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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
78352 |
49688762 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-170.75 |
2.7 |
-9.2 |
-0.12 |
0 |
|
|
78353 |
49688766 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-167.26 |
5.26 |
-9.01 |
-0.07 |
0 |
|
|
78354 |
49688791 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-173.78 |
1.49 |
-9.56 |
0.68 |
0 |
|
|
78355 |
49688806 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-124.09 |
1.17 |
-8.8 |
-0.22 |
0 |
|
|
78356 |
49688814 |
1 |
N2F3O3C16H19 |
A2B3C3D16E19 |
-279.39 |
5.28 |
-9.43 |
-1.02 |
0 |
|
|
78357 |
49688949 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-159.9 |
7.29 |
-9.0 |
0.35 |
0 |
|
|
78358 |
49688954 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-84.32 |
6.88 |
-9.02 |
-0.47 |
0 |
|
|
78359 |
49689007 |
1 |
F2N2O3C20H20 |
A2B2C3D20E20 |
-181.54 |
5.16 |
-9.16 |
-0.94 |
0 |
|
|
78360 |
49689040 |
1 |
ClFN2O3C20H20 |
ABC2D3E20F20 |
-140.05 |
7.71 |
-8.95 |
-1.02 |
0 |
|
|
78361 |
49689081 |
1 |
Cl2N2O3C20H20 |
A2B2C3D20E20 |
-99.27 |
4.83 |
-9.11 |
-1.1 |
0 |
|
|
78362 |
49689087 |
2 |
NO2C12H15 |
AB2C12D15 |
-144.59 |
6.3 |
-9.06 |
-0.04 |
0 |
|
|
78363 |
49689088 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-169.63 |
7.06 |
-8.57 |
-0.08 |
0 |
|
|
78364 |
49689089 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-168.46 |
5.59 |
-8.67 |
-0.24 |
0 |
|
|
78365 |
49689098 |
1 |
N2O4C25H26 |
A2B4C25D26 |
-108.75 |
5.5 |
-8.93 |
-0.79 |
0 |
|
|
78366 |
49689108 |
1 |
SN2O5C22H26 |
AB2C5D22E26 |
-173.46 |
3.14 |
-9.16 |
-0.69 |
0 |
|
|
78367 |
49689152 |
1 |
SN3O3C19H23 |
AB3C3D19E23 |
-83.99 |
6.64 |
-8.99 |
-0.59 |
0 |
|
|
78368 |
49689197 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-92.68 |
7.51 |
-9.64 |
-1.06 |
0 |
|
|
78369 |
49689203 |
1 |
ClO2N4C15H21 |
AB2C4D15E21 |
-71.58 |
4.79 |
-9.53 |
-0.97 |
0 |
|
|
78370 |
49689219 |
1 |
FO2N4C18H19 |
AB2C4D18E19 |
-64.93 |
7.57 |
-9.38 |
-0.93 |
0 |
|
|
78371 |
49689220 |
1 |
FO2N4C18H19 |
AB2C4D18E19 |
-64.32 |
4.79 |
-9.64 |
-1.17 |
0 |
|
|
78372 |
49689221 |
1 |
FO2N4C18H19 |
AB2C4D18E19 |
-66.45 |
5.2 |
-9.6 |
-0.98 |
0 |
|
|
78373 |
49689223 |
1 |
SO2N4C17H20 |
AB2C4D17E20 |
-22.56 |
2.49 |
-9.26 |
-0.98 |
0 |
|
|
78374 |
49689244 |
1 |
O3N5C18H21 |
A3B5C18D21 |
-67.54 |
7.85 |
-9.27 |
-1.07 |
0 |
|
|
78375 |
49689246 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
-1.17 |
6.62 |
-9.4 |
-1.11 |
0 |
|
|
78376 |
49689262 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-35.2 |
7.12 |
-9.42 |
-0.93 |
0 |
|
|
78377 |
49689263 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-21.34 |
9.34 |
-8.57 |
-0.81 |
0 |
|
|
78378 |
49689264 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-19.23 |
8.1 |
-8.71 |
-0.85 |
0 |
|
|
78379 |
49689293 |
2 |
N2O2C10H11 |
A2B2C10D11 |
-90.22 |
5.25 |
-9.07 |
-0.95 |
0 |
|
|
78380 |
49689294 |
1 |
SO2N6C18H18 |
AB2C6D18E18 |
40.6 |
2.74 |
-9.65 |
-1.84 |
0 |
|
|
78381 |
49689314 |
1 |
ClO2N4C20H21 |
AB2C4D20E21 |
-15.68 |
6.36 |
-9.46 |
-0.92 |
0 |
|
|
78382 |
49689316 |
1 |
FSO2N4C19H21 |
ABC2D4E19F21 |
-67.61 |
0.76 |
-9.25 |
-1.1 |
0 |
|
|
78383 |
49689350 |
1 |
O3N5C22H25 |
A3B5C22D25 |
-64.83 |
3.67 |
-9.01 |
-1.1 |
0 |
|
|
78384 |
49689351 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-72.21 |
6.4 |
-9.53 |
-0.97 |
0 |
|
|
78385 |
49689352 |
1 |
SO4N5C18H27 |
AB4C5D18E27 |
-139.85 |
10.17 |
-9.47 |
-0.8 |
0 |
|
|
78386 |
49689353 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-81.46 |
5.09 |
-8.54 |
-1.04 |
0 |
|
|
78387 |
49689354 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-81.16 |
5.66 |
-9.07 |
-1.1 |
0 |
|
|
78388 |
49689355 |
2 |
N2O2C11H14 |
A2B2C11D14 |
-110.2 |
6.92 |
-8.77 |
-0.87 |
0 |
|
|
78389 |
49689408 |
1 |
FO2N5C18H20 |
AB2C5D18E20 |
-63.22 |
2.59 |
-9.03 |
-1.11 |
0 |
|
|
78390 |
49689412 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-42.08 |
6.2 |
-8.86 |
-0.92 |
0 |
|
|
78391 |
49689414 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-58.81 |
3.1 |
-8.42 |
-1.08 |
0 |
|
|
78392 |
49689430 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-106.6 |
2.12 |
-8.86 |
-1.09 |
0 |
|
|
78393 |
49689432 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-99.82 |
5.8 |
-8.99 |
-1.02 |
0 |
|
|
78394 |
49689434 |
1 |
ClO3N5C19H22 |
AB3C5D19E22 |
-65.15 |
6.18 |
-8.87 |
-1.29 |
0 |
|
|
78395 |
49689435 |
1 |
O2F3N5C19H20 |
A2B3C5D19E20 |
-183.27 |
2.85 |
-9.44 |
-1.01 |
0 |
|
|
78396 |
49689464 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-41.58 |
7.7 |
-9.73 |
-0.78 |
0 |
|
|
78397 |
49689465 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-42.32 |
6.87 |
-9.6 |
-0.81 |
0 |
|
|
78398 |
49689466 |
1 |
O3N5C16H19 |
A3B5C16D19 |
-29.18 |
4.76 |
-9.49 |
-1.38 |
0 |
|
|
78399 |
49689467 |
4 |
NOC4H5 |
ABC4D5 |
-61.06 |
1.58 |
-9.49 |
-0.58 |
0 |
|
|
78400 |
49689468 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-47.94 |
3.84 |
-9.43 |
-0.86 |
0 |
|
|
78401 |
49689469 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-45.6 |
2.19 |
-9.44 |
-0.56 |
0 |
|
|
78402 |
49689470 |
3 |
NOC6H9 |
ABC6D9 |
-102.31 |
5.6 |
-9.54 |
-0.36 |
0 |
|
|
78403 |
49689471 |
3 |
NOC6H9 |
ABC6D9 |
-105.28 |
4.65 |
-9.41 |
-0.06 |
0 |
|
|
78404 |
49689474 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-62.41 |
6.01 |
-9.33 |
-0.29 |
0 |
|
|
78405 |
49689479 |
1 |
FN3O3C18H20 |
AB3C3D18E20 |
-99.85 |
5.55 |
-9.67 |
-0.59 |
0 |
|
|
78406 |
49689481 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-108.18 |
7.83 |
-9.26 |
-0.19 |
0 |
|
|
78407 |
49689482 |
1 |
SN3O3C17H21 |
AB3C3D17E21 |
-57.41 |
2.88 |
-9.21 |
-0.69 |
0 |
|
|
78408 |
49689484 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-107.2 |
2.13 |
-9.59 |
-0.23 |
0 |
|
|
78409 |
49689485 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-108.94 |
6.19 |
-9.55 |
-0.33 |
0 |
|
|
78410 |
49689486 |
1 |
SO3N5C15H19 |
AB3C5D15E19 |
-26.56 |
5.43 |
-9.6 |
-1.55 |
0 |
|
|
78411 |
49689487 |
1 |
N3O3C19H31 |
A3B3C19D31 |
-117.73 |
6.78 |
-9.31 |
-0.15 |
0 |
|
|
78412 |
49689490 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-41.15 |
3.78 |
-9.4 |
-0.58 |
0 |
|
|
78413 |
49689491 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-66.81 |
7.56 |
-9.62 |
-0.26 |
0 |
|
|
78414 |
49689511 |
2 |
N2O3C8H9 |
A2B3C8D9 |
-77.1 |
3.55 |
-9.63 |
-1.95 |
0 |
|
|
78415 |
49689512 |
1 |
N4O5C17H22 |
A4B5C17D22 |
-167.2 |
1.51 |
-9.41 |
-0.17 |
0 |
|
|
78416 |
49689516 |
1 |
N3O4C20H21 |
A3B4C20D21 |
-64.89 |
6.98 |
-9.52 |
-0.94 |
0 |
|
|
78417 |
49689521 |
3 |
NOC7H9 |
ABC7D9 |
-69.28 |
5.99 |
-9.52 |
-0.29 |
0 |
|
|
78418 |
49689543 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-36.46 |
3.79 |
-9.2 |
-0.78 |
0 |
|
|
78419 |
49689544 |
1 |
SO3N5C17H23 |
AB3C5D17E23 |
-34.78 |
7.55 |
-9.5 |
-1.51 |
0 |
|
|
78420 |
49689571 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-60.73 |
5.76 |
-8.9 |
-0.53 |
0 |
|
|
78421 |
49689572 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-60.07 |
3.24 |
-8.81 |
-0.22 |
0 |
|
|
78422 |
49689576 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-45.53 |
3.88 |
-9.08 |
-0.73 |
0 |
|
|
78423 |
49689577 |
1 |
ClN3O4C19H22 |
AB3C4D19E22 |
-100.81 |
5.22 |
-9.26 |
-0.46 |
0 |
|
|
78424 |
49689581 |
1 |
F3N3O3C19H20 |
A3B3C3D19E20 |
-214.57 |
5.28 |
-9.78 |
-1.08 |
0 |
|
|
78425 |
49689583 |
1 |
N3O5C21H21 |
A3B5C21D21 |
-103.73 |
6.47 |
-9.78 |
-1.2 |
0 |
|
|
78426 |
49689586 |
1 |
Cl2N3O3C18H19 |
A2B3C3D18E19 |
-70.45 |
4.67 |
-9.75 |
-0.98 |
0 |
|
|
78427 |
49689588 |
1 |
Cl2N3O3C18H19 |
A2B3C3D18E19 |
-69.21 |
7.0 |
-9.65 |
-1.05 |
0 |
|
|
78428 |
49689604 |
1 |
ClN4O5C18H19 |
AB4C5D18E19 |
-63.66 |
8.02 |
-9.74 |
-1.96 |
0 |
|
|
78429 |
49689610 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-105.34 |
7.47 |
-9.46 |
-0.18 |
0 |
|
|
78430 |
49689616 |
3 |
NO2C7H9 |
AB2C7D9 |
-165.01 |
6.12 |
-8.99 |
-0.31 |
0 |
|
|
78431 |
49689620 |
1 |
N3O4C24H25 |
A3B4C24D25 |
-60.57 |
6.85 |
-9.27 |
-0.6 |
0 |
|
|
78432 |
49689624 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-108.43 |
6.8 |
-8.49 |
-0.24 |
0 |
|
|
78433 |
49689625 |
1 |
N3O6C22H23 |
A3B6C22D23 |
-150.03 |
9.6 |
-9.32 |
-1.66 |
0 |
|
|
78434 |
49689626 |
1 |
Cl2N3O4C19H21 |
A2B3C4D19E21 |
-109.05 |
2.11 |
-9.31 |
-0.72 |
0 |
|
|
78435 |
49689631 |
1 |
N4O7C20H24 |
A4B7C20D24 |
-130.66 |
7.74 |
-9.39 |
-1.58 |
0 |
|
|
78436 |
49689632 |
1 |
SN4O5C20H26 |
AB4C5D20E26 |
-128.31 |
4.91 |
-9.7 |
-1.02 |
0 |
|
|
78437 |
49689633 |
1 |
BrN3O4C19H22 |
AB3C4D19E22 |
-93.55 |
4.49 |
-9.32 |
-0.73 |
0 |
|
|
78438 |
49689634 |
1 |
O4N5C23H27 |
A4B5C23D27 |
-92.88 |
6.25 |
-9.24 |
-0.98 |
0 |
|
|
78439 |
49689638 |
1 |
N4O5C23H28 |
A4B5C23D28 |
-138.11 |
4.23 |
-8.24 |
-0.23 |
0 |
|
|
78440 |
49689642 |
1 |
N3O6C23H29 |
A3B6C23D29 |
-151.64 |
3.42 |
-8.68 |
-0.65 |
0 |
|
|
78441 |
49689650 |
1 |
SN4O5C23H30 |
AB4C5D23E30 |
-140.25 |
6.06 |
-9.68 |
-0.99 |
0 |
|
|
78442 |
49689657 |
1 |
N4O4C15H24 |
A4B4C15D24 |
-126.03 |
7.11 |
-9.38 |
-0.09 |
0 |
|
|
78443 |
49689665 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-63.52 |
3.49 |
-8.6 |
-0.19 |
0 |
|
|
78444 |
49689701 |
1 |
O3N4C25H28 |
A3B4C25D28 |
-27.58 |
1.56 |
-9.43 |
-0.39 |
0 |
|
|
78445 |
49689728 |
1 |
O2S2N4C15H18 |
A2B2C4D15E18 |
-11.36 |
7.77 |
-9.58 |
-1.1 |
0 |
|
|
78446 |
49689731 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-28.99 |
7.85 |
-9.61 |
-1.11 |
0 |
|
|
78447 |
49689733 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-29.14 |
8.86 |
-9.57 |
-1.09 |
0 |
|
|
78448 |
49689736 |
1 |
SO3N4C17H20 |
AB3C4D17E20 |
-37.13 |
8.04 |
-9.47 |
-1.12 |
0 |
|
|
78449 |
49689743 |
1 |
SO2N4C18H28 |
AB2C4D18E28 |
-70.77 |
4.0 |
-9.9 |
-1.32 |
0 |
|
|
78450 |
49689746 |
1 |
SO2N4C18H30 |
AB2C4D18E30 |
-84.04 |
7.18 |
-9.59 |
-1.11 |
0 |
|
|
78451 |
49689750 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-31.12 |
5.32 |
-9.75 |
-1.31 |
0 |