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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
337744 |
127258367 |
1 |
SiN2O5C49H100 |
AB2C5D49E100 |
-521.43 |
5.23 |
-9.22 |
0.85 |
0 |
|
|
337745 |
127258368 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-95.48 |
1.94 |
-9.16 |
-0.34 |
0 |
|
|
337746 |
127258369 |
1 |
SN2O4C18H20 |
AB2C4D18E20 |
-138.05 |
5.33 |
-9.63 |
-0.47 |
0 |
|
|
337747 |
127258370 |
1 |
SN2O4C17H18 |
AB2C4D17E18 |
-135.07 |
7.63 |
-9.84 |
-0.67 |
0 |
|
|
337748 |
127258371 |
1 |
O2N3C20H41 |
A2B3C20D41 |
-158.32 |
0.48 |
-8.93 |
1.0 |
0 |
|
|
337749 |
127258372 |
1 |
O2N3C24H49 |
A2B3C24D49 |
-178.31 |
0.6 |
-8.93 |
0.99 |
0 |
|
|
337750 |
127258373 |
1 |
O2N3C21H43 |
A2B3C21D43 |
-164.23 |
1.74 |
-8.72 |
1.07 |
0 |
|
|
337751 |
127258374 |
1 |
O2N3C25H51 |
A2B3C25D51 |
-182.31 |
1.62 |
-8.9 |
1.1 |
0 |
|
|
337752 |
127258375 |
1 |
O2N3C27H55 |
A2B3C27D55 |
-192.52 |
1.48 |
-8.89 |
1.09 |
0 |
|
|
337753 |
127258376 |
1 |
O2N3C17H35 |
A2B3C17D35 |
-142.27 |
1.72 |
-8.9 |
1.09 |
0 |
|
|
337754 |
127258377 |
1 |
O2N3C23H47 |
A2B3C23D47 |
-171.78 |
1.76 |
-8.9 |
1.1 |
0 |
|
|
337755 |
127258378 |
1 |
SN2O4C15H22 |
AB2C4D15E22 |
-180.24 |
5.26 |
-10.29 |
-0.84 |
0 |
|
|
337756 |
127258379 |
1 |
O2N3C18H37 |
A2B3C18D37 |
-148.22 |
0.81 |
-8.92 |
0.99 |
0 |
|
|
337757 |
127258380 |
1 |
O2N3C19H39 |
A2B3C19D39 |
-152.1 |
1.79 |
-8.9 |
1.1 |
0 |
|
|
337758 |
127258381 |
1 |
N2O3C10H20 |
A2B3C10D20 |
-137.57 |
4.79 |
-10.24 |
-0.21 |
0 |
|
|
337759 |
127258382 |
1 |
SiN2O5C31H64 |
AB2C5D31E64 |
-433.88 |
3.26 |
-9.05 |
0.84 |
0 |
|
|
337760 |
127258383 |
1 |
O4H12C15 |
A4B12C15 |
-118.63 |
5.95 |
-9.12 |
-1.05 |
0 |
|
|
337761 |
127258384 |
1 |
O4C21H36 |
A4B21C36 |
-219.4 |
6.04 |
-9.5 |
-0.4 |
0 |
|
|
337762 |
127258385 |
1 |
BrO4C7H9 |
AB4C7D9 |
-165.61 |
4.69 |
-10.67 |
-0.88 |
0 |
|
|
337763 |
127258386 |
1 |
SeO4C11H12 |
AB4C11D12 |
-153.18 |
2.84 |
-8.64 |
-1.62 |
0 |
|
|
337764 |
127258387 |
1 |
SN3O4C8H15 |
AB3C4D8E15 |
-165.13 |
3.26 |
-9.51 |
-0.55 |
0 |
|
|
337765 |
127258388 |
1 |
O5C14H16 |
A5B14C16 |
-203.77 |
6.09 |
-9.15 |
-0.16 |
0 |
|
|
337766 |
127258389 |
1 |
O5C14H16 |
A5B14C16 |
-204.59 |
8.76 |
-9.2 |
-0.47 |
0 |
|
|
337767 |
127258390 |
1 |
O5C14H16 |
A5B14C16 |
-183.67 |
6.67 |
-9.56 |
-0.23 |
0 |
|
|
337768 |
127258391 |
1 |
N3O5C7H11 |
A3B5C7D11 |
-171.01 |
5.25 |
-10.01 |
-0.67 |
0 |
|
|
337769 |
127258392 |
1 |
N2O4C9H12 |
A2B4C9D12 |
-106.46 |
5.68 |
-9.6 |
-1.02 |
0 |
|
|
337770 |
127258393 |
1 |
S2O4N8C15H34 |
A2B4C8D15E34 |
-60.61 |
2.93 |
-8.75 |
-0.69 |
0 |
|
|
337771 |
127258394 |
1 |
O5C28H50 |
A5B28C50 |
-310.2 |
5.53 |
-10.34 |
0.33 |
0 |
|
|
337772 |
127258395 |
1 |
O5C18H30 |
A5B18C30 |
-268.94 |
6.71 |
-10.59 |
0.35 |
0 |
|
|
337773 |
127258396 |
2 |
O3C4H7 |
A3B4C7 |
-286.18 |
4.05 |
-10.68 |
-0.34 |
0 |
|
|
337774 |
127258397 |
1 |
S2O4C9H16 |
A2B4C9D16 |
-205.52 |
6.64 |
-9.41 |
-0.13 |
0 |
|
|
337775 |
127258398 |
2 |
SO5C9H17 |
AB5C9D17 |
-491.53 |
5.82 |
-10.8 |
-0.99 |
0 |
|
|
337776 |
127258399 |
1 |
SiO8C27H34 |
AB8C27D34 |
-383.15 |
7.55 |
-9.54 |
-0.52 |
0 |
|
|
337777 |
127258400 |
1 |
NO4C16H29 |
AB4C16D29 |
-200.39 |
2.37 |
-8.77 |
0.64 |
0 |
|
|
337778 |
127258401 |
1 |
NO6C16H29 |
AB6C16D29 |
-281.36 |
3.85 |
-9.42 |
0.42 |
0 |
|
|
337779 |
127258402 |
1 |
O5C12H20 |
A5B12C20 |
-236.1 |
4.92 |
-10.22 |
-0.02 |
0 |
|
|
337780 |
127258403 |
2 |
O2C12H13 |
A2B12C13 |
-128.8 |
8.38 |
-9.63 |
-1.16 |
0 |
|
|
337781 |
127258404 |
1 |
BrO4C6H9 |
AB4C6D9 |
-168.15 |
1.48 |
-10.87 |
-2.42 |
0 |
|
|
337782 |
127258405 |
1 |
BrO4C5H7 |
AB4C5D7 |
-160.19 |
1.21 |
-10.96 |
-2.54 |
0 |
|
|
337783 |
127258406 |
1 |
N3O7C27H37 |
A3B7C27D37 |
-258.11 |
4.0 |
-8.04 |
-0.02 |
0 |
|
|
337784 |
127258407 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-66.51 |
3.58 |
-8.19 |
0.28 |
0 |
|
|
337785 |
127258408 |
1 |
N3O5C12H25 |
A3B5C12D25 |
-252.32 |
3.52 |
-9.6 |
0.35 |
0 |
|
|
337786 |
127258409 |
1 |
O5C17H22 |
A5B17C22 |
-216.85 |
1.55 |
-8.92 |
0.1 |
0 |
|
|
337787 |
127258410 |
2 |
O2C10H15 |
A2B10C15 |
-157.04 |
0.97 |
-10.05 |
0.52 |
0 |
|
|
337788 |
127258411 |
1 |
O5C7H12 |
A5B7C12 |
-167.76 |
1.98 |
-10.8 |
-0.73 |
0 |
|
|
337789 |
127258412 |
1 |
SO4C5H6 |
AB4C5D6 |
-149.72 |
5.05 |
-10.45 |
-1.75 |
0 |
|
|
337790 |
127258413 |
1 |
O4C13H22 |
A4B13C22 |
-227.38 |
2.88 |
-10.61 |
0.79 |
0 |
|
|
337791 |
127258414 |
1 |
O4C15H16 |
A4B15C16 |
-137.84 |
4.89 |
-9.62 |
-0.89 |
0 |
|
|
337792 |
127258415 |
1 |
O4C19H32 |
A4B19C32 |
-218.8 |
7.39 |
-9.19 |
0.2 |
0 |
|
|
337793 |
127258416 |
1 |
O4C29H48 |
A4B29C48 |
-247.12 |
0.85 |
-9.67 |
0.01 |
0 |
|
|
337794 |
127258417 |
1 |
O5C16H26 |
A5B16C26 |
-267.81 |
5.88 |
-10.72 |
-0.05 |
0 |
|
|
337795 |
127258418 |
2 |
SO2C5H9 |
AB2C5D9 |
-204.15 |
3.14 |
-9.22 |
-0.22 |
0 |
|
|
337796 |
127258419 |
1 |
NaSO7C18H33 |
ABC7D18E33 |
-316.41 |
32.55 |
-8.28 |
-2.5 |
0 |
|
|
337797 |
127258420 |
1 |
SO7C18H34 |
AB7C18D34 |
-369.99 |
5.13 |
-10.96 |
-0.12 |
0 |
|
|
337798 |
127258421 |
2 |
O2C16H29 |
A2B16C29 |
-311.74 |
6.12 |
-10.62 |
0.24 |
0 |
|
|
337799 |
127258422 |
1 |
ClON2H9C11 |
ABC2D9E11 |
52.63 |
2.09 |
-9.66 |
-1.07 |
0 |
|
|
337800 |
127258423 |
1 |
NO2C15H17 |
AB2C15D17 |
-33.63 |
7.43 |
-9.17 |
-0.52 |
0 |
|
|
337801 |
127258424 |
1 |
ON4C11H12 |
AB4C11D12 |
67.54 |
5.9 |
-8.57 |
-0.74 |
0 |
|
|
337802 |
127258425 |
1 |
SN5H21C22 |
AB5C21D22 |
149.84 |
2.23 |
-8.37 |
-0.97 |
0 |
|
|
337803 |
127258426 |
1 |
ClNOSC17H36 |
ABCDE17F36 |
-132.32 |
2.1 |
-9.05 |
-0.53 |
0 |
|
|
337804 |
127258427 |
1 |
NOSC17H35 |
ABCD17E35 |
-100.44 |
1.3 |
-9.04 |
-0.49 |
0 |
|
|
337805 |
127258428 |
1 |
NOSC12H25 |
ABCD12E25 |
-64.52 |
2.07 |
-8.8 |
-0.36 |
0 |
|
|
337806 |
127258429 |
1 |
OSC9H18 |
ABC9D18 |
-66.33 |
3.39 |
-8.87 |
-0.29 |
0 |
|
|
337807 |
127258430 |
2 |
NOSC7H10 |
ABCD7E10 |
-47.3 |
2.9 |
-8.64 |
-0.64 |
0 |
|
|
337808 |
127258431 |
1 |
OSC13H26 |
ABC13D26 |
-86.79 |
3.21 |
-8.89 |
-0.32 |
0 |
|
|
337809 |
127258432 |
1 |
SO5C8H10 |
AB5C8D10 |
-183.05 |
4.07 |
-9.84 |
-1.32 |
0 |
|
|
337810 |
127258433 |
1 |
OSC10H20 |
ABC10D20 |
-74.72 |
3.32 |
-8.82 |
-0.24 |
0 |
|
|
337811 |
127258434 |
1 |
ON2C10H20 |
AB2C10D20 |
-48.52 |
3.78 |
-9.08 |
0.32 |
0 |
|
|
337812 |
127258435 |
1 |
O2N3C12H17 |
A2B3C12D17 |
1.06 |
1.93 |
-9.36 |
-0.06 |
0 |
|
|
337813 |
127258436 |
1 |
OSiN2C7H18 |
ABC2D7E18 |
-64.09 |
1.61 |
-8.73 |
1.02 |
0 |
|
|
337814 |
127258437 |
1 |
N3O3C11H15 |
A3B3C11D15 |
-10.45 |
2.23 |
-8.78 |
-0.11 |
0 |
|
|
337815 |
127258438 |
1 |
PO4C14H21 |
AB4C14D21 |
-216.41 |
4.36 |
-9.89 |
-0.17 |
0 |
|
|
337816 |
127258439 |
1 |
PO4C14H21 |
AB4C14D21 |
-217.76 |
4.33 |
-9.87 |
-0.13 |
0 |
|
|
337817 |
127258440 |
1 |
PO4C19H23 |
AB4C19D23 |
-186.37 |
3.22 |
-9.28 |
-0.18 |
0 |
|
|
337818 |
127258441 |
1 |
O2C13H22 |
A2B13C22 |
-98.32 |
2.71 |
-9.36 |
0.57 |
0 |
|
|
337819 |
127258442 |
4 |
OC2H4 |
AB2C4 |
-205.93 |
3.22 |
-10.44 |
0.49 |
0 |
|
|
337820 |
127258443 |
1 |
O2C15H30 |
A2B15C30 |
-151.04 |
2.13 |
-10.1 |
1.15 |
0 |
|
|
337821 |
127258444 |
2 |
OC6H12 |
AB6C12 |
-147.08 |
2.08 |
-10.32 |
1.11 |
0 |
|
|
337822 |
127258445 |
2 |
OC6H12 |
AB6C12 |
-144.97 |
1.97 |
-10.58 |
1.02 |
0 |
|
|
337823 |
127258446 |
1 |
NO4C15H27 |
AB4C15D27 |
-208.93 |
4.11 |
-9.06 |
0.76 |
0 |
|
|
337824 |
127258447 |
1 |
SO2N4C7H12 |
AB2C4D7E12 |
-26.47 |
7.28 |
-9.76 |
-1.23 |
0 |
|
|
337825 |
127258448 |
1 |
NO3C14H15 |
AB3C14D15 |
-90.77 |
3.71 |
-8.88 |
-1.09 |
0 |
|
|
337826 |
127258449 |
1 |
S2O3C10H12 |
A2B3C10D12 |
-93.33 |
3.92 |
-8.61 |
-0.89 |
0 |
|
|
337827 |
127258450 |
1 |
S2O3C10H16 |
A2B3C10D16 |
-118.55 |
3.62 |
-8.62 |
-0.23 |
0 |
|
|
337828 |
127258451 |
1 |
S2O3C9H14 |
A2B3C9D14 |
-110.32 |
4.25 |
-8.54 |
-0.21 |
0 |
|
|
337829 |
127258452 |
1 |
S2O5C12H18 |
A2B5C12D18 |
-231.11 |
3.21 |
-9.75 |
-1.19 |
0 |
|
|
337830 |
127258453 |
1 |
NO3C11H17 |
AB3C11D17 |
-126.36 |
3.24 |
-8.79 |
-0.35 |
0 |
|
|
337831 |
127258454 |
2 |
ClO2C6H7 |
AB2C6D7 |
-184.18 |
1.86 |
-9.28 |
-0.57 |
0 |
|
|
337832 |
127258455 |
1 |
O3C10H18 |
A3B10C18 |
-140.91 |
1.98 |
-9.61 |
0.68 |
0 |
|
|
337833 |
127258456 |
1 |
O4C11H14 |
A4B11C14 |
-145.44 |
2.98 |
-10.08 |
-0.61 |
0 |
|
|
337834 |
127258457 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-88.8 |
4.66 |
-8.78 |
-0.03 |
0 |
|
|
337835 |
127258458 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-103.11 |
5.79 |
-8.73 |
0.02 |
0 |
|
|
337836 |
127258459 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-62.08 |
4.93 |
-8.77 |
-0.07 |
0 |
|
|
337837 |
127258460 |
1 |
NO2C10H17 |
AB2C10D17 |
-102.39 |
1.97 |
-8.5 |
0.95 |
0 |
|
|
337838 |
127258461 |
1 |
O3C27H46 |
A3B27C46 |
-198.27 |
0.17 |
-8.81 |
0.35 |
0 |
|
|
337839 |
127258462 |
1 |
ClO3C13H17 |
AB3C13D17 |
-137.38 |
2.61 |
-8.85 |
-0.1 |
0 |
|
|
337840 |
127258463 |
2 |
O2C7H9 |
A2B7C9 |
-156.73 |
3.7 |
-9.3 |
-0.53 |
0 |
|
|
337841 |
127258464 |
1 |
O4C13H18 |
A4B13C18 |
-170.18 |
1.83 |
-8.45 |
-0.04 |
0 |
|
|
337842 |
127258465 |
1 |
NO3C11H19 |
AB3C11D19 |
-133.13 |
2.69 |
-8.64 |
0.57 |
0 |
|
|
337843 |
127258466 |
1 |
NO4C11H17 |
AB4C11D17 |
-169.9 |
4.87 |
-9.28 |
0.0 |
0 |