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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
424517 |
135122983 |
1 |
BrN4O4H23C28 |
AB4C4D23E28 |
45.53 |
4.68 |
-8.98 |
-1.6 |
0 |
|
|
424518 |
135122984 |
1 |
N2O5C17H20 |
A2B5C17D20 |
-142.07 |
6.26 |
-9.84 |
-1.42 |
0 |
|
|
424519 |
135122985 |
1 |
OF2N3H21C27 |
AB2C3D21E27 |
-12.07 |
2.11 |
-8.93 |
-0.96 |
0 |
|
|
424520 |
135122990 |
2 |
ON2C12H13 |
AB2C12D13 |
22.41 |
2.27 |
-8.54 |
-0.65 |
0 |
|
|
424521 |
135122994 |
1 |
SN4O5C28H36 |
AB4C5D28E36 |
-144.34 |
6.55 |
-9.26 |
-0.58 |
0 |
|
|
424522 |
135122995 |
1 |
SN4O8C39H40 |
AB4C8D39E40 |
-194.92 |
2.04 |
-9.76 |
-1.23 |
0 |
|
|
424523 |
135122996 |
1 |
BrINO2H17C19 |
ABCD2E17F19 |
-6.51 |
2.0 |
-8.8 |
-1.26 |
0 |
|
|
424524 |
135122998 |
1 |
SN4O8C40H42 |
AB4C8D40E42 |
-208.8 |
5.36 |
-9.31 |
-0.75 |
0 |
|
|
424525 |
135123000 |
1 |
BrNF2H6C10 |
ABC2D6E10 |
-40.88 |
1.88 |
-9.08 |
-0.89 |
0 |
|
|
424526 |
135123001 |
1 |
O3N5H15C19 |
A3B5C15D19 |
63.89 |
3.61 |
-9.55 |
-1.68 |
0 |
|
|
424527 |
135123013 |
1 |
SN5O8C39H41 |
AB5C8D39E41 |
-184.87 |
9.74 |
-9.25 |
-1.43 |
0 |
|
|
424528 |
135123015 |
1 |
SF3N4O5C30H37 |
AB3C4D5E30F37 |
-307.25 |
9.83 |
-9.33 |
-0.96 |
0 |
|
|
424529 |
135123016 |
1 |
O2N3C7H11 |
A2B3C7D11 |
-48.17 |
4.39 |
-10.51 |
-0.16 |
0 |
|
|
424530 |
135123019 |
1 |
F2N3O5C26H31 |
A2B3C5D26E31 |
-222.1 |
5.19 |
-8.72 |
-0.14 |
0 |
|
|
424531 |
135123025 |
1 |
O4C17H22 |
A4B17C22 |
-133.14 |
1.63 |
-9.26 |
0.14 |
0 |
|
|
424532 |
135123029 |
1 |
SN3O5C24H29 |
AB3C5D24E29 |
-144.59 |
3.93 |
-8.22 |
-0.72 |
0 |
|
|
424533 |
135123033 |
1 |
SN2C9H12 |
AB2C9D12 |
26.28 |
1.2 |
-8.58 |
-0.47 |
0 |
|
|
424534 |
135123043 |
1 |
SN2C9H12 |
AB2C9D12 |
26.95 |
1.31 |
-8.56 |
-0.45 |
0 |
|
|
424535 |
135123046 |
1 |
SN4O6C28H36 |
AB4C6D28E36 |
-182.91 |
4.77 |
-9.49 |
-0.64 |
0 |
|
|
424536 |
135123050 |
1 |
SO2F3N3C16H18 |
AB2C3D3E16F18 |
-207.15 |
5.68 |
-8.73 |
-0.87 |
0 |
|
|
424537 |
135123053 |
1 |
ClNOC13H20 |
ABCD13E20 |
-67.5 |
7.03 |
-9.44 |
0.29 |
0 |
|
|
424538 |
135123056 |
1 |
N2O3C12H16 |
A2B3C12D16 |
-108.19 |
4.77 |
-9.88 |
-0.76 |
0 |
|
|
424539 |
135123057 |
1 |
NP2O10C16H29 |
AB2C10D16E29 |
-430.46 |
6.03 |
-9.86 |
-0.92 |
0 |
|
|
424540 |
135123058 |
1 |
NP2O9C15H27 |
AB2C9D15E27 |
-404.6 |
8.62 |
-9.46 |
-0.43 |
0 |
|
|
424541 |
135123059 |
1 |
NP2O9C19H35 |
AB2C9D19E35 |
-443.91 |
11.6 |
-9.18 |
0.1 |
0 |
|
|
424542 |
135123060 |
1 |
ClF4O4N5C30H30 |
AB4C4D5E30F30 |
-271.49 |
3.62 |
-9.08 |
-0.93 |
0 |
|
|
424543 |
135123064 |
1 |
N3O5C19H27 |
A3B5C19D27 |
-156.61 |
6.83 |
-9.35 |
-0.12 |
0 |
|
|
424544 |
135123065 |
1 |
SN5O8C36H49 |
AB5C8D36E49 |
-287.2 |
8.23 |
-9.29 |
-0.61 |
0 |
|
|
424545 |
135123073 |
1 |
SN4O6C29H38 |
AB4C6D29E38 |
-179.02 |
13.61 |
-9.02 |
-0.51 |
0 |
|
|
424546 |
135123075 |
1 |
BrO2N3H26C29 |
AB2C3D26E29 |
31.87 |
2.89 |
-8.7 |
-0.78 |
0 |
|
|
424547 |
135123087 |
1 |
SN4O5C27H34 |
AB4C5D27E34 |
-180.46 |
7.26 |
-8.9 |
-0.68 |
0 |
|
|
424548 |
135123089 |
1 |
ClON2C8H17 |
ABC2D8E17 |
-92.39 |
7.31 |
-9.52 |
0.77 |
0 |
|
|
424549 |
135123091 |
1 |
ClN2O3C11H13 |
AB2C3D11E13 |
-105.49 |
7.09 |
-9.59 |
-0.83 |
0 |
|
|
424550 |
135123095 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-122.13 |
9.17 |
-9.36 |
0.06 |
0 |
|
|
424551 |
135123097 |
1 |
BrOSN4F5H8C15 |
ABCD4E5F8G15 |
-177.76 |
5.86 |
-9.39 |
-1.59 |
0 |
|
|
424552 |
135123098 |
1 |
BrOSN4F5H6C15 |
ABCD4E5F6G15 |
-170.23 |
5.76 |
-10.15 |
-1.71 |
0 |
|
|
424553 |
135123100 |
1 |
ClFNO3H9C13 |
ABCD3E9F13 |
-49.02 |
7.86 |
-9.77 |
-1.36 |
0 |
|
|
424554 |
135123102 |
1 |
NCl2H13C14 |
AB2C13D14 |
10.25 |
2.71 |
-8.49 |
-0.02 |
0 |
|
|
424555 |
135123104 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-80.23 |
6.06 |
-9.49 |
-0.24 |
0 |
|
|
424556 |
135123108 |
1 |
SN4O6C27H34 |
AB4C6D27E34 |
-171.8 |
5.53 |
-9.46 |
-0.78 |
0 |
|
|
424557 |
135123111 |
1 |
SN7O7C37H43 |
AB7C7D37E43 |
-127.98 |
8.63 |
-9.41 |
-0.61 |
0 |
|
|
424558 |
135123112 |
1 |
IN2O2C7H9 |
AB2C2D7E9 |
-43.5 |
0.87 |
-10.12 |
-1.71 |
0 |
|
|
424559 |
135123116 |
1 |
SN5O6C34H47 |
AB5C6D34E47 |
-146.46 |
13.06 |
-8.93 |
-0.96 |
0 |
|
|
424560 |
135123123 |
1 |
SN4O5C29H38 |
AB4C5D29E38 |
-148.16 |
9.19 |
-9.28 |
-0.62 |
0 |
|
|
424561 |
135123124 |
1 |
SN4O5C29H38 |
AB4C5D29E38 |
-150.58 |
6.75 |
-9.31 |
-0.55 |
0 |
|
|
424562 |
135123127 |
1 |
O4N5C28H37 |
A4B5C28D37 |
-94.65 |
0.73 |
-9.01 |
-0.28 |
0 |
|
|
424563 |
135123129 |
1 |
SN5O8C39H41 |
AB5C8D39E41 |
-186.2 |
8.22 |
-9.33 |
-1.6 |
0 |
|
|
424564 |
135123130 |
1 |
SN2C9H12 |
AB2C9D12 |
26.58 |
4.41 |
-8.62 |
-0.51 |
0 |
|
|
424565 |
135123133 |
1 |
SN3O5C25H31 |
AB3C5D25E31 |
-170.09 |
8.54 |
-7.95 |
-0.91 |
0 |
|
|
424566 |
135123134 |
1 |
NO4C22H25 |
AB4C22D25 |
-151.71 |
5.44 |
-9.02 |
-0.57 |
0 |
|
|
424567 |
135123138 |
1 |
F3N5O6C30H38 |
A3B5C6D30E38 |
-342.63 |
11.13 |
-9.28 |
-1.87 |
0 |
|
|
424568 |
135123141 |
1 |
SO5N6C33H40 |
AB5C6D33E40 |
-107.66 |
5.82 |
-9.22 |
-1.17 |
0 |
|
|
424569 |
135123154 |
1 |
SO5N7C33H43 |
AB5C7D33E43 |
-119.95 |
5.25 |
-8.6 |
-0.86 |
0 |
|
|
424570 |
135123159 |
1 |
SO5N7C32H39 |
AB5C7D32E39 |
-104.5 |
6.58 |
-9.14 |
-1.06 |
0 |
|
|
424571 |
135123174 |
1 |
SO6N9C36H45 |
AB6C9D36E45 |
-110.1 |
4.62 |
-8.59 |
-0.8 |
0 |
|
|
424572 |
135123182 |
1 |
SN4O8C30H40 |
AB4C8D30E40 |
-240.58 |
8.41 |
-9.43 |
-0.69 |
0 |
|
|
424573 |
135123185 |
1 |
SF3N5O5C41H42 |
AB3C5D5E41F42 |
-254.2 |
3.19 |
-9.02 |
-1.24 |
0 |
|
|
424574 |
135123190 |
1 |
SN5O8C37H51 |
AB5C8D37E51 |
-287.76 |
5.91 |
-9.42 |
-0.72 |
0 |
|
|
424575 |
135123194 |
1 |
SO4N8C34H42 |
AB4C8D34E42 |
-38.16 |
4.11 |
-8.6 |
-0.84 |
0 |
|
|
424576 |
135123195 |
1 |
SO4N8C34H40 |
AB4C8D34E40 |
-31.23 |
8.24 |
-8.98 |
-1.09 |
0 |
|
|
424577 |
135123200 |
1 |
SO5N7C35H39 |
AB5C7D35E39 |
-65.99 |
6.02 |
-8.66 |
-1.2 |
0 |
|
|
424578 |
135123210 |
1 |
F2O3N4H16C21 |
A2B3C4D16E21 |
-46.34 |
7.41 |
-9.16 |
-1.43 |
0 |
|
|
424579 |
135123212 |
1 |
SO4N7C32H43 |
AB4C7D32E43 |
-67.33 |
5.36 |
-8.61 |
-0.91 |
0 |
|
|
424580 |
135123213 |
1 |
SN5O6C26H33 |
AB5C6D26E33 |
-151.45 |
7.42 |
-9.07 |
-0.68 |
0 |
|
|
424581 |
135123214 |
1 |
SN4O4C25H32 |
AB4C4D25E32 |
-126.34 |
1.79 |
-8.32 |
-0.7 |
0 |
|
|
424582 |
135123224 |
1 |
ON2C12H16 |
AB2C12D16 |
-8.23 |
4.05 |
-8.69 |
0.24 |
0 |
|
|
424583 |
135123234 |
1 |
FO2N4C26H27 |
AB2C4D26E27 |
-30.92 |
3.87 |
-8.55 |
-0.66 |
0 |
|
|
424584 |
135123236 |
1 |
F2O2N4H8C9 |
A2B2C4D8E9 |
-102.23 |
8.34 |
-10.38 |
-1.77 |
0 |
|
|
424585 |
135123238 |
1 |
SO4N7C35H43 |
AB4C7D35E43 |
-50.37 |
5.47 |
-8.32 |
-0.49 |
0 |
|
|
424586 |
135123240 |
1 |
SO4N8C33H34 |
AB4C8D33E34 |
8.97 |
5.54 |
-9.45 |
-1.08 |
0 |
|
|
424587 |
135123245 |
1 |
O3N4C35H38 |
A3B4C35D38 |
-11.2 |
2.7 |
-8.36 |
-0.54 |
0 |
|
|
424588 |
135123247 |
1 |
N3O3H27C29 |
A3B3C27D29 |
-5.24 |
2.85 |
-8.73 |
-0.5 |
0 |
|
|
424589 |
135123249 |
1 |
ION2C11H11 |
ABC2D11E11 |
49.62 |
4.31 |
-8.88 |
-1.03 |
0 |
|
|
424590 |
135123250 |
1 |
O4N5C29H39 |
A4B5C29D39 |
-89.52 |
4.85 |
-8.95 |
-0.19 |
0 |
|
|
424591 |
135123251 |
1 |
O4N5C29H39 |
A4B5C29D39 |
-96.94 |
1.01 |
-8.9 |
-0.16 |
0 |
|
|
424592 |
135123252 |
1 |
SN5O5C27H35 |
AB5C5D27E35 |
-140.57 |
11.07 |
-9.28 |
-1.17 |
0 |
|
|
424593 |
135123254 |
1 |
BrFNSO2C10H11 |
ABCDE2F10G11 |
-88.09 |
4.54 |
-8.95 |
-1.13 |
0 |
|
|
424594 |
135123255 |
1 |
N4O5C39H42 |
A4B5C39D42 |
-83.42 |
3.36 |
-8.62 |
-0.8 |
0 |
|
|
424595 |
135123258 |
2 |
NOC9H9 |
ABC9D9 |
-42.92 |
2.8 |
-9.42 |
-0.1 |
0 |
|
|
424596 |
135123262 |
1 |
ClSN3O3H16C17 |
ABC3D3E16F17 |
-72.87 |
1.94 |
-9.08 |
-1.48 |
0 |
|
|
424597 |
135123264 |
1 |
O3N5C30H41 |
A3B5C30D41 |
-53.14 |
5.77 |
-8.59 |
0.25 |
0 |
|
|
424598 |
135123267 |
1 |
BrN2O3C24H25 |
AB2C3D24E25 |
-48.16 |
7.17 |
-8.58 |
-0.53 |
0 |
|
|
424599 |
135123268 |
1 |
O3N4H30C34 |
A3B4C30D34 |
31.13 |
2.7 |
-8.58 |
-0.6 |
0 |
|
|
424600 |
135123270 |
1 |
O3N5C30H35 |
A3B5C30D35 |
-26.06 |
3.16 |
-8.34 |
-0.68 |
0 |
|
|
424601 |
135123276 |
1 |
BrO2N4H23C27 |
AB2C4D23E27 |
58.57 |
4.35 |
-8.85 |
-0.98 |
0 |
|
|
424602 |
135123288 |
1 |
SN5O5C36H43 |
AB5C5D36E43 |
-87.34 |
5.07 |
-8.4 |
-0.6 |
0 |
|
|
424603 |
135123289 |
2 |
SO2N4C17H20 |
AB2C4D17E20 |
-19.35 |
8.02 |
-8.53 |
-1.01 |
0 |
|
|
424604 |
135123293 |
1 |
NO2S2C7H7 |
AB2C2D7E7 |
-31.64 |
3.52 |
-9.86 |
-1.38 |
0 |
|
|
424605 |
135123305 |
1 |
ClSN5O5C28H30 |
ABC5D5E28F30 |
-100.09 |
11.14 |
-9.41 |
-0.93 |
0 |
|
|
424606 |
135123309 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-38.59 |
5.1 |
-8.66 |
-0.95 |
0 |
|
|
424607 |
135123313 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-92.54 |
2.33 |
-8.97 |
-0.41 |
0 |
|
|
424608 |
135123319 |
1 |
BrNSO2F3C12H13 |
ABCD2E3F12G13 |
-207.99 |
5.68 |
-9.14 |
-1.41 |
0 |
|
|
424609 |
135123320 |
1 |
SN4O5C32H40 |
AB4C5D32E40 |
-125.19 |
7.87 |
-8.32 |
-0.61 |
0 |
|
|
424610 |
135123321 |
1 |
SF3N4O4C31H33 |
AB3C4D4E31F33 |
-247.97 |
14.5 |
-8.84 |
-1.3 |
0 |
|
|
424611 |
135123322 |
1 |
SF3N4O4C31H33 |
AB3C4D4E31F33 |
-252.44 |
6.88 |
-8.85 |
-1.26 |
0 |
|
|
424612 |
135123325 |
1 |
SF3N4O4C31H35 |
AB3C4D4E31F35 |
-253.29 |
6.17 |
-8.64 |
-0.81 |
0 |
|
|
424613 |
135123329 |
1 |
SO4N7C36H41 |
AB4C7D36E41 |
-30.6 |
2.61 |
-9.16 |
-1.2 |
0 |
|
|
424614 |
135123330 |
1 |
BrF2O2N3H22C28 |
AB2C2D3E22F28 |
-42.93 |
1.74 |
-8.73 |
-0.9 |
0 |
|
|
424615 |
135123331 |
1 |
ClNOF2C3H8 |
ABCD2E3F8 |
-191.37 |
3.49 |
-10.84 |
1.23 |
0 |
|
|
424616 |
135123332 |
1 |
SO4N7C36H41 |
AB4C7D36E41 |
-33.83 |
5.24 |
-8.95 |
-1.04 |
0 |