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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
23567 |
604698 |
2 |
SO2C3H4 |
AB2C3D4 |
-156.48 |
1.48 |
-8.67 |
-1.53 |
0 |
|
|
23568 |
604699 |
2 |
NOC7H8 |
ABC7D8 |
-23.96 |
4.3 |
-9.79 |
-0.99 |
0 |
|
|
23569 |
604702 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-76.92 |
5.18 |
-9.42 |
-0.76 |
0 |
|
|
23570 |
604705 |
1 |
SN2O2C21H28 |
AB2C2D21E28 |
-56.53 |
5.21 |
-8.96 |
-0.47 |
0 |
|
|
23571 |
604707 |
2 |
NOH4C5 |
ABC4D5 |
31.82 |
6.33 |
-8.72 |
-1.4 |
0 |
|
|
23572 |
604709 |
1 |
O3H8C11 |
A3B8C11 |
-72.38 |
2.74 |
-9.85 |
-1.8 |
0 |
|
|
23573 |
604710 |
1 |
OSH8C11 |
ABC8D11 |
-0.1 |
3.4 |
-8.9 |
-0.86 |
0 |
|
|
23574 |
604711 |
1 |
N2O3H10C12 |
A2B3C10D12 |
-13.01 |
7.6 |
-9.04 |
-1.63 |
0 |
|
|
23575 |
604713 |
2 |
NOH4C5 |
ABC4D5 |
-16.6 |
5.46 |
-9.67 |
-1.19 |
0 |
|
|
23576 |
604716 |
1 |
OC13H16 |
AB13C16 |
-34.08 |
3.64 |
-9.49 |
0.25 |
0 |
|
|
23577 |
604720 |
1 |
FN2H9C11 |
AB2C9D11 |
10.4 |
3.72 |
-9.61 |
-1.02 |
0 |
|
|
23578 |
604721 |
1 |
FN2H9C11 |
AB2C9D11 |
9.13 |
3.56 |
-9.49 |
-0.92 |
0 |
|
|
23579 |
604723 |
1 |
SO4C7H8 |
AB4C7D8 |
-143.84 |
6.25 |
-9.88 |
-0.69 |
0 |
|
|
23580 |
604724 |
1 |
NSeO2H15C17 |
ABC2D15E17 |
-25.88 |
4.09 |
-8.35 |
-1.47 |
0 |
|
|
23581 |
604725 |
2 |
NO2F4C7H10 |
AB2C4D7E10 |
-610.1 |
6.28 |
-10.47 |
-0.1 |
0 |
|
|
23582 |
604726 |
1 |
NC14H21 |
AB14C21 |
18.92 |
1.5 |
-8.63 |
-0.01 |
0 |
|
|
23583 |
604727 |
2 |
NOH4C5 |
ABC4D5 |
-8.46 |
6.33 |
-8.88 |
-1.3 |
0 |
|
|
23584 |
604732 |
1 |
O2N3C12H13 |
A2B3C12D13 |
30.22 |
8.49 |
-8.84 |
-1.03 |
0 |
|
|
23585 |
604743 |
2 |
OC6H6 |
AB6C6 |
-67.76 |
5.66 |
-9.22 |
-0.87 |
0 |
|
|
23586 |
604746 |
2 |
NOH4C5 |
ABC4D5 |
-24.43 |
2.77 |
-9.06 |
-0.48 |
0 |
|
|
23587 |
604748 |
1 |
NO3C14H17 |
AB3C14D17 |
-94.02 |
2.7 |
-9.69 |
-0.54 |
0 |
|
|
23588 |
604752 |
1 |
ON2C11H12 |
AB2C11D12 |
-5.4 |
1.65 |
-8.07 |
-0.28 |
0 |
|
|
23589 |
604754 |
1 |
ON2C11H12 |
AB2C11D12 |
-6.98 |
3.0 |
-8.96 |
-0.89 |
0 |
|
|
23590 |
604755 |
2 |
C7H10 |
A7B10 |
-19.76 |
0.36 |
-8.72 |
0.75 |
0 |
|
|
23591 |
604756 |
1 |
OF3N3H10C11 |
AB3C3D10E11 |
-144.46 |
3.38 |
-9.22 |
-0.91 |
0 |
|
|
23592 |
604759 |
1 |
ClN2O2C7H9 |
AB2C2D7E9 |
-60.77 |
4.06 |
-9.5 |
-0.26 |
0 |
|
|
23593 |
604761 |
1 |
NOSH15C17 |
ABCD15E17 |
36.98 |
4.36 |
-8.7 |
-1.12 |
0 |
|
|
23594 |
604763 |
1 |
NO2C12H13 |
AB2C12D13 |
-70.14 |
4.99 |
-10.22 |
-1.34 |
0 |
|
|
23595 |
604768 |
2 |
NOH4C5 |
ABC4D5 |
-0.59 |
4.22 |
-9.2 |
-1.36 |
0 |
|
|
23596 |
604810 |
1 |
BrO2H5C6 |
AB2C5D6 |
-64.01 |
1.77 |
-9.36 |
-0.28 |
0 |
|
|
23597 |
604813 |
1 |
NCl2O2C9H9 |
AB2C2D9E9 |
-82.51 |
3.64 |
-10.25 |
-1.17 |
0 |
|
|
23598 |
604854 |
1 |
O3C16H16 |
A3B16C16 |
-90.89 |
3.45 |
-8.61 |
-0.77 |
0 |
|
|
23599 |
604945 |
2 |
N2C12H17 |
A2B12C17 |
62.78 |
1.86 |
-8.29 |
0.25 |
0 |
|
|
23600 |
604946 |
2 |
NOC13H20 |
ABC13D20 |
-98.87 |
3.01 |
-8.52 |
0.39 |
0 |
|
|
23601 |
604970 |
1 |
SN2O3C13H18 |
AB2C3D13E18 |
-113.57 |
6.32 |
-8.78 |
-0.23 |
0 |
|
|
23602 |
604979 |
1 |
ON2C15H22 |
AB2C15D22 |
-28.72 |
4.13 |
-9.46 |
0.15 |
0 |
|
|
23603 |
605076 |
1 |
N2O2F3H11C12 |
A2B2C3D11E12 |
-186.21 |
5.46 |
-8.1 |
-0.68 |
0 |
|
|
23604 |
605084 |
1 |
NF3O4C17H20 |
AB3C4D17E20 |
-301.16 |
5.42 |
-9.95 |
-0.46 |
0 |
|
|
23605 |
605085 |
1 |
NH3F4C8 |
AB3C4D8 |
-149.9 |
4.37 |
-10.78 |
-1.59 |
0 |
|
|
23606 |
605093 |
1 |
NSC11H11 |
ABC11D11 |
39.9 |
0.77 |
-8.16 |
-0.56 |
0 |
|
|
23607 |
605094 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-68.28 |
6.99 |
-8.73 |
-0.86 |
0 |
|
|
23608 |
605098 |
1 |
CuO4C14H24 |
AB4C14D24 |
-121.66 |
5.2 |
0.0 |
0.0 |
0 |
|
|
23609 |
605101 |
1 |
O5C33H50 |
A5B33C50 |
-259.81 |
3.0 |
-9.67 |
0.28 |
0 |
|
|
23610 |
605104 |
1 |
SN3C22H23 |
AB3C22D23 |
100.37 |
1.74 |
-8.44 |
-0.49 |
0 |
|
|
23611 |
605106 |
1 |
BrClON2H4C5 |
ABCD2E4F5 |
5.44 |
6.62 |
-9.99 |
-0.58 |
0 |
|
|
23612 |
605128 |
1 |
NO2C11H11 |
AB2C11D11 |
-33.45 |
6.4 |
-8.9 |
-0.82 |
0 |
|
|
23613 |
605139 |
1 |
O2F3H5C8 |
A2B3C5D8 |
-205.96 |
1.04 |
-10.05 |
-1.24 |
0 |
|
|
23614 |
605153 |
1 |
O2Cl6H10C15 |
A2B6C10D15 |
-76.95 |
2.05 |
-9.23 |
-0.9 |
0 |
|
|
23616 |
605217 |
2 |
NOH7C8 |
ABC7D8 |
-17.33 |
3.77 |
-8.79 |
-0.83 |
0 |
|
|
23617 |
605229 |
1 |
ClN2O2H13C16 |
AB2C2D13E16 |
-6.39 |
4.89 |
-8.28 |
-0.73 |
0 |
|
|
23618 |
605255 |
2 |
O2C16H27 |
A2B16C27 |
-283.04 |
2.27 |
-9.72 |
1.1 |
0 |
|
|
23619 |
605271 |
2 |
ON2H3C4 |
AB2C3D4 |
81.21 |
5.56 |
-10.06 |
-2.16 |
0 |
|
|
23620 |
605273 |
1 |
O5H14C15 |
A5B14C15 |
-169.02 |
2.56 |
-8.37 |
-0.66 |
0 |
|
|
23621 |
605274 |
1 |
NO3F5C9H12 |
AB3C5D9E12 |
-393.78 |
4.21 |
-10.19 |
-0.38 |
0 |
|
|
23622 |
605275 |
2 |
ON3C6H7 |
AB3C6D7 |
-29.51 |
4.17 |
-9.34 |
-1.26 |
0 |
|
|
23623 |
605277 |
2 |
OC6H7 |
AB6C7 |
-67.29 |
3.19 |
-8.43 |
0.27 |
0 |
|
|
23624 |
605278 |
1 |
NO6H19C20 |
AB6C19D20 |
-169.79 |
2.85 |
-8.78 |
-0.89 |
0 |
|
|
23625 |
605280 |
1 |
NOC18H27 |
ABC18D27 |
-63.85 |
0.67 |
-8.48 |
0.36 |
0 |
|
|
23626 |
605281 |
1 |
ON2C16H24 |
AB2C16D24 |
2.65 |
5.01 |
-9.46 |
0.46 |
0 |
|
|
23627 |
605282 |
1 |
BrO3C12H13 |
AB3C12D13 |
-119.91 |
3.49 |
-8.75 |
-0.8 |
0 |
|
|
23628 |
605283 |
1 |
ON4C9H10 |
AB4C9D10 |
36.26 |
4.77 |
-8.64 |
-0.58 |
0 |
|
|
23629 |
605284 |
1 |
NO2C17H25 |
AB2C17D25 |
-91.62 |
1.66 |
-9.33 |
-0.1 |
0 |
|
|
23630 |
605286 |
1 |
CFIS |
ABCD |
-0.8 |
0.63 |
-9.72 |
-1.99 |
0 |
|
|
23631 |
605287 |
1 |
O3N4F6H6C11 |
A3B4C6D6E11 |
-393.6 |
3.89 |
-9.37 |
-1.41 |
0 |
|
|
23632 |
605289 |
1 |
NSO2Si2C12H29 |
ABC2D2E12F29 |
-208.4 |
3.47 |
-8.66 |
0.66 |
0 |
|
|
23633 |
605290 |
1 |
NSi2O3C12H31 |
AB2C3D12E31 |
-261.26 |
1.89 |
-9.28 |
1.29 |
0 |
|
|
23634 |
605292 |
2 |
NOC5H5 |
ABC5D5 |
-11.6 |
2.21 |
-8.78 |
-0.75 |
0 |
|
|
23635 |
605293 |
1 |
ON4C9H10 |
AB4C9D10 |
43.85 |
2.29 |
-9.16 |
-0.52 |
0 |
|
|
23636 |
605294 |
2 |
NOC5H5 |
ABC5D5 |
-26.33 |
3.27 |
-9.38 |
-0.88 |
0 |
|
|
23637 |
605296 |
1 |
ON4C9H10 |
AB4C9D10 |
52.7 |
3.57 |
-8.93 |
-0.97 |
0 |
|
|
23638 |
605297 |
1 |
O2N3C10H13 |
A2B3C10D13 |
18.49 |
4.38 |
-9.26 |
-1.14 |
0 |
|
|
23639 |
605298 |
1 |
ON2F3H5C7 |
AB2C3D5E7 |
-157.26 |
1.44 |
-9.84 |
-1.08 |
0 |
|
|
23640 |
605299 |
2 |
C7H11 |
A7B11 |
20.29 |
0.15 |
-9.55 |
1.95 |
0 |
|
|
23641 |
605302 |
1 |
SN2O2C7H14 |
AB2C2D7E14 |
-52.29 |
3.14 |
-9.22 |
-0.25 |
0 |
|
|
23642 |
605304 |
2 |
ON2H3C4 |
AB2C3D4 |
80.21 |
5.52 |
-10.08 |
-1.7 |
0 |
|
|
23643 |
605305 |
2 |
ON2H3C4 |
AB2C3D4 |
94.1 |
4.84 |
-10.76 |
-2.05 |
0 |
|
|
23644 |
605307 |
2 |
C7H11 |
A7B11 |
-46.99 |
0.08 |
-9.93 |
3.9 |
0 |
|
|
23645 |
605308 |
1 |
NO2Cl3C12H12 |
AB2C3D12E12 |
-100.35 |
3.8 |
-9.4 |
-0.56 |
0 |
|
|
23646 |
605309 |
1 |
NCl2O2C18H19 |
AB2C2D18E19 |
-62.09 |
5.02 |
-8.89 |
-0.37 |
0 |
|
|
23647 |
605311 |
1 |
FeO4H10C12 |
AB4C10D12 |
20.82 |
3.68 |
-7.53 |
0.77 |
-4 |
|
|
23648 |
605312 |
1 |
OC9H10 |
AB9C10 |
-12.99 |
3.1 |
-10.04 |
0.66 |
-4 |
|
|
23649 |
605313 |
1 |
NO2C12H17 |
AB2C12D17 |
-51.62 |
2.67 |
-8.75 |
-0.43 |
0 |
|
|
23650 |
605314 |
1 |
FN2O2H15C18 |
AB2C2D15E18 |
-52.15 |
4.07 |
-8.98 |
-1.45 |
0 |
|
|
23651 |
605316 |
2 |
SH3C5 |
AB3C5 |
59.38 |
1.52 |
-8.4 |
-0.64 |
0 |
|
|
23652 |
605318 |
1 |
S3C7H10 |
A3B7C10 |
25.48 |
0.88 |
-8.54 |
-0.63 |
0 |
|
|
23653 |
605322 |
2 |
OC6H7 |
AB6C7 |
-76.43 |
1.83 |
-9.09 |
0.45 |
0 |
|
|
23654 |
605324 |
1 |
ON4C9H10 |
AB4C9D10 |
67.86 |
4.5 |
-9.37 |
-0.75 |
0 |
|
|
23655 |
605325 |
1 |
N2O3H10C11 |
A2B3C10D11 |
-41.61 |
3.72 |
-10.09 |
-1.04 |
0 |
|
|
23656 |
605328 |
2 |
C7H10 |
A7B10 |
35.06 |
0.08 |
-7.7 |
0.71 |
-4 |
|
|
23657 |
605329 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-54.87 |
3.76 |
-8.73 |
-0.5 |
0 |
|
|
23658 |
605330 |
1 |
OCl2C4N4 |
AB2C4D4 |
111.88 |
2.65 |
-11.0 |
-2.64 |
0 |
|
|
23659 |
605331 |
2 |
ClO3C6H6 |
AB3C6D6 |
-225.37 |
2.98 |
-9.38 |
-1.16 |
0 |
|
|
23660 |
605332 |
1 |
N2O3H6C9 |
A2B3C6D9 |
7.06 |
4.1 |
-9.58 |
-1.76 |
0 |
|
|
23661 |
605333 |
1 |
ON2S2C6H10 |
AB2C2D6E10 |
-19.62 |
1.79 |
-8.6 |
-0.64 |
0 |
|
|
23662 |
605348 |
1 |
NO2C12H17 |
AB2C12D17 |
-14.09 |
5.01 |
-10.14 |
-1.14 |
0 |
|
|
23663 |
605349 |
2 |
O2H3C5 |
A2B3C5 |
-86.74 |
1.73 |
-9.87 |
-1.83 |
0 |
|
|
23664 |
605350 |
1 |
O2N3F6H7C9 |
A2B3C6D7E9 |
-350.75 |
4.82 |
-10.37 |
-1.68 |
0 |
|
|
23665 |
605351 |
2 |
OC6H7 |
AB6C7 |
-62.17 |
3.81 |
-8.7 |
0.23 |
0 |
|
|
23666 |
605353 |
1 |
OCl3N3H12C14 |
AB3C3D12E14 |
-24.33 |
4.35 |
-9.26 |
-0.98 |
0 |
|
|
23667 |
605354 |
2 |
OSN3C5H8 |
ABC3D5E8 |
13.57 |
7.47 |
-9.45 |
-0.97 |
0 |