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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71252 |
48414523 |
1 |
O3N4C19H22 |
A3B4C19D22 |
18.17 |
6.0 |
-8.79 |
-0.76 |
0 |
|
|
71253 |
48414524 |
1 |
ON4C16H24 |
AB4C16D24 |
29.21 |
6.4 |
-8.71 |
0.76 |
0 |
|
|
71254 |
48414525 |
1 |
O2N3C19H21 |
A2B3C19D21 |
15.95 |
3.1 |
-8.84 |
-1.07 |
0 |
|
|
71255 |
48414526 |
1 |
ClN2O3C19H23 |
AB2C3D19E23 |
-54.93 |
5.51 |
-8.9 |
-0.39 |
0 |
|
|
71256 |
48414527 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-15.65 |
3.22 |
-8.51 |
0.0 |
0 |
|
|
71257 |
48414528 |
1 |
ON2C16H24 |
AB2C16D24 |
1.92 |
3.06 |
-8.79 |
0.96 |
0 |
|
|
71258 |
48414529 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-53.52 |
5.76 |
-9.14 |
-0.25 |
0 |
|
|
71259 |
48414530 |
1 |
BrON3C21H22 |
ABC3D21E22 |
67.69 |
4.68 |
-9.25 |
-1.06 |
0 |
|
|
71260 |
48414532 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-19.64 |
5.82 |
-9.12 |
-1.05 |
0 |
|
|
71261 |
48414533 |
1 |
SO2N3C20H23 |
AB2C3D20E23 |
27.71 |
4.91 |
-8.73 |
-0.71 |
0 |
|
|
71262 |
48414534 |
2 |
ON2C10H13 |
AB2C10D13 |
-11.34 |
4.94 |
-8.67 |
-0.21 |
0 |
|
|
71263 |
48414535 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-95.62 |
7.12 |
-8.77 |
-0.2 |
0 |
|
|
71264 |
48414536 |
1 |
O2N4C19H22 |
A2B4C19D22 |
8.21 |
1.22 |
-9.04 |
-0.92 |
0 |
|
|
71265 |
48414537 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-8.22 |
2.06 |
-8.42 |
-0.23 |
0 |
|
|
71266 |
48414541 |
1 |
ClN2O3C18H21 |
AB2C3D18E21 |
-52.15 |
3.21 |
-8.83 |
-0.22 |
0 |
|
|
71267 |
48414543 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-13.21 |
3.21 |
-9.11 |
0.27 |
0 |
|
|
71268 |
48414547 |
1 |
OS2N4C16H16 |
AB2C4D16E16 |
104.36 |
4.68 |
-8.82 |
-1.22 |
0 |
|
|
71269 |
48414548 |
1 |
SN3O3C22H29 |
AB3C3D22E29 |
-40.64 |
4.38 |
-8.87 |
-0.75 |
0 |
|
|
71270 |
48414549 |
1 |
SF3N3O3C18H22 |
AB3C3D3E18F22 |
-204.54 |
6.93 |
-8.78 |
-1.31 |
0 |
|
|
71271 |
48414551 |
1 |
SN3O5C19H25 |
AB3C5D19E25 |
-114.88 |
6.68 |
-8.98 |
-0.88 |
0 |
|
|
71272 |
48414555 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-62.94 |
6.95 |
-9.08 |
-0.94 |
0 |
|
|
71273 |
48414556 |
2 |
NOC11H14 |
ABC11D14 |
-29.33 |
3.37 |
-8.85 |
-0.52 |
0 |
|
|
71274 |
48414557 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-55.22 |
3.15 |
-9.02 |
-1.0 |
0 |
|
|
71275 |
48414558 |
1 |
FSN3O3C21H22 |
ABC3D3E21F22 |
-63.57 |
5.86 |
-8.82 |
-1.19 |
0 |
|
|
71276 |
48414559 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-39.44 |
1.35 |
-8.99 |
-0.89 |
0 |
|
|
71277 |
48414560 |
1 |
O2N3C22H25 |
A2B3C22D25 |
4.25 |
0.68 |
-8.79 |
-0.42 |
0 |
|
|
71278 |
48414562 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-13.34 |
6.46 |
-8.79 |
-1.0 |
0 |
|
|
71279 |
48414563 |
1 |
ClSN3O3C17H22 |
ABC3D3E17F22 |
-57.56 |
2.71 |
-8.84 |
-1.06 |
0 |
|
|
71280 |
48414564 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-53.9 |
1.86 |
-8.97 |
-0.85 |
0 |
|
|
71281 |
48414565 |
1 |
O2N4C21H26 |
A2B4C21D26 |
15.25 |
6.37 |
-8.85 |
-0.68 |
0 |
|
|
71282 |
48414567 |
1 |
SN3O4C20H27 |
AB3C4D20E27 |
-85.54 |
1.97 |
-8.97 |
-0.94 |
0 |
|
|
71283 |
48414568 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-22.37 |
2.88 |
-9.06 |
-1.03 |
0 |
|
|
71284 |
48414569 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-22.92 |
1.12 |
-8.99 |
-0.93 |
0 |
|
|
71285 |
48414570 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-54.74 |
6.37 |
-9.08 |
-0.96 |
0 |
|
|
71286 |
48414571 |
1 |
SN3O4C20H27 |
AB3C4D20E27 |
-82.8 |
2.88 |
-9.06 |
-1.01 |
0 |
|
|
71287 |
48414573 |
1 |
SN3O3C21H29 |
AB3C3D21E29 |
-66.32 |
8.42 |
-8.96 |
-0.56 |
0 |
|
|
71288 |
48414574 |
1 |
OSN5C15H23 |
ABC5D15E23 |
46.94 |
5.46 |
-8.42 |
-0.16 |
0 |
|
|
71289 |
48414576 |
1 |
SN3O4C20H23 |
AB3C4D20E23 |
-42.36 |
6.61 |
-9.05 |
-1.01 |
0 |
|
|
71290 |
48414577 |
1 |
FO2N3C17H20 |
AB2C3D17E20 |
-54.62 |
1.11 |
-9.04 |
-0.67 |
0 |
|
|
71291 |
48414578 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-56.8 |
4.22 |
-8.94 |
-0.73 |
0 |
|
|
71292 |
48414580 |
1 |
ClOSN5C18H20 |
ABCD5E18F20 |
75.15 |
2.24 |
-8.78 |
-0.98 |
0 |
|
|
71293 |
48414581 |
1 |
SO2N5C19H23 |
AB2C5D19E23 |
46.46 |
7.77 |
-8.4 |
-0.46 |
0 |
|
|
71294 |
48414582 |
1 |
OS2N5C17H21 |
AB2C5D17E21 |
85.18 |
4.93 |
-8.48 |
-0.68 |
0 |
|
|
71295 |
48414583 |
1 |
OS2N3C17H19 |
AB2C3D17E19 |
70.1 |
3.15 |
-8.78 |
-1.18 |
0 |
|
|
71296 |
48414586 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-23.87 |
3.45 |
-8.86 |
-0.31 |
0 |
|
|
71297 |
48414587 |
1 |
BrFON2C15H16 |
ABCD2E15F16 |
-11.0 |
3.32 |
-8.88 |
-0.96 |
0 |
|
|
71298 |
48414588 |
1 |
ClOF3N4H18C19 |
ABC3D4E18F19 |
-77.88 |
3.76 |
-9.02 |
-1.21 |
0 |
|
|
71299 |
48414589 |
1 |
O3N4C15H18 |
A3B4C15D18 |
31.58 |
5.61 |
-9.22 |
-1.8 |
0 |
|
|
71300 |
48414590 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-51.69 |
2.37 |
-9.15 |
-0.96 |
0 |
|
|
71301 |
48414591 |
1 |
O2N4C23H28 |
A2B4C23D28 |
-5.36 |
4.81 |
-8.89 |
-0.91 |
0 |
|
|
71302 |
48414592 |
1 |
O2N4C19H22 |
A2B4C19D22 |
38.18 |
6.33 |
-9.06 |
-1.02 |
0 |
|
|
71303 |
48414593 |
1 |
N3O3C19H31 |
A3B3C19D31 |
-117.86 |
3.29 |
-8.95 |
0.69 |
0 |
|
|
71304 |
48414595 |
1 |
ClN2O2C17H17 |
AB2C2D17E17 |
15.2 |
3.04 |
-9.03 |
-1.03 |
0 |
|
|
71305 |
48414596 |
1 |
FON2C16H19 |
ABC2D16E19 |
-18.49 |
3.33 |
-8.95 |
-0.5 |
0 |
|
|
71306 |
48414598 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-12.98 |
3.39 |
-8.83 |
-0.11 |
0 |
|
|
71307 |
48414599 |
1 |
ON4C18H20 |
AB4C18D20 |
79.91 |
3.25 |
-9.07 |
-0.28 |
0 |
|
|
71308 |
48414601 |
1 |
SO2N4C17H20 |
AB2C4D17E20 |
59.37 |
3.54 |
-9.05 |
-0.86 |
0 |
|
|
71309 |
48414602 |
1 |
N4O5C18H20 |
A4B5C18D20 |
-40.07 |
1.64 |
-9.12 |
-1.62 |
0 |
|
|
71310 |
48414603 |
1 |
SN4O4C17H24 |
AB4C4D17E24 |
-83.56 |
5.6 |
-9.13 |
-0.45 |
0 |
|
|
71311 |
48414605 |
1 |
FN2O2C21H23 |
AB2C2D21E23 |
-28.46 |
4.53 |
-8.75 |
-0.75 |
0 |
|
|
71312 |
48414606 |
1 |
O3N4C21H24 |
A3B4C21D24 |
4.59 |
3.92 |
-8.92 |
-1.23 |
0 |
|
|
71313 |
48414607 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-28.25 |
2.99 |
-8.98 |
-1.13 |
0 |
|
|
71314 |
48414610 |
1 |
ON4C20H32 |
AB4C20D32 |
9.56 |
4.35 |
-8.76 |
0.93 |
0 |
|
|
71315 |
48414611 |
2 |
ON2C10H11 |
AB2C10D11 |
43.52 |
8.81 |
-8.58 |
-0.75 |
0 |
|
|
71316 |
48414616 |
1 |
ClFON2C15H16 |
ABCD2E15F16 |
-19.38 |
3.51 |
-8.98 |
-0.88 |
0 |
|
|
71317 |
48414617 |
1 |
SO2N4C17H20 |
AB2C4D17E20 |
59.06 |
4.57 |
-8.98 |
-0.97 |
0 |
|
|
71318 |
48414618 |
2 |
ON2C10H12 |
AB2C10D12 |
26.01 |
3.21 |
-8.78 |
-0.86 |
0 |
|
|
71319 |
48414619 |
1 |
ClN2O2C18H21 |
AB2C2D18E21 |
-22.39 |
3.0 |
-8.92 |
-0.23 |
0 |
|
|
71320 |
48414620 |
1 |
O2N4C21H24 |
A2B4C21D24 |
34.17 |
5.13 |
-8.85 |
-0.75 |
0 |
|
|
71321 |
48414622 |
1 |
OS2N3C17H19 |
AB2C3D17E19 |
68.15 |
2.63 |
-8.85 |
-1.24 |
0 |
|
|
71322 |
48414623 |
1 |
SN3O3C20H23 |
AB3C3D20E23 |
1.91 |
4.42 |
-8.63 |
-1.03 |
0 |
|
|
71323 |
48414624 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-46.59 |
8.0 |
-8.7 |
-0.19 |
0 |
|
|
71324 |
48414625 |
1 |
O2N5C17H19 |
A2B5C17D19 |
47.08 |
2.39 |
-9.04 |
-1.15 |
0 |
|
|
71325 |
48414626 |
1 |
ClOSN3C18H18 |
ABCD3E18F18 |
66.72 |
3.15 |
-8.96 |
-1.41 |
0 |
|
|
71326 |
48414627 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-0.18 |
4.31 |
-9.14 |
-1.42 |
0 |
|
|
71327 |
48414628 |
1 |
SN4O4C19H28 |
AB4C4D19E28 |
-82.03 |
2.81 |
-8.74 |
-0.6 |
0 |
|
|
71328 |
48414629 |
1 |
N2O2C13H16 |
A2B2C13D16 |
4.29 |
3.13 |
-8.88 |
-0.03 |
0 |
|
|
71329 |
48414630 |
1 |
O2N3C15H19 |
A2B3C15D19 |
1.48 |
3.3 |
-8.88 |
-0.54 |
0 |
|
|
71330 |
48414631 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-95.14 |
1.02 |
-8.48 |
-0.09 |
0 |
|
|
71331 |
48414633 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-70.19 |
0.97 |
-9.04 |
-0.48 |
0 |
|
|
71332 |
48414634 |
1 |
N3O5C20H27 |
A3B5C20D27 |
-118.77 |
1.5 |
-8.6 |
-0.41 |
0 |
|
|
71333 |
48414636 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-57.82 |
3.77 |
-8.72 |
-0.35 |
0 |
|
|
71334 |
48414644 |
1 |
FSN3O3C20H26 |
ABC3D3E20F26 |
-99.03 |
3.5 |
-8.71 |
-0.7 |
0 |
|
|
71335 |
48414647 |
1 |
SN3O3C22H25 |
AB3C3D22E25 |
-19.4 |
5.75 |
-9.1 |
-1.03 |
0 |
|
|
71336 |
48414650 |
1 |
N4O5C19H22 |
A4B5C19D22 |
-50.98 |
7.74 |
-9.29 |
-1.63 |
0 |
|
|
71337 |
48414651 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-54.98 |
4.49 |
-8.94 |
-0.27 |
0 |
|
|
71338 |
48414652 |
1 |
ON4C19H22 |
AB4C19D22 |
78.83 |
5.26 |
-8.95 |
-0.68 |
0 |
|
|
71339 |
48414653 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-81.05 |
5.37 |
-8.77 |
-0.35 |
0 |
|
|
71340 |
48414655 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-20.48 |
2.29 |
-8.62 |
0.01 |
0 |
|
|
71341 |
48414656 |
1 |
OSN5C19H23 |
ABC5D19E23 |
77.42 |
6.25 |
-8.49 |
-0.57 |
0 |
|
|
71342 |
48414657 |
1 |
OS2N5C16H19 |
AB2C5D16E19 |
90.08 |
4.0 |
-8.76 |
-1.02 |
0 |
|
|
71343 |
48414660 |
1 |
N3O6C18H23 |
A3B6C18D23 |
-75.5 |
4.94 |
-8.93 |
-1.08 |
0 |
|
|
71344 |
48414661 |
1 |
FO2N4C20H21 |
AB2C4D20E21 |
0.35 |
8.71 |
-8.72 |
-1.03 |
0 |
|
|
71345 |
48414662 |
1 |
ClN3O3C18H20 |
AB3C3D18E20 |
-49.17 |
4.79 |
-9.13 |
-0.88 |
0 |
|
|
71346 |
48414663 |
1 |
ClO2N4C19H21 |
AB2C4D19E21 |
42.66 |
3.49 |
-9.08 |
-1.02 |
0 |
|
|
71347 |
48414664 |
1 |
FO2N4C19H21 |
AB2C4D19E21 |
13.47 |
5.29 |
-9.05 |
-0.79 |
0 |
|
|
71348 |
48414665 |
1 |
OSN4C18H20 |
ABC4D18E20 |
74.39 |
4.6 |
-8.36 |
-0.53 |
0 |
|
|
71349 |
48414666 |
1 |
FON4C20H23 |
ABC4D20E23 |
15.81 |
1.81 |
-8.77 |
-0.72 |
0 |
|
|
71350 |
48414668 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
-33.25 |
1.69 |
-8.97 |
-0.48 |
0 |
|
|
71351 |
48414670 |
1 |
OSN2C17H18 |
ABC2D17E18 |
53.27 |
3.89 |
-8.88 |
-0.82 |
0 |