List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
47985 |
10536162 |
1 |
ClNO4H6C7 |
ABC4D6E7 |
-110.15 |
3.42 |
-11.13 |
-1.12 |
0 |
|
|
47986 |
10536181 |
1 |
N2O2C11H12 |
A2B2C11D12 |
-40.71 |
3.92 |
-9.12 |
-0.31 |
0 |
|
|
47987 |
10536184 |
1 |
N2O2C11H12 |
A2B2C11D12 |
-38.52 |
7.52 |
-9.23 |
-0.48 |
0 |
|
|
47988 |
10536193 |
1 |
O2C13H16 |
A2B13C16 |
-34.62 |
0.7 |
-9.25 |
-0.03 |
0 |
|
|
47989 |
10536204 |
1 |
OC14H20 |
AB14C20 |
-48.98 |
5.51 |
-9.71 |
0.08 |
0 |
|
|
47990 |
10536207 |
1 |
SO2C10H20 |
AB2C10D20 |
-78.83 |
2.76 |
-8.39 |
0.61 |
0 |
|
|
47991 |
10536208 |
3 |
C5H8 |
A5B8 |
-19.28 |
1.0 |
-9.04 |
1.53 |
0 |
|
|
47992 |
10536212 |
1 |
SiC13H20 |
AB13C20 |
-20.0 |
1.56 |
-8.93 |
0.64 |
0 |
|
|
47993 |
10536215 |
2 |
ClNC4H5 |
ABC4D5 |
12.84 |
3.5 |
-9.74 |
-0.69 |
0 |
|
|
47994 |
10536232 |
1 |
NO2C12H15 |
AB2C12D15 |
-74.16 |
4.43 |
-8.95 |
0.51 |
0 |
|
|
47995 |
10536235 |
1 |
NH11C15 |
AB11C15 |
60.11 |
2.41 |
-8.8 |
-0.61 |
0 |
|
|
47996 |
10536240 |
1 |
NOC13H19 |
ABC13D19 |
-42.09 |
1.99 |
-8.88 |
0.46 |
0 |
|
|
47997 |
10536296 |
1 |
NO3C11H13 |
AB3C11D13 |
-83.31 |
1.06 |
-9.96 |
-0.25 |
0 |
|
|
47999 |
10536303 |
1 |
SN3O3C6H13 |
AB3C3D6E13 |
-81.3 |
6.44 |
-10.01 |
0.02 |
0 |
|
|
48000 |
10536322 |
1 |
NC14H25 |
AB14C25 |
-33.77 |
2.57 |
-8.09 |
1.53 |
0 |
|
|
48001 |
10536330 |
1 |
NCl2H3O3C6 |
AB2C3D3E6 |
-102.1 |
2.13 |
-9.95 |
-1.78 |
0 |
|
|
48002 |
10536347 |
1 |
O3C12H16 |
A3B12C16 |
-128.61 |
5.22 |
-8.72 |
0.23 |
0 |
|
|
48003 |
10536361 |
1 |
OSC12H16 |
ABC12D16 |
-42.24 |
1.32 |
-9.1 |
-0.27 |
0 |
|
|
48004 |
10536362 |
1 |
OSC12H16 |
ABC12D16 |
-28.48 |
2.65 |
-8.99 |
-0.18 |
0 |
|
|
48005 |
10536367 |
1 |
C15H28 |
A15B28 |
-28.86 |
0.58 |
-9.18 |
1.42 |
0 |
|
|
48006 |
10536378 |
1 |
NO4C10H11 |
AB4C10D11 |
-150.95 |
6.57 |
-9.68 |
-0.33 |
0 |
|
|
48007 |
10536382 |
1 |
NO3C11H15 |
AB3C11D15 |
-105.84 |
4.96 |
-10.04 |
-0.04 |
0 |
|
|
48008 |
10536384 |
1 |
NOH11C14 |
ABC11D14 |
3.95 |
3.25 |
-8.95 |
-0.37 |
0 |
|
|
48009 |
10536392 |
1 |
NO2C12H19 |
AB2C12D19 |
-77.33 |
5.25 |
-9.88 |
0.39 |
0 |
|
|
48010 |
10536394 |
1 |
NO2C12H19 |
AB2C12D19 |
-62.83 |
2.12 |
-8.3 |
0.26 |
0 |
|
|
48011 |
10536413 |
1 |
O4C11H14 |
A4B11C14 |
-144.72 |
2.35 |
-8.69 |
-0.51 |
0 |
|
|
48012 |
10536414 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-140.05 |
4.56 |
-9.93 |
-0.66 |
0 |
|
|
48013 |
10536478 |
1 |
NC15H17 |
AB15C17 |
33.77 |
4.08 |
-9.24 |
0.3 |
0 |
|
|
48014 |
10536481 |
1 |
NOC13H25 |
ABC13D25 |
-101.77 |
4.58 |
-9.57 |
1.38 |
0 |
|
|
48015 |
10536482 |
1 |
NC14H29 |
AB14C29 |
-40.06 |
1.26 |
-8.76 |
1.42 |
0 |
|
|
48016 |
10536488 |
1 |
IOC5H9 |
ABC5D9 |
-35.54 |
3.25 |
-9.51 |
-0.75 |
0 |
|
|
48017 |
10536496 |
2 |
NOH4C6 |
ABC4D6 |
-12.0 |
5.07 |
-8.46 |
-1.66 |
0 |
|
|
48018 |
10536540 |
1 |
O2N3H7C11 |
A2B3C7D11 |
64.46 |
2.48 |
-9.08 |
-1.37 |
0 |
|
|
48019 |
10536556 |
1 |
NOSiC11H23 |
ABCD11E23 |
-106.69 |
3.32 |
-8.98 |
1.16 |
0 |
|
|
48020 |
10536597 |
1 |
O3C12H22 |
A3B12C22 |
-157.43 |
4.08 |
-9.77 |
1.01 |
0 |
|
|
48021 |
10536616 |
1 |
BrON2C7H7 |
ABC2D7E7 |
17.31 |
2.67 |
-9.76 |
-0.96 |
0 |
|
|
48022 |
10536629 |
1 |
ON3C12H13 |
AB3C12D13 |
23.36 |
4.85 |
-8.68 |
-0.13 |
0 |
|
|
48023 |
10536635 |
1 |
NO3C11H21 |
AB3C11D21 |
-153.46 |
3.79 |
-9.38 |
1.74 |
0 |
|
|
48024 |
10536654 |
1 |
NC15H21 |
AB15C21 |
15.16 |
1.3 |
-8.17 |
0.53 |
0 |
|
|
48026 |
10536667 |
3 |
O2C3H4 |
A2B3C4 |
-272.69 |
5.2 |
-10.97 |
0.28 |
0 |
|
|
48027 |
10536691 |
2 |
OC7H8 |
AB7C8 |
-77.06 |
4.74 |
-8.92 |
-0.65 |
0 |
|
|
48028 |
10536692 |
2 |
OC7H8 |
AB7C8 |
-76.83 |
5.82 |
-9.13 |
-0.33 |
0 |
|
|
48029 |
10536697 |
1 |
ON2C13H16 |
AB2C13D16 |
-10.13 |
1.92 |
-9.44 |
0.46 |
0 |
|
|
48030 |
10536700 |
1 |
S2F3C7H11 |
A2B3C7D11 |
-187.84 |
3.89 |
-9.53 |
-1.65 |
0 |
|
|
48031 |
10536702 |
1 |
SN2C12H12 |
AB2C12D12 |
79.23 |
1.28 |
-9.39 |
-0.87 |
0 |
|
|
48032 |
10536704 |
1 |
OC15H20 |
AB15C20 |
-31.1 |
2.5 |
-9.2 |
0.5 |
0 |
|
|
48033 |
10536719 |
1 |
SiO2C11H24 |
AB2C11D24 |
-162.78 |
2.51 |
-9.02 |
0.43 |
0 |
|
|
48034 |
10536726 |
1 |
Cl2O2H6C9 |
A2B2C6D9 |
-27.22 |
4.35 |
-9.01 |
-0.64 |
0 |
|
|
48035 |
10536728 |
1 |
HNSC2O2F6 |
ABCD2E2F6 |
-383.78 |
1.51 |
-12.55 |
-1.88 |
0 |
|
|
48036 |
10536730 |
1 |
NH11C15 |
AB11C15 |
71.82 |
3.96 |
-9.41 |
-0.05 |
0 |
|
|
48037 |
10536742 |
1 |
ON5C10H11 |
AB5C10D11 |
41.89 |
1.65 |
-9.07 |
-0.78 |
0 |
|
|
48038 |
10536743 |
1 |
OSN3H7C10 |
ABC3D7E10 |
97.02 |
5.46 |
-9.22 |
-1.82 |
0 |
|
|
48039 |
10536744 |
1 |
OSN3H7C10 |
ABC3D7E10 |
29.25 |
6.62 |
-9.31 |
-1.37 |
0 |
|
|
48040 |
10536746 |
1 |
NO4C10H19 |
AB4C10D19 |
-196.81 |
3.53 |
-9.94 |
0.49 |
0 |
|
|
48041 |
10536750 |
1 |
NO2C13H15 |
AB2C13D15 |
-29.87 |
5.42 |
-8.15 |
-0.29 |
0 |
|
|
48042 |
10536752 |
1 |
NO2C13H15 |
AB2C13D15 |
-74.85 |
4.77 |
-9.03 |
-0.42 |
0 |
|
|
48044 |
10536764 |
1 |
ClNOH8C12 |
ABCD8E12 |
-2.1 |
1.84 |
-8.61 |
-0.51 |
0 |
|
|
48045 |
10536770 |
1 |
O2N3C5H11 |
A2B3C5D11 |
-75.47 |
5.29 |
-10.07 |
0.32 |
0 |
|
|
48047 |
10536775 |
1 |
FSO4H7C8 |
ABC4D7E8 |
-188.5 |
4.64 |
-9.53 |
-1.18 |
0 |
|
|
48048 |
10536779 |
1 |
N2O3H10C11 |
A2B3C10D11 |
5.36 |
7.49 |
-8.73 |
-1.52 |
0 |
|
|
48049 |
10536781 |
1 |
FO4C10H15 |
AB4C10D15 |
-229.2 |
1.64 |
-10.97 |
-0.86 |
0 |
|
|
48050 |
10536794 |
2 |
NOC6H7 |
ABC6D7 |
-42.62 |
3.25 |
-9.14 |
-0.74 |
0 |
|
|
48051 |
10536801 |
1 |
ON4C11H14 |
AB4C11D14 |
93.97 |
6.25 |
-9.19 |
-0.88 |
0 |
|
|
48052 |
10536803 |
1 |
SO2H10C12 |
AB2C10D12 |
-42.31 |
6.8 |
-9.56 |
-1.37 |
0 |
|
|
48053 |
10536825 |
1 |
SiO3C10H22 |
AB3C10D22 |
-189.69 |
3.23 |
-8.92 |
0.87 |
0 |
|
|
48054 |
10536827 |
2 |
C8H13 |
A8B13 |
-33.22 |
0.18 |
-8.91 |
0.51 |
0 |
|
|
48055 |
10536832 |
1 |
ClOSiC10H19 |
ABCD10E19 |
-95.9 |
3.12 |
-9.24 |
0.35 |
0 |
|
|
48056 |
10536837 |
1 |
N3O3H9C10 |
A3B3C9D10 |
-12.2 |
4.14 |
-9.93 |
-1.71 |
0 |
|
|
48057 |
10536852 |
1 |
N3H9C14 |
A3B9C14 |
121.33 |
4.45 |
-9.02 |
-0.96 |
0 |
|
|
48058 |
10536874 |
1 |
NOC14H21 |
ABC14D21 |
-38.95 |
2.41 |
-8.6 |
0.42 |
0 |
|
|
48059 |
10536884 |
4 |
OC3H3 |
AB3C3 |
-135.61 |
5.17 |
-9.01 |
-0.36 |
0 |
|
|
48060 |
10536885 |
4 |
OC3H3 |
AB3C3 |
-123.18 |
4.37 |
-8.78 |
-0.4 |
0 |
|
|
48061 |
10536891 |
1 |
N2O3C11H12 |
A2B3C11D12 |
-37.63 |
3.48 |
-9.78 |
-1.1 |
0 |
|
|
48062 |
10536895 |
1 |
O3C13H16 |
A3B13C16 |
-125.2 |
1.2 |
-9.4 |
0.2 |
0 |
|
|
48063 |
10536899 |
1 |
O3C13H16 |
A3B13C16 |
-125.08 |
4.67 |
-8.85 |
0.15 |
0 |