List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
50896 |
12013487 |
1 |
ON2H12C14 |
AB2C12D14 |
4.98 |
0.85 |
-8.99 |
-1.28 |
0 |
|
|
50897 |
12013488 |
1 |
BrON2H11C14 |
ABC2D11E14 |
6.67 |
2.33 |
-9.08 |
-1.52 |
0 |
|
|
50898 |
12013489 |
1 |
ON2C16H16 |
AB2C16D16 |
1.8 |
0.91 |
-8.98 |
-1.27 |
0 |
|
|
50899 |
12013490 |
1 |
NBr2C6H7 |
AB2C6D7 |
26.59 |
1.7 |
-10.73 |
-0.72 |
0 |
|
|
50900 |
12013491 |
1 |
Br2O2C7H10 |
A2B2C7D10 |
-91.0 |
3.08 |
-10.52 |
-0.48 |
0 |
|
|
50901 |
12013492 |
1 |
BrNOC7H10 |
ABCD7E10 |
-13.4 |
5.69 |
-10.41 |
-0.52 |
0 |
|
|
50902 |
12013493 |
1 |
BrNOC7H10 |
ABCD7E10 |
-14.79 |
3.73 |
-10.36 |
-0.44 |
0 |
|
|
50903 |
12013494 |
1 |
BrNC6H6 |
ABC6D6 |
87.86 |
2.4 |
-10.41 |
-0.88 |
0 |
|
|
50904 |
12013495 |
1 |
BrNC6H6 |
ABC6D6 |
49.76 |
2.92 |
-10.04 |
-0.2 |
0 |
|
|
50905 |
12013497 |
1 |
NOC7H9 |
ABC7D9 |
9.59 |
4.8 |
-9.09 |
0.95 |
0 |
|
|
50906 |
12013498 |
1 |
SN3C7H15 |
AB3C7D15 |
-5.68 |
1.55 |
-9.17 |
-0.05 |
0 |
|
|
50907 |
12013500 |
1 |
OC11H12 |
AB11C12 |
-2.23 |
3.35 |
-9.91 |
-0.45 |
0 |
|
|
50908 |
12013501 |
1 |
OH14C16 |
AB14C16 |
31.55 |
2.95 |
-9.46 |
-0.44 |
0 |
|
|
50909 |
12013502 |
1 |
OH14C18 |
AB14C18 |
84.49 |
3.02 |
-9.2 |
-0.42 |
0 |
|
|
50910 |
12013503 |
1 |
OH14C18 |
AB14C18 |
83.6 |
3.16 |
-9.34 |
-0.59 |
0 |
|
|
50911 |
12013504 |
1 |
OC13H14 |
AB13C14 |
19.49 |
3.08 |
-9.94 |
-0.47 |
0 |
|
|
50912 |
12013505 |
1 |
OC13H14 |
AB13C14 |
-1.38 |
3.39 |
-9.89 |
-0.43 |
0 |
|
|
50913 |
12013506 |
1 |
OH14C17 |
AB14C17 |
36.89 |
3.41 |
-9.08 |
-0.5 |
0 |
|
|
50914 |
12013507 |
1 |
SO2N5H19C21 |
AB2C5D19E21 |
54.77 |
4.09 |
-8.38 |
-0.74 |
0 |
|
|
50915 |
12013508 |
1 |
OSN5H15C19 |
ABC5D15E19 |
113.4 |
2.16 |
-8.42 |
-0.87 |
0 |
|
|
50916 |
12013509 |
1 |
OSN5H17C20 |
ABC5D17E20 |
105.57 |
7.41 |
-8.48 |
-0.88 |
0 |
|
|
50917 |
12013510 |
1 |
SO3N5H15C19 |
AB3C5D15E19 |
59.62 |
10.38 |
-8.48 |
-1.98 |
0 |
|
|
50918 |
12013511 |
1 |
SO3N5H17C20 |
AB3C5D17E20 |
49.53 |
11.27 |
-8.43 |
-1.87 |
0 |
|
|
50919 |
12013512 |
1 |
SO2N5H13C18 |
AB2C5D13E18 |
105.81 |
10.96 |
-8.48 |
-2.0 |
0 |
|
|
50920 |
12013514 |
1 |
FO2C11H13 |
AB2C11D13 |
-125.01 |
1.15 |
-9.8 |
-0.24 |
0 |
|
|
50921 |
12013515 |
1 |
NO2C18H21 |
AB2C18D21 |
-42.14 |
3.89 |
-7.99 |
0.07 |
0 |
|
|
50922 |
12013516 |
1 |
O3C12H16 |
A3B12C16 |
-118.1 |
3.72 |
-8.94 |
0.14 |
0 |
|
|
50923 |
12013517 |
1 |
O2C17H18 |
A2B17C18 |
-54.2 |
4.0 |
-9.35 |
-0.17 |
0 |
|
|
50924 |
12013518 |
1 |
O2C15H16 |
A2B15C16 |
-60.84 |
2.31 |
-9.03 |
-0.59 |
0 |
|
|
50925 |
12013519 |
1 |
FNO2C18H20 |
ABC2D18E20 |
-90.65 |
1.52 |
-8.04 |
-0.22 |
0 |
|
|
50926 |
12013520 |
1 |
ClNO2C18H20 |
ABC2D18E20 |
-52.33 |
3.55 |
-8.06 |
-0.37 |
0 |
|
|
50927 |
12013521 |
1 |
BrNO2C18H20 |
ABC2D18E20 |
-39.01 |
2.64 |
-8.06 |
-0.21 |
0 |
|
|
50928 |
12013523 |
1 |
NO2C19H23 |
AB2C19D23 |
-49.03 |
3.93 |
-7.96 |
0.22 |
0 |
|
|
50929 |
12013524 |
1 |
NO2C22H23 |
AB2C22D23 |
-26.83 |
2.68 |
-7.81 |
-0.42 |
0 |
|
|
50930 |
12013525 |
1 |
ClN2O2H11C16 |
AB2C2D11E16 |
-15.88 |
2.92 |
-8.99 |
-1.58 |
0 |
|
|
50931 |
12013526 |
1 |
ClN2O2H11C16 |
AB2C2D11E16 |
-16.68 |
4.32 |
-9.08 |
-1.55 |
0 |
|
|
50932 |
12013529 |
1 |
N3O4H11C16 |
A3B4C11D16 |
-5.27 |
1.04 |
-9.35 |
-1.93 |
0 |
|
|
50933 |
12013530 |
1 |
O2N3H11C17 |
A2B3C11D17 |
25.59 |
3.8 |
-9.26 |
-1.72 |
0 |
|
|
50934 |
12013531 |
1 |
O2N3H11C17 |
A2B3C11D17 |
26.42 |
6.15 |
-9.24 |
-1.86 |
0 |
|
|
50935 |
12013532 |
1 |
N2O2H14C17 |
A2B2C14D17 |
-17.09 |
4.56 |
-8.74 |
-1.31 |
0 |
|
|
50936 |
12013534 |
1 |
O3C17H30 |
A3B17C30 |
-180.48 |
3.54 |
-9.91 |
0.45 |
0 |
|
|
50937 |
12013536 |
4 |
OH5C7 |
AB5C7 |
-64.9 |
3.32 |
-9.34 |
-1.47 |
0 |
|
|
50938 |
12013537 |
1 |
NH21C22 |
AB21C22 |
63.2 |
1.45 |
-8.17 |
0.17 |
0 |
|
|
50939 |
12013538 |
1 |
O4C11H20 |
A4B11C20 |
-228.14 |
2.66 |
-10.67 |
0.82 |
0 |
|
|
50941 |
12013540 |
1 |
OH22C29 |
AB22C29 |
88.03 |
3.0 |
-8.25 |
-0.66 |
0 |
|
|
50942 |
12013541 |
1 |
FO4C8H11 |
AB4C8D11 |
-223.33 |
4.52 |
-10.69 |
-0.08 |
0 |
|
|
50943 |
12013542 |
1 |
FO4C8H11 |
AB4C8D11 |
-223.45 |
4.76 |
-10.69 |
-0.06 |
0 |
|
|
50944 |
12013544 |
2 |
O2H5C6 |
A2B5C6 |
-121.47 |
3.47 |
-9.72 |
-1.59 |
0 |
|
|
50945 |
12013545 |
1 |
O4C15H16 |
A4B15C16 |
-147.02 |
4.52 |
-9.57 |
-1.41 |
0 |
|
|
50946 |
12013546 |
1 |
O3H10C12 |
A3B10C12 |
-79.53 |
3.18 |
-9.61 |
-1.44 |
0 |
|
|
50947 |
12013547 |
1 |
O3H12C13 |
A3B12C13 |
-82.65 |
3.08 |
-9.6 |
-1.44 |
0 |
|
|
50948 |
12013548 |
1 |
O3H12C14 |
A3B12C14 |
-79.09 |
6.91 |
-9.81 |
-0.58 |
0 |
|
|
50949 |
12013549 |
1 |
NO2S2C13H15 |
AB2C2D13E15 |
-1.82 |
5.78 |
-8.28 |
-0.72 |
0 |
|
|
50950 |
12013550 |
1 |
NO2S2C14H15 |
AB2C2D14E15 |
23.46 |
6.15 |
-8.3 |
-0.79 |
0 |
|
|
50951 |
12013551 |
1 |
NO2S2C16H19 |
AB2C2D16E19 |
-10.2 |
5.9 |
-8.23 |
-0.66 |
0 |
|
|
50952 |
12013552 |
1 |
NO2S2C17H21 |
AB2C2D17E21 |
-14.21 |
6.33 |
-8.22 |
-0.66 |
0 |
|
|
50953 |
12013553 |
1 |
NS2O8C22H25 |
AB2C8D22E25 |
-276.43 |
4.52 |
-8.3 |
-0.84 |
0 |
|
|
50954 |
12013554 |
1 |
ON3C21H21 |
AB3C21D21 |
39.94 |
3.98 |
-8.76 |
-0.42 |
0 |
|
|
50955 |
12013555 |
2 |
ON2C9H12 |
AB2C9D12 |
-67.58 |
3.18 |
-9.03 |
-0.9 |
0 |
|
|
50956 |
12013557 |
1 |
ON4C13H16 |
AB4C13D16 |
-0.15 |
4.84 |
-9.24 |
-1.11 |
0 |
|
|
50957 |
12013558 |
1 |
ON3C11H17 |
AB3C11D17 |
-42.94 |
4.21 |
-9.12 |
-0.18 |
0 |
|
|
50958 |
12013559 |
1 |
ON3C13H15 |
AB3C13D15 |
-0.37 |
5.19 |
-9.36 |
-1.12 |
0 |
|
|
50960 |
12013562 |
2 |
ON3C12H16 |
AB3C12D16 |
-40.91 |
2.3 |
-9.11 |
-0.97 |
0 |
|
|
50962 |
12013565 |
1 |
N2O5H20C24 |
A2B5C20D24 |
-71.45 |
4.16 |
-9.72 |
-0.58 |
0 |
|
|
50963 |
12013566 |
1 |
N2O5H22C25 |
A2B5C22D25 |
-81.51 |
3.31 |
-9.4 |
-0.6 |
0 |
|
|
50964 |
12013569 |
1 |
O3C17H18 |
A3B17C18 |
-73.7 |
1.13 |
-8.94 |
-0.56 |
0 |
|
|
50965 |
12013570 |
1 |
F3O3C14H15 |
A3B3C14D15 |
-253.38 |
3.0 |
-10.39 |
-0.82 |
0 |
|
|
50966 |
12013571 |
1 |
NO5C13H15 |
AB5C13D15 |
-95.2 |
5.04 |
-10.68 |
-1.52 |
0 |
|
|
50967 |
12013572 |
1 |
O3C28H38 |
A3B28C38 |
-106.92 |
1.27 |
-8.92 |
0.11 |
0 |
|
|
50968 |
12013573 |
1 |
NO2C25H25 |
AB2C25D25 |
11.51 |
1.53 |
-8.8 |
-0.08 |
0 |
|
|
50969 |
12013574 |
1 |
O4F9H9C12 |
A4B9C9D12 |
-642.24 |
4.61 |
-9.98 |
-1.14 |
0 |
|
|
50970 |
12013576 |
3 |
FOC3H3 |
ABC3D3 |
-263.88 |
2.77 |
-8.88 |
-0.26 |
0 |
|
|
50971 |
12013577 |
1 |
O2F3C9H9 |
A2B3C9D9 |
-237.96 |
5.1 |
-9.49 |
-0.47 |
0 |
|
|
50972 |
12013578 |
1 |
O2F3C18H19 |
A2B3C18D19 |
-239.66 |
3.16 |
-8.75 |
0.05 |
0 |
|
|
50973 |
12013579 |
1 |
CrNO6C15H29 |
ABC6D15E29 |
-85.96 |
12.29 |
-7.23 |
-1.15 |
0 |