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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
299424 |
117682948 |
1 |
N3O4C33H41 |
A3B4C33D41 |
-138.69 |
4.74 |
-8.82 |
-0.32 |
0 |
|
|
299425 |
117682949 |
1 |
N2P3O14C15H17 |
A2B3C14D15E17 |
-637.42 |
8.5 |
-8.97 |
-1.2 |
0 |
|
|
299426 |
117682950 |
1 |
IN2O5C13H13 |
AB2C5D13E13 |
-87.03 |
6.43 |
-9.36 |
-1.38 |
0 |
|
|
299427 |
117682951 |
2 |
N2H16C25 |
A2B16C25 |
247.24 |
1.63 |
-8.06 |
-1.28 |
0 |
|
|
299428 |
117682952 |
2 |
N2H16C25 |
A2B16C25 |
246.64 |
1.3 |
-8.06 |
-1.29 |
0 |
|
|
299429 |
117682953 |
2 |
N2H17C27 |
A2B17C27 |
262.75 |
1.2 |
-8.05 |
-1.3 |
0 |
|
|
299430 |
117682954 |
2 |
N2H19C31 |
A2B19C31 |
298.8 |
1.66 |
-8.13 |
-1.32 |
0 |
|
|
299431 |
117682955 |
2 |
N2H19C31 |
A2B19C31 |
296.6 |
1.65 |
-8.06 |
-1.3 |
0 |
|
|
299432 |
117682956 |
2 |
N2H20C33 |
A2B20C33 |
321.25 |
3.8 |
-8.16 |
-1.36 |
0 |
|
|
299433 |
117682957 |
4 |
NH10C16 |
AB10C16 |
303.69 |
1.32 |
-8.07 |
-1.31 |
0 |
|
|
299434 |
117682959 |
1 |
N5H41C62 |
A5B41C62 |
303.25 |
0.44 |
-7.9 |
-1.25 |
0 |
|
|
299435 |
117682960 |
1 |
N5H39C60 |
A5B39C60 |
295.93 |
0.45 |
-7.89 |
-1.24 |
0 |
|
|
299436 |
117682961 |
1 |
N5H45C68 |
A5B45C68 |
325.92 |
0.77 |
-7.91 |
-1.29 |
0 |
|
|
299437 |
117682962 |
2 |
N2H16C25 |
A2B16C25 |
246.99 |
1.35 |
-8.04 |
-1.27 |
0 |
|
|
299438 |
117682963 |
1 |
N5H41C62 |
A5B41C62 |
303.07 |
0.77 |
-7.94 |
-1.3 |
0 |
|
|
299439 |
117682964 |
5 |
NH9C14 |
AB9C14 |
334.83 |
0.56 |
-7.92 |
-1.27 |
0 |
|
|
299440 |
117682965 |
1 |
N6H40C61 |
A6B40C61 |
312.66 |
3.12 |
-7.95 |
-1.34 |
0 |
|
|
299441 |
117682966 |
1 |
N5H49C74 |
A5B49C74 |
349.06 |
1.25 |
-7.92 |
-1.29 |
0 |
|
|
299442 |
117682968 |
5 |
NH9C14 |
AB9C14 |
335.44 |
0.73 |
-7.9 |
-1.25 |
0 |
|
|
299443 |
117682969 |
1 |
N7H47C72 |
A7B47C72 |
370.65 |
2.87 |
-7.92 |
-1.28 |
0 |
|
|
299444 |
117682970 |
1 |
N7H33C53 |
A7B33C53 |
309.6 |
1.35 |
-8.12 |
-1.47 |
0 |
|
|
299445 |
117682971 |
1 |
N8H46C71 |
A8B46C71 |
388.67 |
1.35 |
-7.98 |
-1.46 |
0 |
|
|
299446 |
117682972 |
1 |
N7H37C61 |
A7B37C61 |
346.35 |
1.44 |
-8.12 |
-1.49 |
0 |
|
|
299447 |
117682973 |
6 |
NH7C11 |
AB7C11 |
345.48 |
2.7 |
-8.05 |
-1.4 |
0 |
|
|
299448 |
117682974 |
1 |
N7H37C59 |
A7B37C59 |
333.12 |
0.86 |
-8.11 |
-1.51 |
0 |
|
|
299449 |
117682975 |
1 |
N6H44C69 |
A6B44C69 |
346.25 |
2.2 |
-7.93 |
-1.33 |
0 |
|
|
299450 |
117682976 |
1 |
N7H41C67 |
A7B41C67 |
369.8 |
0.8 |
-8.11 |
-1.52 |
0 |
|
|
299451 |
117682977 |
1 |
N7H43C71 |
A7B43C71 |
385.18 |
1.49 |
-8.12 |
-1.5 |
0 |
|
|
299452 |
117682978 |
2 |
N3H22C35 |
A3B22C35 |
361.01 |
2.38 |
-8.02 |
-1.4 |
0 |
|
|
299453 |
117682979 |
2 |
N3H22C36 |
A3B22C36 |
369.97 |
2.05 |
-8.05 |
-1.39 |
0 |
|
|
299454 |
117682980 |
2 |
N3H25C41 |
A3B25C41 |
408.97 |
2.45 |
-8.04 |
-1.4 |
0 |
|
|
299455 |
117682981 |
6 |
NH8C13 |
AB8C13 |
393.48 |
2.5 |
-8.05 |
-1.38 |
0 |
|
|
299456 |
117682998 |
2 |
N3H19C30 |
A3B19C30 |
322.04 |
1.77 |
-8.05 |
-1.36 |
0 |
|
|
299457 |
117683002 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-12.46 |
1.71 |
-8.83 |
-1.28 |
0 |
|
|
299458 |
117683015 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-10.78 |
1.89 |
-8.76 |
-1.22 |
0 |
|
|
299459 |
117683051 |
1 |
NOC17H27 |
ABC17D27 |
-55.8 |
2.17 |
-8.52 |
0.4 |
0 |
|
|
299460 |
117683059 |
1 |
ON3C19H31 |
AB3C19D31 |
-53.8 |
4.32 |
-8.35 |
0.46 |
0 |
|
|
299461 |
117683071 |
1 |
ON2C17H28 |
AB2C17D28 |
-42.63 |
1.18 |
-8.27 |
0.48 |
0 |
|
|
299462 |
117683073 |
1 |
NO2C14H21 |
AB2C14D21 |
-81.43 |
1.86 |
-9.06 |
-0.01 |
0 |
|
|
299463 |
117683080 |
1 |
ON3C20H33 |
AB3C20D33 |
-51.04 |
4.04 |
-8.28 |
0.6 |
0 |
|
|
299464 |
117683081 |
1 |
SO2N3C13H23 |
AB2C3D13E23 |
-78.41 |
5.42 |
-8.62 |
0.23 |
0 |
|
|
299465 |
117683099 |
1 |
ON2C21H28 |
AB2C21D28 |
-13.89 |
3.73 |
-8.62 |
-0.05 |
0 |
|
|
299466 |
117683104 |
1 |
ON2C15H24 |
AB2C15D24 |
-39.1 |
1.46 |
-8.8 |
0.06 |
0 |
|
|
299467 |
117683124 |
1 |
O2N5C21H23 |
A2B5C21D23 |
14.38 |
1.16 |
-8.79 |
-1.27 |
0 |
|
|
299468 |
117683130 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-90.54 |
5.8 |
-8.86 |
-0.24 |
0 |
|
|
299469 |
117683142 |
2 |
ON2C12H16 |
AB2C12D16 |
-41.74 |
4.98 |
-8.62 |
-0.32 |
0 |
|
|
299470 |
117683144 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-131.91 |
7.23 |
-8.67 |
-0.22 |
0 |
|
|
299471 |
117683162 |
1 |
O3N5C26H35 |
A3B5C26D35 |
-90.14 |
4.21 |
-8.59 |
-0.32 |
0 |
|
|
299472 |
117683197 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-74.41 |
6.1 |
-8.86 |
-1.12 |
0 |
|
|
299473 |
117683210 |
1 |
F3O3N5C24H30 |
A3B3C5D24E30 |
-233.18 |
3.39 |
-8.96 |
-1.22 |
0 |
|
|
299474 |
117683224 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-74.71 |
4.84 |
-8.59 |
-0.94 |
0 |
|
|
299475 |
117683228 |
1 |
N3O3C31H37 |
A3B3C31D37 |
-64.34 |
4.69 |
-8.57 |
-0.28 |
0 |
|
|
299476 |
117683248 |
1 |
NH29C45 |
AB29C45 |
200.4 |
2.14 |
-8.1 |
-0.86 |
0 |
|
|
299477 |
117683249 |
1 |
NH45C64 |
AB45C64 |
254.05 |
0.97 |
-8.03 |
-1.03 |
0 |
|
|
299478 |
117683275 |
2 |
O4C12H15 |
A4B12C15 |
-316.1 |
6.28 |
-9.32 |
-0.58 |
0 |
|
|
299479 |
117683283 |
6 |
OC4H5 |
AB4C5 |
-234.09 |
4.26 |
-9.97 |
-0.73 |
0 |
|
|
299480 |
117683284 |
4 |
O3C9H11 |
A3B9C11 |
-467.87 |
3.03 |
-9.33 |
-0.5 |
0 |
|
|
299481 |
117683294 |
2 |
O5C25H46 |
A5B25C46 |
-642.1 |
5.28 |
-10.7 |
0.51 |
0 |
|
|
299482 |
117683308 |
1 |
O14H58C63 |
A14B58C63 |
-474.87 |
9.18 |
-9.48 |
-0.49 |
0 |
|
|
299483 |
117683331 |
2 |
O12C30H41 |
A12B30C41 |
-983.79 |
4.43 |
-8.99 |
-0.54 |
0 |
|
|
299484 |
117686924 |
2 |
FON2H7C10 |
ABC2D7E10 |
-54.95 |
2.15 |
-9.41 |
-1.44 |
0 |
|
|
299485 |
117686925 |
1 |
OF2N4H14C23 |
AB2C4D14E23 |
4.11 |
0.7 |
-9.44 |
-1.46 |
0 |
|
|
299486 |
117686928 |
1 |
OF2N4H12C19 |
AB2C4D12E19 |
-11.79 |
3.1 |
-9.42 |
-1.44 |
0 |
|
|
299487 |
117686932 |
1 |
OF2N5H13C21 |
AB2C5D13E21 |
8.9 |
3.57 |
-9.38 |
-1.45 |
0 |
|
|
299488 |
117686933 |
1 |
OF2N4H14C23 |
AB2C4D14E23 |
1.73 |
5.48 |
-9.63 |
-1.37 |
0 |
|
|
299489 |
117686940 |
1 |
OF2N4H14C23 |
AB2C4D14E23 |
4.08 |
2.86 |
-9.41 |
-1.44 |
0 |
|
|
299490 |
117686945 |
1 |
OF2N5H13C21 |
AB2C5D13E21 |
2.0 |
4.6 |
-9.36 |
-1.32 |
0 |
|
|
299491 |
117686963 |
1 |
O8C65H68 |
A8B65C68 |
-191.69 |
5.04 |
-8.34 |
-0.06 |
0 |
|
|
299492 |
117686967 |
1 |
FON3H16C24 |
ABC3D16E24 |
36.11 |
3.74 |
-9.21 |
-1.14 |
0 |
|
|
299493 |
117686971 |
1 |
FON3H14C20 |
ABC3D14E20 |
19.27 |
3.35 |
-9.24 |
-1.16 |
0 |
|
|
299494 |
117686983 |
1 |
ON5H15C21 |
AB5C15D21 |
110.38 |
4.12 |
-9.06 |
-1.42 |
0 |
|
|
299495 |
117686988 |
1 |
ON5H15C21 |
AB5C15D21 |
110.28 |
3.58 |
-9.18 |
-1.46 |
0 |
|
|
299496 |
117686991 |
1 |
ON4H18C23 |
AB4C18D23 |
85.71 |
6.65 |
-8.66 |
-1.06 |
0 |
|
|
299497 |
117686993 |
1 |
ON5H17C22 |
AB5C17D22 |
101.14 |
5.99 |
-9.1 |
-1.46 |
0 |
|
|
299498 |
117687001 |
1 |
ON4H16C22 |
AB4C16D22 |
90.22 |
2.48 |
-8.94 |
-1.22 |
0 |
|
|
299499 |
117687024 |
1 |
OF2N4H12C19 |
AB2C4D12E19 |
-14.06 |
4.47 |
-9.46 |
-1.34 |
0 |
|
|
299500 |
117687036 |
1 |
FON5H14C21 |
ABC5D14E21 |
62.87 |
6.02 |
-8.83 |
-1.51 |
0 |
|
|
299501 |
117687076 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-14.14 |
8.63 |
-8.53 |
-1.52 |
0 |
|
|
299502 |
117687085 |
2 |
NO2C11H14 |
AB2C11D14 |
-117.36 |
2.79 |
-8.58 |
-0.45 |
0 |
|
|
299503 |
117687086 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-80.37 |
0.9 |
-8.85 |
-0.43 |
0 |
|
|
299504 |
117687087 |
1 |
N2O2F3C20H21 |
A2B2C3D20E21 |
-210.42 |
1.46 |
-8.86 |
-0.79 |
0 |
|
|
299505 |
117687099 |
1 |
ON5C13H19 |
AB5C13D19 |
-0.96 |
4.77 |
-8.61 |
-0.29 |
0 |
|
|
299506 |
117687106 |
1 |
ON4C13H26 |
AB4C13D26 |
-48.34 |
6.67 |
-8.59 |
0.7 |
0 |
|
|
299507 |
117687109 |
1 |
N2O2F3C19H19 |
A2B2C3D19E19 |
-197.45 |
2.85 |
-8.8 |
-0.72 |
0 |
|
|
299508 |
117687119 |
1 |
O4N5C20H23 |
A4B5C20D23 |
-0.06 |
11.01 |
-8.49 |
-1.62 |
0 |
|
|
299509 |
117687121 |
1 |
ON6C13H16 |
AB6C13D16 |
94.22 |
6.34 |
-8.93 |
-1.81 |
0 |
|
|
299510 |
117687128 |
1 |
SO3N4C27H36 |
AB3C4D27E36 |
-64.11 |
4.26 |
-8.83 |
-0.9 |
0 |
|
|
299511 |
117687131 |
1 |
SO4N5C33H47 |
AB4C5D33E47 |
-150.06 |
8.36 |
-8.44 |
-0.52 |
0 |
|
|
299512 |
117687132 |
1 |
SN3O4C26H33 |
AB3C4D26E33 |
-99.64 |
3.27 |
-8.37 |
-0.92 |
0 |
|
|
299513 |
117687136 |
1 |
SN4O4C31H42 |
AB4C4D31E42 |
-155.45 |
5.5 |
-8.8 |
-0.85 |
0 |
|
|
299514 |
117687148 |
1 |
OF8H10C22 |
AB8C10D22 |
-318.02 |
7.1 |
-9.11 |
-1.36 |
0 |
|
|
299515 |
117687157 |
1 |
N9O12C27H41 |
A9B12C27D41 |
-525.04 |
3.13 |
-9.87 |
-0.61 |
0 |
|
|
299516 |
117687165 |
1 |
N9O12C26H39 |
A9B12C26D39 |
-521.37 |
2.02 |
-10.16 |
-0.17 |
0 |
|
|
299517 |
117687183 |
1 |
OH8F14C24 |
AB8C14D24 |
-635.7 |
1.63 |
-9.68 |
-2.0 |
0 |
|
|
299518 |
117687193 |
1 |
SO4C23H28 |
AB4C23D28 |
-152.16 |
1.14 |
-8.58 |
-0.05 |
0 |
|
|
299519 |
117687204 |
1 |
SO4C13H24 |
AB4C13D24 |
-214.69 |
2.06 |
-8.82 |
0.39 |
0 |
|
|
299520 |
117687210 |
1 |
NSO3C11H19 |
ABC3D11E19 |
-147.71 |
3.85 |
-9.03 |
-0.04 |
0 |
|
|
299521 |
117687225 |
1 |
NSO3C16H21 |
ABC3D16E21 |
-118.48 |
3.24 |
-9.37 |
-0.1 |
0 |
|
|
299522 |
117687226 |
1 |
NSO3C13H23 |
ABC3D13E23 |
-168.68 |
5.9 |
-9.22 |
0.08 |
0 |
|
|
299523 |
117687233 |
1 |
NSO3C8H13 |
ABC3D8E13 |
-145.69 |
3.95 |
-9.92 |
-0.82 |
0 |