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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
362489 |
127308028 |
1 |
NO3C20H33 |
AB3C20D33 |
-136.12 |
3.18 |
-9.26 |
0.88 |
0 |
|
|
362490 |
127308029 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-54.71 |
3.84 |
-8.51 |
2.27 |
0 |
|
|
362491 |
127308030 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-170.33 |
2.94 |
-8.74 |
0.0 |
0 |
|
|
362492 |
127308031 |
1 |
ClNO3C17H24 |
ABC3D17E24 |
-40.44 |
2.37 |
-8.9 |
-0.15 |
0 |
|
|
362493 |
127308032 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-159.01 |
5.95 |
-9.24 |
1.09 |
0 |
|
|
362494 |
127308033 |
1 |
SN2O5C16H28 |
AB2C5D16E28 |
-231.6 |
7.76 |
-9.42 |
0.5 |
0 |
|
|
362495 |
127308034 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-119.82 |
1.31 |
-8.77 |
1.1 |
0 |
|
|
362496 |
127308035 |
1 |
ON3C14H27 |
AB3C14D27 |
-68.17 |
4.53 |
-8.35 |
1.11 |
0 |
|
|
362497 |
127308036 |
1 |
ON3C12H23 |
AB3C12D23 |
-52.41 |
2.67 |
-8.65 |
1.06 |
0 |
|
|
362498 |
127308037 |
2 |
ON2C8H13 |
AB2C8D13 |
-63.07 |
2.99 |
-9.1 |
-0.11 |
0 |
|
|
362499 |
127308038 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-62.67 |
8.1 |
-8.46 |
0.13 |
0 |
|
|
362500 |
127308039 |
1 |
O2N3C24H35 |
A2B3C24D35 |
-93.77 |
3.16 |
-9.13 |
0.26 |
0 |
|
|
362501 |
127308040 |
1 |
O3N4C20H32 |
A3B4C20D32 |
-120.18 |
5.64 |
-8.8 |
0.98 |
0 |
|
|
362502 |
127308041 |
1 |
O3N4C15H24 |
A3B4C15D24 |
-131.36 |
5.57 |
-8.83 |
-0.06 |
0 |
|
|
362503 |
127308042 |
4 |
NOC5H6 |
ABC5D6 |
-62.3 |
4.21 |
-8.91 |
-0.87 |
0 |
|
|
362504 |
127308043 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-20.19 |
3.17 |
-9.03 |
-1.28 |
0 |
|
|
362505 |
127308044 |
2 |
ON2C8H13 |
AB2C8D13 |
-47.54 |
6.22 |
-9.15 |
-0.16 |
0 |
|
|
362506 |
127308045 |
1 |
F2N3O4C19H23 |
A2B3C4D19E23 |
-252.33 |
13.95 |
-8.49 |
-0.08 |
0 |
|
|
362507 |
127308046 |
1 |
ON6C15H24 |
AB6C15D24 |
43.65 |
4.95 |
-8.99 |
-0.34 |
0 |
|
|
362508 |
127308047 |
1 |
O2N3C24H35 |
A2B3C24D35 |
-107.17 |
1.85 |
-9.01 |
0.35 |
0 |
|
|
362509 |
127308048 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-128.3 |
5.47 |
-9.31 |
0.48 |
0 |
|
|
362510 |
127308049 |
2 |
ON2C10H13 |
AB2C10D13 |
-4.71 |
5.16 |
-8.81 |
-0.32 |
0 |
|
|
362511 |
127308050 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-148.13 |
5.57 |
-9.24 |
0.82 |
0 |
|
|
362512 |
127308052 |
2 |
ON2C8H13 |
AB2C8D13 |
-47.75 |
6.6 |
-8.94 |
-0.16 |
0 |
|
|
362513 |
127308053 |
1 |
O3N4C20H36 |
A3B4C20D36 |
-156.01 |
4.12 |
-8.62 |
0.88 |
0 |
|
|
362514 |
127308054 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-5.12 |
6.39 |
-9.17 |
-0.86 |
0 |
|
|
362515 |
127308055 |
1 |
O2N5C18H25 |
A2B5C18D25 |
-25.03 |
2.66 |
-8.55 |
-0.62 |
0 |
|
|
362516 |
127308056 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-165.37 |
4.62 |
-9.1 |
0.86 |
0 |
|
|
362517 |
127308081 |
1 |
O2N3C23H33 |
A2B3C23D33 |
-75.7 |
2.88 |
-9.1 |
0.36 |
0 |
|
|
362518 |
127308082 |
1 |
ON5C17H27 |
AB5C17D27 |
2.32 |
5.86 |
-8.91 |
0.49 |
0 |
|
|
362519 |
127308083 |
1 |
O3N4C16H26 |
A3B4C16D26 |
-125.15 |
5.48 |
-8.88 |
0.06 |
0 |
|
|
362520 |
127308084 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-114.56 |
7.39 |
-8.94 |
-0.12 |
0 |
|
|
362521 |
127308085 |
2 |
ON2C7H11 |
AB2C7D11 |
-37.75 |
4.35 |
-9.24 |
-0.27 |
0 |
|
|
362522 |
127308086 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-159.31 |
2.78 |
-9.19 |
0.88 |
0 |
|
|
362523 |
127308087 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-119.14 |
7.52 |
-8.16 |
0.49 |
0 |
|
|
362524 |
127308088 |
1 |
O2N3C20H33 |
A2B3C20D33 |
-115.01 |
3.02 |
-9.13 |
0.9 |
0 |
|
|
362525 |
127308096 |
1 |
ON6C18H24 |
AB6C18D24 |
55.75 |
4.95 |
-9.03 |
-0.91 |
0 |
|
|
362526 |
127308100 |
1 |
SO2N4C17H22 |
AB2C4D17E22 |
8.31 |
4.89 |
-9.12 |
-0.82 |
0 |
|
|
362527 |
127308101 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-157.17 |
4.69 |
-9.15 |
0.88 |
0 |
|
|
362528 |
127308102 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-78.83 |
7.61 |
-7.85 |
0.73 |
0 |
|
|
362529 |
127308103 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-42.15 |
8.91 |
-8.95 |
-0.56 |
0 |
|
|
362530 |
127308104 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-154.4 |
4.62 |
-9.2 |
0.73 |
0 |
|
|
362531 |
127308146 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-50.62 |
5.42 |
-8.69 |
0.17 |
0 |
|
|
362532 |
127308147 |
1 |
SO2N5C18H21 |
AB2C5D18E21 |
4.42 |
0.92 |
-8.77 |
-0.65 |
0 |
|
|
362533 |
127308148 |
1 |
BrO2N4C15H17 |
AB2C4D15E17 |
-17.3 |
4.87 |
-9.28 |
-0.51 |
0 |
|
|
362534 |
127308149 |
2 |
ON2C9H12 |
AB2C9D12 |
-41.25 |
2.1 |
-8.76 |
0.1 |
0 |
|
|
362535 |
127308150 |
1 |
ON3C16H23 |
AB3C16D23 |
-32.55 |
3.5 |
-8.79 |
0.28 |
0 |
|
|
362536 |
127308151 |
1 |
ON3C16H23 |
AB3C16D23 |
-35.58 |
3.08 |
-8.4 |
0.42 |
0 |
|
|
362537 |
127308152 |
2 |
ON2C10H14 |
AB2C10D14 |
-61.16 |
1.46 |
-8.81 |
0.34 |
0 |
|
|
362538 |
127308153 |
1 |
ON3C17H25 |
AB3C17D25 |
-43.03 |
3.45 |
-8.66 |
0.42 |
0 |
|
|
362539 |
127308154 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-60.48 |
5.57 |
-8.81 |
-0.07 |
0 |
|
|
362540 |
127308155 |
1 |
ClON3C15H20 |
ABC3D15E20 |
-35.94 |
4.93 |
-8.73 |
-0.14 |
0 |
|
|
362541 |
127308156 |
1 |
ClON3C15H20 |
ABC3D15E20 |
-30.96 |
5.93 |
-8.97 |
-0.14 |
0 |
|
|
362542 |
127308157 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-138.35 |
9.63 |
-9.11 |
-0.6 |
0 |
|
|
362543 |
127308158 |
1 |
Cl2O2N4C17H20 |
A2B2C4D17E20 |
-56.19 |
3.96 |
-8.97 |
-0.76 |
0 |
|
|
362544 |
127308159 |
1 |
ClON3C15H20 |
ABC3D15E20 |
-36.94 |
2.9 |
-8.65 |
-0.1 |
0 |
|
|
362545 |
127308160 |
1 |
ON5C17H19 |
AB5C17D19 |
58.29 |
8.81 |
-8.93 |
-0.14 |
0 |
|
|
362546 |
127308161 |
1 |
OF3N3C14H16 |
AB3C3D14E16 |
-151.09 |
4.47 |
-9.05 |
-0.62 |
0 |
|
|
362547 |
127308162 |
1 |
OF2N3C14H17 |
AB2C3D14E17 |
-110.81 |
4.21 |
-8.98 |
-0.38 |
0 |
|
|
362548 |
127308163 |
1 |
OF2N3C14H17 |
AB2C3D14E17 |
-105.56 |
3.05 |
-8.83 |
-0.4 |
0 |
|
|
362549 |
127308170 |
1 |
FO2N4C16H19 |
AB2C4D16E19 |
-70.76 |
7.02 |
-8.98 |
-0.21 |
0 |
|
|
362550 |
127308171 |
1 |
O2S2N7C14H21 |
A2B2C7D14E21 |
22.98 |
4.99 |
-8.4 |
-0.72 |
0 |
|
|
362551 |
127308172 |
1 |
O2S3N5C12H15 |
A2B3C5D12E15 |
5.05 |
5.54 |
-8.41 |
-0.91 |
0 |
|
|
362552 |
127308207 |
1 |
SO2N5C12H15 |
AB2C5D12E15 |
-0.12 |
2.03 |
-8.73 |
-0.51 |
0 |
|
|
362553 |
127308208 |
1 |
ON5C12H19 |
AB5C12D19 |
2.25 |
2.23 |
-8.5 |
0.7 |
0 |
|
|
362554 |
127308209 |
1 |
ON4C15H24 |
AB4C15D24 |
-30.47 |
2.51 |
-8.42 |
0.8 |
0 |
|
|
362555 |
127308210 |
1 |
O2N6C13H18 |
A2B6C13D18 |
5.56 |
3.23 |
-8.78 |
0.33 |
0 |
|
|
362556 |
127308211 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-79.34 |
5.99 |
-8.94 |
-0.54 |
0 |
|
|
362557 |
127308212 |
1 |
SO2N6C18H28 |
AB2C6D18E28 |
-33.34 |
6.12 |
-9.26 |
-0.58 |
0 |
|
|
362558 |
127308219 |
1 |
SO2N6C17H18 |
AB2C6D17E18 |
8.98 |
10.52 |
-8.66 |
-0.75 |
0 |
|
|
362559 |
127308220 |
1 |
F2O4N5C17H19 |
A2B4C5D17E19 |
-178.14 |
7.52 |
-9.06 |
-0.57 |
0 |
|
|
362560 |
127308221 |
2 |
FN2O2C9H10 |
AB2C2D9E10 |
-212.07 |
5.84 |
-8.99 |
-0.82 |
0 |
|
|
362561 |
127308222 |
1 |
F2O3N4C17H18 |
A2B3C4D17E18 |
-164.25 |
6.39 |
-9.02 |
-0.53 |
0 |
|
|
362562 |
127308274 |
1 |
FO2N4C19H21 |
AB2C4D19E21 |
-61.47 |
6.74 |
-8.68 |
-0.4 |
0 |
|
|
362563 |
127308275 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-59.26 |
4.19 |
-8.41 |
-0.06 |
0 |
|
|
362564 |
127308276 |
1 |
SO3N5C18H23 |
AB3C5D18E23 |
-74.97 |
8.85 |
-8.66 |
-0.12 |
0 |
|
|
362565 |
127308277 |
2 |
ON2C10H12 |
AB2C10D12 |
-23.37 |
4.31 |
-8.49 |
-0.23 |
0 |
|
|
362566 |
127308278 |
1 |
ClFON3C14H17 |
ABCD3E14F17 |
-74.87 |
6.36 |
-8.94 |
-0.38 |
0 |
|
|
362567 |
127308279 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-94.09 |
5.31 |
-9.26 |
-0.44 |
0 |
|
|
362568 |
127308280 |
1 |
ClON4C22H23 |
ABC4D22E23 |
26.42 |
5.97 |
-9.02 |
-0.41 |
0 |
|
|
362569 |
127308301 |
1 |
OF3N5C18H20 |
AB3C5D18E20 |
-129.05 |
5.92 |
-9.02 |
-0.61 |
0 |
|
|
362570 |
127308302 |
1 |
FON4C22H31 |
ABC4D22E31 |
-76.85 |
3.79 |
-8.73 |
-0.31 |
0 |
|
|
362571 |
127308303 |
1 |
O2N4C19H34 |
A2B4C19D34 |
-119.49 |
3.41 |
-8.56 |
1.0 |
0 |
|
|
362572 |
127308304 |
2 |
ON3C9H16 |
AB3C9D16 |
-44.54 |
3.8 |
-8.82 |
-0.45 |
0 |
|
|
362573 |
127308305 |
1 |
ON5C18H31 |
AB5C18D31 |
-33.94 |
3.83 |
-8.88 |
0.84 |
0 |
|
|
362574 |
127308306 |
1 |
ON6C14H24 |
AB6C14D24 |
0.05 |
2.9 |
-8.79 |
0.12 |
0 |
|
|
362575 |
127308307 |
1 |
O2N5C17H29 |
A2B5C17D29 |
-59.42 |
2.2 |
-8.88 |
0.62 |
0 |
|
|
362576 |
127308308 |
1 |
OSN5C18H31 |
ABC5D18E31 |
-30.49 |
2.22 |
-8.64 |
-0.34 |
0 |
|
|
362577 |
127308309 |
1 |
O2N4C21H22 |
A2B4C21D22 |
7.46 |
6.55 |
-8.97 |
-0.57 |
0 |
|
|
362578 |
127308310 |
1 |
ClN3O3C19H26 |
AB3C3D19E26 |
-114.19 |
3.86 |
-8.8 |
-0.45 |
0 |
|
|
362579 |
127308311 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-81.53 |
3.66 |
-8.5 |
0.07 |
0 |
|
|
362580 |
127308312 |
1 |
OSN4C19H24 |
ABC4D19E24 |
37.31 |
8.24 |
-8.62 |
-0.95 |
0 |
|
|
362581 |
127308313 |
1 |
OSN5C16H19 |
ABC5D16E19 |
42.19 |
4.4 |
-8.64 |
-1.04 |
0 |
|
|
362582 |
127308314 |
2 |
ON2C11H12 |
AB2C11D12 |
-3.22 |
8.85 |
-8.9 |
-0.53 |
0 |
|
|
362583 |
127308315 |
1 |
OSF2N7C12H13 |
ABC2D7E12F13 |
-8.95 |
8.74 |
-9.79 |
-1.69 |
0 |
|
|
362584 |
127308326 |
1 |
OSN6C18H26 |
ABC6D18E26 |
8.5 |
5.51 |
-9.07 |
-0.54 |
0 |
|
|
362585 |
127308327 |
1 |
O2N4C21H22 |
A2B4C21D22 |
5.37 |
7.98 |
-8.91 |
-0.6 |
0 |
|
|
362586 |
127308343 |
1 |
O3N5C14H19 |
A3B5C14D19 |
-29.31 |
3.61 |
-9.26 |
0.02 |
0 |
|
|
362587 |
127308344 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-19.01 |
4.29 |
-8.74 |
-0.69 |
0 |
|
|
362588 |
127308345 |
1 |
OS2N4C17H18 |
AB2C4D17E18 |
23.16 |
5.06 |
-8.65 |
-0.78 |
0 |