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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
34550 |
7978654 |
1 |
ClN3O3C21H22 |
AB3C3D21E22 |
-74.48 |
6.5 |
-8.38 |
-0.74 |
0 |
|
|
34551 |
7978655 |
1 |
F2N3O4C21H25 |
A2B3C4D21E25 |
-254.16 |
4.52 |
-9.42 |
-0.81 |
0 |
|
|
34552 |
7978657 |
1 |
ClF2N3O3C17H18 |
AB2C3D3E17F18 |
-184.05 |
6.16 |
-9.04 |
-0.75 |
0 |
|
|
34553 |
7978658 |
1 |
FCl2N3O3C17H18 |
AB2C3D3E17F18 |
-147.42 |
6.19 |
-8.98 |
-0.75 |
0 |
|
|
34554 |
7978659 |
1 |
SN2O2C19H26 |
AB2C2D19E26 |
-79.37 |
1.98 |
-8.98 |
0.01 |
0 |
|
|
34555 |
7978660 |
1 |
ClN3O4C20H26 |
AB3C4D20E26 |
-139.33 |
6.88 |
-8.71 |
-0.6 |
0 |
|
|
34556 |
7978661 |
1 |
FSN2O2C20H25 |
ABC2D2E20F25 |
-120.87 |
2.74 |
-9.03 |
-0.52 |
0 |
|
|
34557 |
7978662 |
1 |
F2N3O4C21H25 |
A2B3C4D21E25 |
-257.31 |
3.43 |
-9.36 |
-0.87 |
0 |
|
|
34558 |
7978663 |
1 |
ClN3O4C19H24 |
AB3C4D19E24 |
-137.97 |
4.02 |
-8.58 |
-0.58 |
0 |
|
|
34559 |
7978664 |
1 |
Cl2N3O4C18H21 |
A2B3C4D18E21 |
-137.91 |
8.44 |
-8.38 |
-0.72 |
0 |
|
|
34560 |
7978668 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-147.28 |
2.69 |
-9.14 |
-0.47 |
0 |
|
|
34561 |
7978671 |
1 |
SN3O3C23H31 |
AB3C3D23E31 |
-132.8 |
6.23 |
-8.84 |
-0.41 |
0 |
|
|
34562 |
7978672 |
1 |
ClN3O3C21H28 |
AB3C3D21E28 |
-109.97 |
4.11 |
-8.93 |
-0.3 |
0 |
|
|
34563 |
7978673 |
1 |
N2O4C23H26 |
A2B4C23D26 |
-105.27 |
1.06 |
-9.07 |
-0.78 |
0 |
|
|
34564 |
7978674 |
1 |
ClN3O3C17H20 |
AB3C3D17E20 |
-92.36 |
5.69 |
-8.75 |
-0.73 |
0 |
|
|
34565 |
7978675 |
1 |
ClN3O3C20H24 |
AB3C3D20E24 |
-120.5 |
3.51 |
-9.59 |
-0.54 |
0 |
|
|
34566 |
7978676 |
1 |
N2O3C26H30 |
A2B3C26D30 |
-83.8 |
1.8 |
-9.08 |
0.03 |
0 |
|
|
34567 |
7978677 |
1 |
ClFN3O3C17H19 |
ABC3D3E17F19 |
-138.81 |
7.0 |
-8.86 |
-0.76 |
0 |
|
|
34568 |
7978678 |
1 |
ClN3O3C20H24 |
AB3C3D20E24 |
-91.03 |
4.02 |
-8.54 |
-0.29 |
0 |
|
|
34569 |
7978679 |
1 |
N3O4C24H33 |
A3B4C24D33 |
-165.81 |
3.42 |
-9.17 |
-0.33 |
0 |
|
|
34570 |
7978680 |
1 |
ClN3O3C21H22 |
AB3C3D21E22 |
-76.59 |
5.14 |
-8.44 |
-0.72 |
0 |
|
|
34571 |
7978681 |
1 |
ClN3O5C19H22 |
AB3C5D19E22 |
-158.96 |
7.16 |
-8.8 |
-0.68 |
0 |
|
|
34572 |
7978682 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-73.83 |
3.01 |
-9.13 |
-1.08 |
0 |
|
|
34573 |
7978683 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-146.39 |
3.86 |
-9.19 |
-0.03 |
0 |
|
|
34574 |
7978684 |
1 |
ClN3O3C19H24 |
AB3C3D19E24 |
-104.87 |
5.89 |
-8.52 |
-0.68 |
0 |
|
|
34575 |
7978685 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-117.33 |
1.08 |
-8.94 |
0.2 |
0 |
|
|
34576 |
7978686 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-108.96 |
6.34 |
-8.63 |
-0.69 |
0 |
|
|
34577 |
7978687 |
1 |
ClN3O3C19H24 |
AB3C3D19E24 |
-110.79 |
4.92 |
-8.47 |
-0.71 |
0 |
|
|
34578 |
7978688 |
1 |
SN2O3C19H24 |
AB2C3D19E24 |
-103.86 |
3.36 |
-9.06 |
-1.1 |
0 |
|
|
34579 |
7978689 |
1 |
ClF3N3O3C17H17 |
AB3C3D3E17F17 |
-223.78 |
5.24 |
-9.27 |
-0.76 |
0 |
|
|
34580 |
7978691 |
1 |
ClN3O3C19H24 |
AB3C3D19E24 |
-110.28 |
5.13 |
-8.33 |
-0.68 |
0 |
|
|
34581 |
7978692 |
1 |
N2O3C24H26 |
A2B3C24D26 |
-74.88 |
2.09 |
-9.16 |
-0.61 |
0 |
|
|
34582 |
7978694 |
1 |
ClN3O4C18H22 |
AB3C4D18E22 |
-126.04 |
4.42 |
-8.49 |
-0.29 |
0 |
|
|
34583 |
7978695 |
1 |
N2O5C24H34 |
A2B5C24D34 |
-201.0 |
2.43 |
-8.61 |
-0.25 |
0 |
|
|
34584 |
7978696 |
1 |
ClN4O4C18H21 |
AB4C4D18E21 |
-135.71 |
9.63 |
-9.12 |
-0.83 |
0 |
|
|
34585 |
7978697 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-94.49 |
1.24 |
-8.94 |
-0.51 |
0 |
|
|
34586 |
7978698 |
1 |
ClN3O5C20H24 |
AB3C5D20E24 |
-179.63 |
6.97 |
-9.85 |
-0.7 |
0 |
|
|
34587 |
7978699 |
1 |
ClN3O5C19H22 |
AB3C5D19E22 |
-177.39 |
6.35 |
-9.19 |
-0.82 |
0 |
|
|
34588 |
7978700 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-74.28 |
0.9 |
-9.25 |
0.06 |
0 |
|
|
34589 |
7978701 |
1 |
ClN3O5C20H24 |
AB3C5D20E24 |
-185.58 |
8.82 |
-9.17 |
-0.81 |
0 |
|
|
34590 |
7978702 |
1 |
FCl2N3O3C17H18 |
AB2C3D3E17F18 |
-146.1 |
6.49 |
-8.97 |
-0.77 |
0 |
|
|
34591 |
7978703 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-160.95 |
3.78 |
-9.26 |
-0.48 |
0 |
|
|
34592 |
7978704 |
1 |
ClN3O3C21H28 |
AB3C3D21E28 |
-115.21 |
5.8 |
-8.98 |
-0.67 |
0 |
|
|
34593 |
7978705 |
2 |
NO2C11H15 |
AB2C11D15 |
-155.39 |
1.08 |
-8.29 |
0.05 |
0 |
|
|
34594 |
7978706 |
1 |
Cl2N3O3C17H19 |
A2B3C3D17E19 |
-102.49 |
7.15 |
-8.8 |
-0.79 |
0 |
|
|
34595 |
7978707 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-75.05 |
0.91 |
-8.84 |
-0.44 |
0 |
|
|
34596 |
7978708 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-117.73 |
7.22 |
-8.73 |
-0.69 |
0 |
|
|
34597 |
7978709 |
1 |
N2O3C24H26 |
A2B3C24D26 |
-72.16 |
0.95 |
-9.05 |
-0.61 |
0 |
|
|
34598 |
7978711 |
1 |
BrO2N3C17H20 |
AB2C3D17E20 |
-50.85 |
3.25 |
-9.59 |
-1.23 |
0 |
|
|
34599 |
7978712 |
1 |
ClFN2O2C19H22 |
ABC2D2E19F22 |
-127.35 |
1.21 |
-9.07 |
-0.53 |
0 |
|
|
34600 |
7978713 |
1 |
ClN3O4C19H22 |
AB3C4D19E22 |
-134.85 |
6.49 |
-9.12 |
-0.81 |
0 |
|
|
34601 |
7978715 |
1 |
ClN3O5C20H24 |
AB3C5D20E24 |
-186.03 |
5.65 |
-9.09 |
-0.72 |
0 |
|
|
34602 |
7978716 |
1 |
ClN2O2C19H23 |
AB2C2D19E23 |
-83.33 |
2.18 |
-9.14 |
-0.39 |
0 |
|
|
34603 |
7978718 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-120.9 |
0.5 |
-9.04 |
0.36 |
0 |
|
|
34604 |
7978719 |
1 |
ClO3N4C18H19 |
AB3C4D18E19 |
-62.05 |
8.61 |
-9.22 |
-0.9 |
0 |
|
|
34605 |
7978720 |
1 |
N2O5C21H28 |
A2B5C21D28 |
-181.03 |
2.88 |
-8.88 |
-0.41 |
0 |
|
|
34606 |
7978721 |
1 |
ClF3N3O3C18H19 |
AB3C3D3E18F19 |
-248.98 |
4.09 |
-9.41 |
-0.66 |
0 |
|
|
34607 |
7978722 |
1 |
N2O3C23H30 |
A2B3C23D30 |
-130.56 |
3.71 |
-9.08 |
-0.05 |
0 |
|
|
34608 |
7978725 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-81.41 |
4.77 |
-8.73 |
-0.06 |
0 |
|
|
34609 |
7978728 |
1 |
ClN4O4C20H25 |
AB4C4D20E25 |
-133.7 |
6.67 |
-9.06 |
-0.83 |
0 |
|
|
34610 |
7978730 |
1 |
ClN4O4C16H25 |
AB4C4D16E25 |
-181.02 |
4.15 |
-9.65 |
-0.27 |
0 |
|
|
34611 |
7978731 |
1 |
N2O2F3C20H23 |
A2B2C3D20E23 |
-235.16 |
3.62 |
-9.14 |
-0.66 |
0 |
|
|
34612 |
7978732 |
1 |
N2O5C23H32 |
A2B5C23D32 |
-191.13 |
3.18 |
-8.57 |
0.17 |
0 |
|
|
34613 |
7978733 |
1 |
ClN4O4C19H23 |
AB4C4D19E23 |
-135.71 |
6.27 |
-9.78 |
-0.68 |
0 |
|
|
34614 |
7978734 |
1 |
ClN2O2C20H23 |
AB2C2D20E23 |
-62.88 |
1.05 |
-9.28 |
-0.87 |
0 |
|
|
34615 |
7978735 |
1 |
ClN4O4C19H23 |
AB4C4D19E23 |
-137.98 |
3.39 |
-9.76 |
-0.65 |
0 |
|
|
34616 |
7978736 |
2 |
NO2C11H14 |
AB2C11D14 |
-137.65 |
3.81 |
-8.75 |
-0.58 |
0 |
|
|
34617 |
7978737 |
1 |
ClN4O4C20H25 |
AB4C4D20E25 |
-141.53 |
6.45 |
-9.84 |
-0.49 |
0 |
|
|
34618 |
7978740 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-114.29 |
0.6 |
-8.84 |
0.17 |
0 |
|
|
34619 |
7978742 |
1 |
SN3O3C20H23 |
AB3C3D20E23 |
-105.73 |
3.15 |
-8.94 |
-1.14 |
0 |
|
|
34620 |
7978743 |
1 |
ClN4O5C17H19 |
AB4C5D17E19 |
-97.7 |
10.53 |
-9.7 |
-1.29 |
0 |
|
|
34621 |
7978744 |
1 |
N3O4C24H29 |
A3B4C24D29 |
-100.49 |
2.89 |
-8.94 |
-0.4 |
0 |
|
|
34622 |
7978745 |
1 |
ClN3O4C19H24 |
AB3C4D19E24 |
-130.46 |
3.13 |
-9.03 |
-0.25 |
0 |
|
|
34623 |
7978746 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-127.4 |
4.78 |
-8.91 |
-1.69 |
0 |
|
|
34624 |
7978747 |
1 |
BrN2O2C19H23 |
AB2C2D19E23 |
-71.48 |
2.15 |
-9.11 |
-0.39 |
0 |
|
|
34625 |
7978748 |
1 |
ClN4O5C19H23 |
AB4C5D19E23 |
-119.03 |
2.14 |
-9.24 |
-1.24 |
0 |
|
|
34626 |
7978749 |
1 |
SN3O3C23H31 |
AB3C3D23E31 |
-130.55 |
6.54 |
-9.06 |
-0.81 |
0 |
|
|
34627 |
7978750 |
1 |
ClO3N5C17H18 |
AB3C5D17E18 |
-37.42 |
3.76 |
-9.73 |
-1.25 |
0 |
|
|
34628 |
7978751 |
1 |
N3O4C24H29 |
A3B4C24D29 |
-102.68 |
1.96 |
-9.28 |
-0.53 |
0 |
|
|
34629 |
7978752 |
1 |
ClN3O5C19H20 |
AB3C5D19E20 |
-153.19 |
3.5 |
-9.18 |
-0.93 |
0 |
|
|
34630 |
7978754 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-89.05 |
2.3 |
-9.45 |
-1.03 |
0 |
|
|
34631 |
7978755 |
1 |
ClO3N5C20H20 |
AB3C5D20E20 |
-38.41 |
7.11 |
-8.99 |
-1.04 |
0 |
|
|
34632 |
7978756 |
1 |
ClN4O5C17H19 |
AB4C5D17E19 |
-101.67 |
3.36 |
-9.61 |
-1.48 |
0 |
|
|
34633 |
7978757 |
1 |
ClN3O3C21H26 |
AB3C3D21E26 |
-123.53 |
3.63 |
-9.38 |
-0.7 |
0 |
|
|
34634 |
7978758 |
1 |
ClN3O3C21H26 |
AB3C3D21E26 |
-125.07 |
2.17 |
-9.49 |
-0.79 |
0 |
|
|
34635 |
7978760 |
1 |
Cl2N3O3C19H23 |
A2B3C3D19E23 |
-111.35 |
2.83 |
-9.54 |
-0.56 |
0 |
|
|
34636 |
7978761 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-31.5 |
4.52 |
-9.2 |
-1.2 |
0 |
|
|
34637 |
7978763 |
1 |
ClFN3O3C20H23 |
ABC3D3E20F23 |
-128.81 |
9.16 |
-9.59 |
-1.02 |
0 |
|
|
34638 |
7978764 |
1 |
SN2O2C20H26 |
AB2C2D20E26 |
-72.67 |
3.51 |
-8.97 |
-0.38 |
0 |
|
|
34639 |
7978765 |
1 |
ClFN3O3C19H21 |
ABC3D3E19F21 |
-127.09 |
8.55 |
-9.04 |
-1.12 |
0 |
|
|
34640 |
7978766 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-55.47 |
0.85 |
-8.96 |
-0.69 |
0 |
|
|
34641 |
7978767 |
1 |
Cl2O3N4C18H20 |
A2B3C4D18E20 |
-74.07 |
7.72 |
-9.09 |
-1.12 |
0 |
|
|
34642 |
7978768 |
1 |
ClN4O4C18H19 |
AB4C4D18E19 |
-44.71 |
8.3 |
-9.53 |
-1.0 |
0 |
|
|
34643 |
7978769 |
1 |
ClN4O4C17H21 |
AB4C4D17E21 |
-77.87 |
2.24 |
-9.35 |
-0.71 |
0 |
|
|
34644 |
7978770 |
1 |
ClN4O4C20H23 |
AB4C4D20E23 |
-90.82 |
3.85 |
-9.43 |
-0.79 |
0 |
|
|
34645 |
7978771 |
1 |
ClN2O4C20H23 |
AB2C4D20E23 |
-108.4 |
2.74 |
-9.18 |
-0.57 |
0 |
|
|
34646 |
7978772 |
1 |
ClN3O3C21H26 |
AB3C3D21E26 |
-91.07 |
1.55 |
-8.55 |
-0.67 |
0 |
|
|
34647 |
7978773 |
1 |
ClO3N4C20H21 |
AB3C4D20E21 |
-19.45 |
6.66 |
-9.48 |
-1.01 |
0 |
|
|
34648 |
7978774 |
1 |
ClF3N3O3C15H19 |
AB3C3D3E15F19 |
-268.17 |
8.05 |
-9.69 |
-1.05 |
0 |
|
|
34649 |
7978775 |
1 |
ClSO3N4C18H19 |
ABC3D4E18F19 |
-52.13 |
2.94 |
-9.08 |
-1.07 |
0 |