List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
350985 |
127279295 |
1 |
SN2O2C11H24 |
AB2C2D11E24 |
-116.03 |
3.98 |
-9.42 |
0.21 |
0 |
|
|
350986 |
127279296 |
1 |
SO2N3C10H17 |
AB2C3D10E17 |
-59.42 |
5.39 |
-9.27 |
0.08 |
0 |
|
|
350987 |
127279297 |
1 |
SN2O2C12H24 |
AB2C2D12E24 |
-110.71 |
4.51 |
-9.31 |
0.21 |
0 |
|
|
350988 |
127279298 |
1 |
SN2O2C11H22 |
AB2C2D11E22 |
-112.73 |
3.76 |
-9.42 |
0.26 |
0 |
|
|
350989 |
127279299 |
1 |
SN2O2C15H22 |
AB2C2D15E22 |
-75.39 |
4.2 |
-9.24 |
0.06 |
0 |
|
|
350990 |
127279300 |
1 |
SN2O2C12H24 |
AB2C2D12E24 |
-119.56 |
3.66 |
-9.38 |
0.28 |
0 |
|
|
350991 |
127279301 |
1 |
SN2O2C12H24 |
AB2C2D12E24 |
-114.6 |
4.07 |
-9.32 |
0.24 |
0 |
|
|
350992 |
127279302 |
1 |
SN2O2C10H22 |
AB2C2D10E22 |
-114.25 |
3.81 |
-9.43 |
0.25 |
0 |
|
|
350993 |
127279303 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-83.22 |
6.16 |
-9.17 |
0.36 |
0 |
|
|
350994 |
127279403 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-160.27 |
5.56 |
-8.83 |
0.05 |
0 |
|
|
350995 |
127279404 |
1 |
SN2O3C20H30 |
AB2C3D20E30 |
-133.49 |
9.49 |
-9.31 |
0.25 |
0 |
|
|
350996 |
127279405 |
1 |
NO2C18H29 |
AB2C18D29 |
-150.09 |
2.88 |
-9.28 |
1.39 |
0 |
|
|
350997 |
127279406 |
1 |
O2N3C9H17 |
A2B3C9D17 |
-113.59 |
1.3 |
-9.36 |
0.68 |
0 |
|
|
350998 |
127279435 |
1 |
ON2C15H22 |
AB2C15D22 |
-56.04 |
4.1 |
-8.82 |
0.38 |
0 |
|
|
350999 |
127279436 |
1 |
FON2C14H19 |
ABC2D14E19 |
-96.72 |
6.06 |
-8.64 |
0.11 |
0 |
|
|
351000 |
127279437 |
1 |
O2N7C16H23 |
A2B7C16D23 |
10.9 |
10.82 |
-9.13 |
-0.96 |
0 |
|
|
351001 |
127279438 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-160.43 |
2.44 |
-8.28 |
0.02 |
0 |
|
|
351002 |
127279439 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-109.64 |
3.88 |
-8.16 |
0.2 |
0 |
|
|
351003 |
127279440 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-109.25 |
6.77 |
-8.15 |
0.02 |
0 |
|
|
351004 |
127279441 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-121.82 |
1.84 |
-8.16 |
0.06 |
0 |
|
|
351005 |
127279442 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-72.96 |
6.89 |
-8.08 |
0.16 |
0 |
|
|
351006 |
127279443 |
1 |
OSN4C16H26 |
ABC4D16E26 |
-13.0 |
6.69 |
-9.28 |
-0.84 |
0 |
|
|
351007 |
127279444 |
1 |
SO2N4C20H26 |
AB2C4D20E26 |
-43.63 |
4.88 |
-8.28 |
-0.46 |
0 |
|
|
351008 |
127279445 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-122.47 |
6.87 |
-8.05 |
0.17 |
0 |
|
|
351009 |
127279446 |
1 |
N3O5C21H21 |
A3B5C21D21 |
-144.6 |
5.11 |
-8.45 |
-0.38 |
0 |
|
|
351010 |
127279447 |
1 |
N3O4C20H31 |
A3B4C20D31 |
-169.45 |
2.82 |
-8.28 |
0.12 |
0 |
|
|
351011 |
127279448 |
1 |
ClN2O5H17C19 |
AB2C5D17E19 |
-134.64 |
2.8 |
-8.53 |
-0.39 |
0 |
|
|
351012 |
127279449 |
1 |
ClN2O3C14H17 |
AB2C3D14E17 |
-113.72 |
3.82 |
-8.39 |
-0.26 |
0 |
|
|
351013 |
127279450 |
1 |
SO2N3C20H23 |
AB2C3D20E23 |
-37.23 |
7.96 |
-8.57 |
-0.9 |
0 |
|
|
351014 |
127279451 |
1 |
N3O4H19C20 |
A3B4C19D20 |
-81.67 |
3.98 |
-8.68 |
-0.35 |
0 |
|
|
351015 |
127279452 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-95.07 |
7.69 |
-8.28 |
-0.06 |
0 |
|
|
351016 |
127279453 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-72.49 |
6.35 |
-8.85 |
-0.11 |
0 |
|
|
351017 |
127279454 |
1 |
ON4C20H26 |
AB4C20D26 |
7.33 |
1.43 |
-8.83 |
-0.26 |
0 |
|
|
351018 |
127279455 |
1 |
ClO2N3C19H24 |
AB2C3D19E24 |
-86.17 |
5.21 |
-8.51 |
-0.11 |
0 |
|
|
351019 |
127279456 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-160.04 |
2.94 |
-8.02 |
0.09 |
0 |
|
|
351020 |
127279457 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-105.64 |
5.07 |
-8.21 |
0.01 |
0 |
|
|
351021 |
127279458 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-56.81 |
4.28 |
-8.68 |
-0.5 |
0 |
|
|
351022 |
127279459 |
2 |
NO2C10H10 |
AB2C10D10 |
-102.08 |
2.78 |
-8.19 |
-0.04 |
0 |
|
|
351023 |
127279460 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-80.48 |
3.64 |
-8.06 |
0.22 |
0 |
|
|
351024 |
127279461 |
1 |
SN2O3C20H28 |
AB2C3D20E28 |
-119.55 |
9.54 |
-9.27 |
-0.41 |
0 |
|
|
351025 |
127279462 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-130.96 |
5.22 |
-8.61 |
0.1 |
0 |
|
|
351026 |
127279463 |
2 |
ON2C10H15 |
AB2C10D15 |
-71.15 |
6.01 |
-7.99 |
0.05 |
0 |
|
|
351027 |
127279464 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-112.78 |
3.05 |
-8.21 |
0.11 |
0 |
|
|
351028 |
127279465 |
1 |
ON4C20H26 |
AB4C20D26 |
1.8 |
3.61 |
-8.72 |
-0.1 |
0 |
|
|
351029 |
127279466 |
1 |
ON4C22H30 |
AB4C22D30 |
-11.88 |
1.32 |
-8.86 |
0.03 |
0 |
|
|
351030 |
127279467 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-114.98 |
4.21 |
-8.18 |
0.18 |
0 |
|
|
351031 |
127279468 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-123.11 |
2.98 |
-8.7 |
0.12 |
0 |
|
|
351032 |
127279469 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-85.56 |
5.81 |
-8.93 |
-0.23 |
0 |
|
|
351033 |
127279470 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-81.51 |
6.25 |
-8.87 |
-0.08 |
0 |
|
|
351034 |
127279471 |
1 |
O2N3C23H33 |
A2B3C23D33 |
-89.44 |
6.5 |
-8.97 |
-0.12 |
0 |
|
|
351035 |
127279472 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-84.95 |
5.51 |
-8.85 |
-0.06 |
0 |
|
|
351036 |
127279473 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-114.43 |
5.9 |
-8.46 |
0.16 |
0 |
|
|
351037 |
127279474 |
1 |
ON5C18H23 |
AB5C18D23 |
25.57 |
4.27 |
-9.02 |
-0.26 |
0 |
|
|
351038 |
127279475 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-117.95 |
5.04 |
-8.11 |
0.13 |
0 |
|
|
351039 |
127279476 |
1 |
OSN4C13H22 |
ABC4D13E22 |
-28.8 |
6.55 |
-9.34 |
-0.71 |
0 |
|
|
351040 |
127279477 |
1 |
FSN3O3C18H24 |
ABC3D3E18F24 |
-150.68 |
6.26 |
-8.46 |
-0.08 |
0 |
|
|
351041 |
127279478 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-85.31 |
5.86 |
-8.88 |
-0.11 |
0 |
|
|
351042 |
127279479 |
1 |
O3N4C15H28 |
A3B4C15D28 |
-140.76 |
2.62 |
-8.88 |
0.48 |
0 |
|
|
351043 |
127279480 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-108.7 |
2.16 |
-9.19 |
0.48 |
0 |
|
|
351044 |
127279481 |
1 |
ON2C12H22 |
AB2C12D22 |
-62.29 |
3.87 |
-9.04 |
1.28 |
0 |
|
|
351045 |
127279482 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-106.11 |
4.51 |
-8.62 |
0.01 |
0 |
|
|
351046 |
127279483 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-123.23 |
4.27 |
-8.37 |
0.26 |
0 |
|
|
351047 |
127279484 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-119.1 |
5.76 |
-8.36 |
0.21 |
0 |
|
|
351048 |
127279485 |
1 |
SO3N5C18H29 |
AB3C5D18E29 |
-95.04 |
6.56 |
-8.56 |
-0.49 |
0 |
|
|
351049 |
127279486 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-31.35 |
8.0 |
-8.69 |
-0.19 |
0 |
|
|
351050 |
127279487 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-112.83 |
6.83 |
-8.65 |
-0.4 |
0 |
|
|
351051 |
127279488 |
1 |
N2O5C21H22 |
A2B5C21D22 |
-148.09 |
3.21 |
-8.26 |
-0.01 |
0 |
|
|
351052 |
127279489 |
1 |
ON4C19H24 |
AB4C19D24 |
16.62 |
5.48 |
-8.82 |
-0.09 |
0 |
|
|
351053 |
127279490 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-63.23 |
5.71 |
-8.77 |
-0.34 |
0 |
|
|
351054 |
127279491 |
1 |
O2N5C17H29 |
A2B5C17D29 |
-76.85 |
3.78 |
-8.98 |
-0.42 |
0 |
|
|
351055 |
127279492 |
1 |
SO2N4C20H32 |
AB2C4D20E32 |
-74.4 |
4.88 |
-8.25 |
0.12 |
0 |
|
|
351056 |
127279493 |
1 |
SO2N4C20H32 |
AB2C4D20E32 |
-79.21 |
2.57 |
-8.54 |
-0.04 |
0 |
|
|
351057 |
127279494 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-38.17 |
8.8 |
-8.35 |
-0.32 |
0 |
|
|
351058 |
127279495 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-100.35 |
1.8 |
-8.3 |
-0.2 |
0 |
|
|
351059 |
127279496 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-111.23 |
2.3 |
-8.13 |
0.08 |
0 |
|
|
351060 |
127279497 |
2 |
NOC8H11 |
ABC8D11 |
-90.02 |
3.0 |
-8.01 |
0.34 |
0 |
|
|
351061 |
127279498 |
1 |
O2F3N4C18H19 |
A2B3C4D18E19 |
-147.91 |
7.74 |
-9.0 |
-1.2 |
0 |
|
|
351062 |
127279499 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-74.38 |
5.51 |
-8.83 |
-0.14 |
0 |
|
|
351063 |
127279500 |
1 |
SN3O5C17H25 |
AB3C5D17E25 |
-184.29 |
9.78 |
-8.36 |
-0.51 |
0 |
|
|
351064 |
127279501 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-114.27 |
9.33 |
-8.47 |
-0.44 |
0 |
|
|
351065 |
127279502 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-109.85 |
9.71 |
-8.45 |
-0.55 |
0 |
|
|
351066 |
127279503 |
1 |
SN4O5C17H22 |
AB4C5D17E22 |
-111.28 |
7.06 |
-8.52 |
-1.09 |
0 |
|
|
351067 |
127279504 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-78.99 |
7.38 |
-8.92 |
-0.47 |
0 |
|
|
351068 |
127279505 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-116.9 |
7.6 |
-8.8 |
-0.42 |
0 |
|
|
351069 |
127279506 |
1 |
SN4O4C18H28 |
AB4C4D18E28 |
-145.27 |
6.59 |
-8.45 |
-0.64 |
0 |
|
|
351070 |
127279507 |
1 |
SN2O5C16H20 |
AB2C5D16E20 |
-178.99 |
7.44 |
-8.77 |
-0.06 |
0 |
|
|
351071 |
127279508 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-149.58 |
4.3 |
-8.72 |
-0.07 |
0 |
|
|
351072 |
127279509 |
1 |
O3N5C20H37 |
A3B5C20D37 |
-159.52 |
4.19 |
-8.95 |
1.01 |
0 |
|
|
351073 |
127279510 |
2 |
ON2C8H16 |
AB2C8D16 |
-115.59 |
4.25 |
-8.64 |
1.34 |
0 |
|
|
351074 |
127279511 |
1 |
ON5C12H21 |
AB5C12D21 |
-28.59 |
4.84 |
-9.45 |
0.31 |
0 |
|
|
351075 |
127279512 |
1 |
ON2C11H22 |
AB2C11D22 |
-86.93 |
3.46 |
-9.18 |
1.38 |
0 |
|
|
351076 |
127279513 |
1 |
ON2C11H22 |
AB2C11D22 |
-88.14 |
3.76 |
-9.12 |
1.38 |
0 |
|
|
351077 |
127279514 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-127.71 |
4.59 |
-9.34 |
1.0 |
0 |
|
|
351078 |
127279515 |
1 |
ON5C13H21 |
AB5C13D21 |
-19.64 |
5.84 |
-9.45 |
0.41 |
0 |
|
|
351079 |
127279516 |
2 |
NOC6H11 |
ABC6D11 |
-117.75 |
5.85 |
-9.17 |
1.27 |
0 |
|
|
351080 |
127279517 |
1 |
SN2O3C11H20 |
AB2C3D11E20 |
-156.6 |
9.12 |
-9.61 |
0.78 |
0 |
|
|
351081 |
127279518 |
1 |
ON3C16H31 |
AB3C16D31 |
-104.35 |
4.67 |
-8.85 |
1.44 |
0 |
|
|
351082 |
127279519 |
1 |
ON2C12H24 |
AB2C12D24 |
-93.21 |
4.12 |
-9.06 |
1.44 |
0 |
|
|
351083 |
127279520 |
1 |
O3N4C20H38 |
A3B4C20D38 |
-160.84 |
1.86 |
-8.76 |
1.42 |
0 |
|
|
351084 |
127279521 |
2 |
NOC8H11 |
ABC8D11 |
-87.9 |
4.01 |
-8.9 |
0.02 |
0 |