List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
319344 |
126655698 |
1 |
NS2O6C18H19 |
AB2C6D18E19 |
-197.61 |
3.57 |
-9.27 |
-1.29 |
0 |
|
|
319346 |
126655700 |
1 |
NO4C15H17 |
AB4C15D17 |
-136.29 |
2.15 |
-8.99 |
-0.91 |
0 |
|
|
319347 |
126655701 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-110.69 |
1.49 |
-8.91 |
-0.79 |
0 |
|
|
319348 |
126655705 |
4 |
NOC5H5 |
ABC5D5 |
-65.8 |
4.97 |
-8.88 |
-0.77 |
0 |
|
|
319350 |
126655712 |
1 |
NO4C20H21 |
AB4C20D21 |
-130.63 |
1.21 |
-8.92 |
-0.8 |
0 |
|
|
319351 |
126655720 |
1 |
OCl2N4H34C35 |
AB2C4D34E35 |
60.84 |
6.28 |
-8.55 |
-0.18 |
0 |
|
|
319356 |
126655740 |
1 |
N2F4H6C7 |
A2B4C6D7 |
-142.15 |
1.73 |
-9.17 |
-0.94 |
0 |
|
|
319359 |
126655763 |
1 |
SN2O3C21H26 |
AB2C3D21E26 |
-82.09 |
5.8 |
-9.22 |
-1.36 |
0 |
|
|
319360 |
126655764 |
1 |
NO2C23H29 |
AB2C23D29 |
-60.76 |
1.44 |
-8.59 |
-0.45 |
0 |
|
|
319363 |
126655768 |
1 |
NOF3C28H28 |
ABC3D28E28 |
-145.76 |
4.77 |
-9.07 |
-0.87 |
0 |
|
|
319364 |
126655771 |
1 |
NOC18H27 |
ABC18D27 |
-52.65 |
1.69 |
-8.98 |
-0.16 |
0 |
|
|
319365 |
126655773 |
1 |
NO2C17H25 |
AB2C17D25 |
-89.64 |
3.77 |
-9.16 |
-0.34 |
0 |
|
|
319369 |
126655782 |
1 |
NO2C20H29 |
AB2C20D29 |
-95.46 |
3.25 |
-9.18 |
-1.03 |
0 |
|
|
319370 |
126655791 |
1 |
NOC18H25 |
ABC18D25 |
-34.5 |
4.89 |
-8.32 |
-0.14 |
0 |
|
|
319371 |
126655799 |
1 |
NO2C14H19 |
AB2C14D19 |
-87.75 |
4.45 |
-8.49 |
0.04 |
0 |
|
|
319374 |
126655807 |
1 |
NO4H29C44 |
AB4C29D44 |
70.98 |
2.43 |
-8.89 |
-1.7 |
0 |
|
|
319375 |
126655808 |
1 |
NO3H17C28 |
AB3C17D28 |
25.63 |
3.61 |
-8.7 |
-1.47 |
0 |
|
|
319376 |
126655818 |
1 |
NO2H15C17 |
AB2C15D17 |
-14.57 |
1.62 |
-8.57 |
-0.77 |
0 |
|
|
319377 |
126655821 |
1 |
NO2H17C19 |
AB2C17D19 |
-22.74 |
4.44 |
-9.05 |
-1.33 |
0 |
|
|
319379 |
126655830 |
1 |
NOCl2H19C23 |
ABC2D19E23 |
22.73 |
2.07 |
-8.99 |
-0.92 |
0 |
|
|
319382 |
126655833 |
1 |
NO2C15H19 |
AB2C15D19 |
-75.25 |
3.61 |
-7.82 |
0.12 |
0 |
|
|
319383 |
126655835 |
1 |
NOH25C26 |
ABC25D26 |
20.82 |
3.98 |
-8.41 |
-0.34 |
0 |
|
|
319384 |
126655836 |
1 |
NOCl2H17C23 |
ABC2D17E23 |
32.35 |
4.57 |
-8.48 |
-0.76 |
0 |
|
|
319385 |
126655837 |
1 |
ClOH17C20 |
ABC17D20 |
-3.6 |
2.18 |
-9.08 |
-0.18 |
0 |
|
|
319388 |
126655844 |
1 |
ClFNO2H19C24 |
ABCD2E19F24 |
-51.14 |
3.06 |
-9.2 |
-1.41 |
0 |
|
|
319389 |
126655846 |
1 |
ClFNO2H19C24 |
ABCD2E19F24 |
-52.63 |
3.75 |
-9.22 |
-1.42 |
0 |
|
|
319390 |
126655848 |
1 |
NO2H25C30 |
AB2C25D30 |
13.61 |
3.33 |
-9.16 |
-1.45 |
0 |
|
|
319393 |
126655856 |
1 |
ClFO2H14C16 |
ABC2D14E16 |
-80.46 |
6.48 |
-9.56 |
-1.56 |
0 |
|
|
319394 |
126655858 |
2 |
ClOH7C8 |
ABC7D8 |
-41.12 |
6.56 |
-9.56 |
-1.7 |
0 |
|
|
319395 |
126655859 |
1 |
SO3C18H22 |
AB3C18D22 |
-113.29 |
3.32 |
-8.97 |
-0.2 |
0 |
|
|
319396 |
126655860 |
1 |
NOH25C29 |
ABC25D29 |
48.85 |
1.55 |
-8.84 |
-0.81 |
0 |
|
|
319398 |
126655862 |
1 |
ClO2H15C16 |
AB2C15D16 |
-32.53 |
6.69 |
-9.51 |
-1.71 |
0 |
|
|
319400 |
126655866 |
2 |
OH10C11 |
AB10C11 |
-15.22 |
6.04 |
-9.27 |
-1.54 |
0 |
|
|
319401 |
126655867 |
1 |
NO2C24H25 |
AB2C24D25 |
-32.16 |
2.66 |
-8.78 |
-0.48 |
0 |
|
|
319402 |
126655868 |
1 |
SO4C18H22 |
AB4C18D22 |
-141.59 |
4.63 |
-8.92 |
-0.22 |
0 |
|
|
319403 |
126655869 |
1 |
NO2H23C24 |
AB2C23D24 |
1.91 |
0.37 |
-8.81 |
-0.9 |
0 |
|
|
319404 |
126655870 |
1 |
NOC24H25 |
ABC24D25 |
-1.38 |
3.53 |
-8.54 |
-0.24 |
0 |
|
|
319405 |
126655871 |
1 |
NO2C24H25 |
AB2C24D25 |
-31.08 |
2.67 |
-8.64 |
-0.36 |
0 |
|
|
319407 |
126655873 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-25.78 |
10.44 |
-9.02 |
-0.81 |
0 |
|
|
319409 |
126655886 |
1 |
O4N8C31H44 |
A4B8C31D44 |
-83.58 |
9.0 |
-8.09 |
-1.01 |
0 |
|
|
319412 |
126655919 |
2 |
NOC6H13 |
ABC6D13 |
-121.62 |
3.7 |
-9.81 |
1.04 |
0 |
|
|
319414 |
126655928 |
2 |
ClON2H17C18 |
ABC2D17E18 |
20.36 |
3.16 |
-8.76 |
-0.56 |
0 |
|
|
319415 |
126655930 |
1 |
BrNSO2H12C15 |
ABCD2E12F15 |
-10.29 |
3.77 |
-8.72 |
-1.08 |
0 |
|
|
319416 |
126655932 |
1 |
BrNH12C15 |
ABC12D15 |
62.81 |
1.12 |
-8.32 |
-0.57 |
0 |
|
|
319417 |
126655933 |
1 |
NO2C21H25 |
AB2C21D25 |
-56.63 |
4.26 |
-8.83 |
-0.17 |
0 |
|
|
319421 |
126655963 |
3 |
NO2C7H7 |
AB2C7D7 |
-127.42 |
6.41 |
-8.96 |
-0.52 |
0 |
|
|
319422 |
126655964 |
1 |
ClN3O3H12C15 |
AB3C3D12E15 |
16.16 |
4.39 |
-9.12 |
-0.98 |
0 |
|
|
319423 |
126655967 |
1 |
ON3C17H17 |
AB3C17D17 |
65.22 |
3.7 |
-8.95 |
-0.62 |
0 |
|
|
319424 |
126655969 |
1 |
ON5C25H27 |
AB5C25D27 |
60.05 |
3.27 |
-9.03 |
-0.84 |
0 |
|
|
319425 |
126655973 |
1 |
OC9H12 |
AB9C12 |
-26.26 |
3.14 |
-9.64 |
-0.04 |
0 |
|
|
319426 |
126655989 |
1 |
PS2N3H22C34 |
AB2C3D22E34 |
143.33 |
6.4 |
-7.93 |
-1.36 |
0 |
|
|
319427 |
126655992 |
1 |
PS2N3H26C40 |
AB2C3D26E40 |
167.88 |
4.16 |
-7.92 |
-1.36 |
0 |
|
|
319428 |
126655995 |
1 |
NPS2H24C36 |
ABC2D24E36 |
121.49 |
6.67 |
-7.9 |
-0.91 |
0 |
|
|
319429 |
126656001 |
1 |
OPSN3H26C40 |
ABCD3E26F40 |
141.37 |
5.7 |
-7.99 |
-1.42 |
0 |
|
|
319430 |
126656003 |
1 |
OPN4H31C42 |
ABC4D31E42 |
134.7 |
5.9 |
-8.24 |
-1.36 |
0 |
|
|
319431 |
126656004 |
1 |
OPN3H28C41 |
ABC3D28E41 |
140.31 |
5.31 |
-7.5 |
-1.03 |
0 |
|
|
319432 |
126656006 |
1 |
PSN4H31C46 |
ABC4D31E46 |
202.06 |
6.51 |
-7.56 |
-1.33 |
0 |
|
|
319434 |
126656014 |
1 |
NPSH30C39 |
ABCD30E39 |
102.47 |
6.05 |
-8.07 |
-0.74 |
0 |
|
|
319436 |
126656022 |
1 |
ClON2H23C26 |
ABC2D23E26 |
79.99 |
3.87 |
-8.46 |
-0.77 |
0 |
|
|
319437 |
126656025 |
1 |
ClNOH10C18 |
ABCD10E18 |
45.41 |
2.07 |
-8.41 |
-0.95 |
0 |
|
|
319439 |
126656036 |
1 |
ON2H34C52 |
AB2C34D52 |
202.64 |
2.55 |
-8.1 |
-0.62 |
0 |
|
|
319440 |
126656037 |
1 |
ON2H34C52 |
AB2C34D52 |
199.3 |
3.23 |
-7.76 |
-0.4 |
0 |
|
|
319441 |
126656038 |
1 |
ON2H26C41 |
AB2C26D41 |
166.84 |
1.59 |
-8.06 |
-0.79 |
0 |
|
|
319442 |
126656040 |
1 |
NO6C39H67 |
AB6C39D67 |
-376.61 |
3.52 |
-9.18 |
0.91 |
0 |
|
|
319443 |
126656041 |
1 |
N4H58C65 |
A4B58C65 |
226.91 |
2.15 |
-7.71 |
-0.16 |
0 |
|
|
319446 |
126656060 |
2 |
ON2H17C28 |
AB2C17D28 |
220.69 |
3.56 |
-8.18 |
-0.89 |
0 |
|
|
319447 |
126656061 |
2 |
ON2H17C28 |
AB2C17D28 |
221.08 |
2.05 |
-8.08 |
-0.88 |
0 |
|
|
319448 |
126656062 |
1 |
ON4H24C39 |
AB4C24D39 |
193.68 |
0.5 |
-8.16 |
-1.12 |
0 |
|
|
319450 |
126656070 |
1 |
ClN2O3C10H13 |
AB2C3D10E13 |
-39.48 |
6.33 |
-9.98 |
-0.61 |
0 |
|
|
319451 |
126656071 |
1 |
ON5H39C57 |
AB5C39D57 |
269.96 |
3.61 |
-7.65 |
-1.1 |
0 |
|
|
319452 |
126656081 |
1 |
ClNO3C15H16 |
ABC3D15E16 |
-85.98 |
5.58 |
-8.65 |
-1.57 |
0 |
|
|
319453 |
126656083 |
2 |
O3C8H8 |
A3B8C8 |
-154.94 |
7.01 |
-8.95 |
-1.66 |
0 |
|
|
319456 |
126656086 |
1 |
NO16C38H47 |
AB16C38D47 |
-610.66 |
6.43 |
-8.8 |
-1.71 |
0 |
|
|
319457 |
126656090 |
1 |
NP2O5C8H15 |
AB2C5D8E15 |
-195.93 |
2.19 |
-9.64 |
-0.26 |
0 |
|
|
319460 |
126656105 |
1 |
N4O8C35H54 |
A4B8C35D54 |
-324.57 |
3.36 |
-8.67 |
-0.04 |
0 |
|
|
319461 |
126656106 |
1 |
N4O8C35H54 |
A4B8C35D54 |
-310.05 |
4.63 |
-8.72 |
-0.05 |
0 |
|
|
319464 |
126656115 |
1 |
Cl2O4N8C39H48 |
A2B4C8D39E48 |
-66.4 |
11.32 |
-8.41 |
-0.84 |
0 |
|
|
319465 |
126656121 |
1 |
N7O10C47H49 |
A7B10C47D49 |
-296.78 |
8.49 |
-8.72 |
-1.55 |
0 |
|
|
319467 |
126656124 |
1 |
ON5H41C61 |
AB5C41D61 |
281.84 |
1.65 |
-8.2 |
-1.0 |
0 |
|
|
319468 |
126656125 |
1 |
ON4H36C55 |
AB4C36D55 |
256.36 |
4.86 |
-8.19 |
-1.18 |
0 |
|
|
319469 |
126656133 |
1 |
N2O7H28C29 |
A2B7C28D29 |
-175.41 |
3.98 |
-8.96 |
-1.28 |
0 |
|
|
319470 |
126656175 |
1 |
SN2H26C42 |
AB2C26D42 |
196.27 |
2.27 |
-7.97 |
-0.83 |
0 |
|
|
319471 |
126656178 |
1 |
ON2H26C42 |
AB2C26D42 |
162.03 |
2.0 |
-7.99 |
-0.84 |
0 |
|
|
319472 |
126656180 |
1 |
SN2H26C42 |
AB2C26D42 |
190.96 |
1.87 |
-8.01 |
-0.85 |
0 |
|
|
319473 |
126656183 |
1 |
N2H24C37 |
A2B24C37 |
166.55 |
2.77 |
-7.74 |
-0.63 |
0 |
|
|
319474 |
126656189 |
1 |
NSH23C37 |
ABC23D37 |
161.73 |
2.05 |
-8.19 |
-0.67 |
0 |
|
|
319475 |
126656192 |
1 |
F3N7H20C42 |
A3B7C20D42 |
235.41 |
7.22 |
-9.45 |
-2.6 |
0 |
|
|
319476 |
126656197 |
1 |
N3C18H19 |
A3B18C19 |
54.7 |
2.56 |
-8.61 |
-0.53 |
0 |
|
|
319477 |
126656198 |
1 |
N3C18H19 |
A3B18C19 |
53.86 |
3.27 |
-8.62 |
-0.44 |
0 |
|
|
319478 |
126656211 |
2 |
NC9H9 |
AB9C9 |
86.41 |
0.84 |
-9.23 |
-0.96 |
0 |
|
|
319483 |
126656289 |
4 |
NC7H8 |
AB7C8 |
79.63 |
4.44 |
-8.0 |
0.17 |
0 |
|
|
319485 |
126656299 |
1 |
ON2H48C53 |
AB2C48D53 |
199.41 |
2.9 |
-7.83 |
-0.64 |
0 |
|
|
319488 |
126656320 |
1 |
OSN3H37C52 |
ABC3D37E52 |
218.92 |
2.53 |
-8.15 |
-0.91 |
0 |
|
|
319492 |
126656355 |
1 |
ON5H31C51 |
AB5C31D51 |
253.72 |
1.34 |
-8.24 |
-1.2 |
0 |
|
|
319493 |
126656357 |
1 |
ON4H36C53 |
AB4C36D53 |
227.73 |
3.62 |
-8.18 |
-0.9 |
0 |
|
|
319494 |
126656372 |
1 |
NH25C31 |
AB25C31 |
119.46 |
1.54 |
-7.95 |
-0.07 |
0 |
|
|
319496 |
126656385 |
1 |
ON2H26C42 |
AB2C26D42 |
165.97 |
1.32 |
-8.02 |
-0.76 |
0 |
|
|
319497 |
126656386 |
1 |
ON2H50C64 |
AB2C50D64 |
208.84 |
2.49 |
-7.82 |
-0.4 |
0 |
|
|
319498 |
126656387 |
1 |
ON2H52C60 |
AB2C52D60 |
163.97 |
3.4 |
-7.81 |
-0.5 |
0 |
|
|
319499 |
126656388 |
1 |
NOH27C39 |
ABC27D39 |
118.26 |
2.14 |
-8.14 |
-0.63 |
0 |