25H25 |
ABC3D4E25F25 |
-58.8 |
5.1 |
-8.37 |
-0.91 |
0 |
|
|
152624 |
56311610 |
1 |
ON2C21H30 |
AB2C21D30 |
17.12 |
3.94 |
-9.08 |
0.08 |
0 |
|
|
152625 |
56311618 |
1 |
N3O3C23H35 |
A3B3C23D35 |
-140.32 |
4.43 |
-8.31 |
0.13 |
0 |
|
|
152626 |
56311621 |
1 |
ClN3O3C23H28 |
AB3C3D23E28 |
-103.74 |
2.27 |
-8.52 |
-0.33 |
0 |
|
|
152627 |
56311622 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-138.05 |
6.73 |
-8.84 |
-0.3 |
0 |
|
|
152628 |
56311623 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-94.31 |
5.26 |
-8.62 |
-0.18 |
0 |
|
|
152629 |
56311625 |
1 |
ClN2O4C23H27 |
AB2C4D23E27 |
-142.17 |
1.78 |
-8.72 |
-0.39 |
0 |
|
|
152630 |
56311628 |
1 |
N2O2C23H30 |
A2B2C23D30 |
-60.0 |
3.5 |
-8.54 |
0.23 |
0 |
|
|
152631 |
56311629 |
1 |
FON2C21H25 |
ABC2D21E25 |
-56.93 |
1.61 |
-8.88 |
-0.09 |
0 |
|
|
152632 |
56311634 |
1 |
O3N4C24H30 |
A3B4C24D30 |
-90.4 |
4.5 |
-9.09 |
-0.22 |
0 |
|
|
152633 |
56311635 |
1 |
SN4O4C24H32 |
AB4C4D24E32 |
-129.2 |
5.81 |
-8.92 |
-0.78 |
0 |
|
|
152634 |
56311638 |
1 |
ClO2N5C25H28 |
AB2C5D25E28 |
-11.25 |
1.54 |
-8.89 |
-0.55 |
0 |
|
|
152635 |
56311639 |
1 |
O2N5C25H29 |
A2B5C25D29 |
1.0 |
6.17 |
-8.89 |
-0.33 |
0 |
|
|
152636 |
56311643 |
1 |
SN4O4C23H28 |
AB4C4D23E28 |
-119.34 |
7.76 |
-9.15 |
-0.71 |
0 |
|
|
152637 |
56311645 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-68.73 |
2.38 |
-8.74 |
0.07 |
0 |
|
|
152638 |
56311647 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-96.59 |
3.35 |
-9.01 |
-0.72 |
0 |
|
|
152639 |
56311648 |
1 |
O4N5C27H33 |
A4B5C27D33 |
-118.22 |
4.53 |
-9.09 |
-0.4 |
0 |
|
|
152640 |
56311650 |
1 |
ClO2N4C23H25 |
AB2C4D23E25 |
3.33 |
6.26 |
-9.19 |
-1.15 |
0 |
|
|
152641 |
56311653 |
1 |
N4O4C21H28 |
A4B4C21D28 |
-157.46 |
2.85 |
-9.25 |
-0.6 |
0 |
|
|
152642 |
56311656 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-72.36 |
5.45 |
-9.05 |
0.14 |
0 |
|
|
152643 |
56311657 |
1 |
ClO2N3C21H24 |
AB2C3D21E24 |
-58.23 |
2.22 |
-8.9 |
-0.32 |
0 |
|
|
152644 |
56311658 |
1 |
O2Cl3N3C21H22 |
A2B3C3D21E22 |
-71.18 |
1.85 |
-9.15 |
-0.9 |
0 |
|
|
152645 |
56311660 |
1 |
O2N3C27H31 |
A2B3C27D31 |
-41.94 |
3.28 |
-9.0 |
-0.59 |
0 |
|
|
152646 |
56311661 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-69.84 |
2.45 |
-9.24 |
0.18 |
0 |
|
|
152647 |
56311665 |
1 |
O2N3C24H31 |
A2B3C24D31 |
-63.56 |
4.97 |
-8.96 |
0.11 |
0 |
|
|
152648 |
56311668 |
1 |
FSO2N3C24H26 |
ABC2D3E24F26 |
-42.9 |
1.81 |
-8.82 |
-1.25 |
0 |
|
|
152649 |
56311672 |
1 |
OF2N3C22H27 |
AB2C3D22E27 |
-86.35 |
3.39 |
-8.83 |
-0.02 |
0 |
|
|
152650 |
56311674 |
1 |
FON4C22H25 |
ABC4D22E25 |
-19.28 |
4.22 |
-8.7 |
-0.93 |
0 |
|
|
152651 |
56311676 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-75.69 |
5.32 |
-8.62 |
-0.38 |
0 |
|
|
152652 |
56311677 |
1 |
N2O3C23H34 |
A2B3C23D34 |
-132.24 |
3.42 |
-8.69 |
0.19 |
0 |
|
|
152653 |
56311679 |
1 |
N4O5C22H30 |
A4B5C22D30 |
-197.8 |
7.03 |
-8.43 |
-0.44 |
0 |
|
|
152654 |
56311681 |
1 |
N2O2C23H30 |
A2B2C23D30 |
-44.95 |
5.68 |
-8.6 |
0.22 |
0 |
|
|
152655 |
56311682 |
2 |
NOC11H14 |
ABC11D14 |
-55.1 |
3.08 |
-8.69 |
0.18 |
0 |
|
|
152656 |
56311683 |
2 |
NOC11H17 |
ABC11D17 |
-106.34 |
4.65 |
-8.68 |
0.2 |
0 |
|
|
152657 |
56311684 |
1 |
FSN2O4C22H27 |
ABC2D4E22F27 |
-170.88 |
6.34 |
-8.5 |
-0.93 |
0 |
|
|
152658 |
56311685 |
1 |
ClN2S2O3C13H21 |
AB2C2D3E13F21 |
-90.11 |
6.14 |
-9.05 |
-1.22 |
0 |
|
|
152659 |
56311686 |
1 |
O3N4C26H34 |
A3B4C26D34 |
-85.75 |
5.34 |
-8.17 |
-0.3 |
0 |
|
|
152660 |
56311687 |
1 |
N4O4C27H36 |
A4B4C27D36 |
-119.58 |
7.59 |
-8.51 |
-0.27 |
0 |
|
|
152661 |
56311690 |
1 |
N3O5C25H31 |
A3B5C25D31 |
-171.08 |
5.86 |
-8.54 |
-0.88 |
0 |
|
|
152662 |
56311691 |
1 |
O3N4C25H30 |
A3B4C25D30 |
-57.54 |
9.81 |
-8.29 |
-0.65 |
0 |
|
|
152663 |
56311692 |
1 |
ClN3O3C23H28 |
AB3C3D23E28 |
-98.61 |
6.31 |
-8.39 |
-0.4 |
0 |
|
|
152664 |
56311693 |
1 |
N3O5C23H27 |
A3B5C23D27 |
-149.65 |
4.99 |
-8.53 |
-0.29 |
0 |
|
|
152665 |
56311694 |
1 |
SF2N3O5C22H25 |
AB2C3D5E22F25 |
-259.18 |
4.16 |
-8.51 |
-0.96 |
0 |
|
|
152666 |
56311695 |
1 |
F2N3O4C23H27 |
A2B3C4D23E27 |
-234.12 |
4.81 |
-8.52 |
-0.28 |
0 |
|
|
152667 |
56311696 |
1 |
O3N4C23H32 |
A3B4C23D32 |
-94.8 |
5.75 |
-8.57 |
-0.34 |
0 |
|
|
152668 |
56311697 |
1 |
O3N6C24H26 |
A3B6C24D26 |
-16.63 |
7.88 |
-8.49 |
-1.28 |
0 |
|
|
152669 |
56311698 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-102.43 |
4.68 |
-8.56 |
-0.3 |
0 |
|
|
152670 |
56311699 |
1 |
N3O4C24H31 |
A3B4C24D31 |
-132.84 |
4.53 |
-8.33 |
-0.31 |
0 |
|
|
152671 |
56311700 |
2 |
N2O2C12H15 |
A2B2C12D15 |
-129.7 |
3.15 |
-8.67 |
-0.39 |
0 |
|
|
152672 |
56311701 |
1 |
N4O4C21H32 |
A4B4C21D32 |
-183.78 |
3.69 |
-8.6 |
-0.34 |
0 |
|
|
152673 |
56311702 |
1 |
N3O5C25H33 |
A3B5C25D33 |
-171.41 |
3.58 |
-8.47 |
-0.32 |
0 |
|
|
152674 |
56311703 |
1 |
N3O6C25H33 |
A3B6C25D33 |
-199.95 |
8.41 |
-8.14 |
-0.29 |
0 |
|
|
152675 |
56311704 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-16.95 |
3.35 |
-8.51 |
-0.7 |
0 |
|
|
152676 |
56311705 |
1 |
SN4O4C22H28 |
AB4C4D22E28 |
-131.01 |
3.9 |
-8.61 |
-0.35 |
0 |
|
|
152677 |
56311706 |
2 |
N2O2C13H17 |
A2B2C13D17 |
-155.42 |
2.75 |
-8.69 |
-0.46 |
0 |
|
|
152678 |
56311707 |
1 |
N2O5C24H26 |
A2B5C24D26 |
-155.82 |
5.26 |
-8.61 |
-1.12 |
0 |
|
|
152679 |
56311708 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-65.2 |
7.47 |
-8.66 |
-0.71 |
0 |
|
|
152680 |
56311709 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-90.93 |
5.98 |
-8.51 |
-0.27 |
0 |
|
|
152681 |
56311710 |
1 |
ClN3O3C22H26 |
AB3C3D22E26 |
-100.13 |
4.49 |
-8.53 |
-0.29 |
0 |
|
|
152682 |
56311711 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-81.62 |
4.86 |
-8.59 |
-0.34 |
0 |
|
|
152683 |
56311712 |
1 |
F2N3O3C21H23 |
A2B3C3D21E23 |
-171.4 |
3.06 |
-8.68 |
-0.57 |
0 |
|
|
152684 |
56311713 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-120.63 |
6.75 |
-8.42 |
-0.33 |
0 |
|
|
152685 |
56311714 |
1 |
SN4O5C24H32 |
AB4C5D24E32 |
-162.2 |
6.15 |
-8.67 |
-0.69 |
0 |
|
|
152686 |
56311715 |
1 |
FN3O3C23H28 |
AB3C3D23E28 |
-139.14 |
6.7 |
-8.53 |
-0.29 |
0 |
|
|
152687 |
56311716 |
1 |
NSO4C20H25 |
ABC4D20E25 |
-136.02 |
4.46 |
-8.67 |
-0.21 |
0 |
|
|
152688 |
56311718 |
1 |
NSO5C20H25 |
ABC5D20E25 |
-157.3 |
9.77 |
-8.78 |
-0.47 |
0 |