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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
60051 |
26675419 |
1 |
ClSN3O4C22H31 |
ABC3D4E22F31 |
-117.81 |
7.66 |
0.0 |
0.0 |
0 |
|
|
60052 |
26675621 |
1 |
FSO2N3H22C24 |
ABC2D3E22F24 |
-55.5 |
1.33 |
-9.19 |
-1.39 |
0 |
|
|
60053 |
26675622 |
1 |
FSN3O3H20C23 |
ABC3D3E20F23 |
-83.72 |
0.82 |
-8.75 |
-1.43 |
0 |
|
|
60054 |
26675623 |
1 |
SO2N3F4H11C20 |
AB2C3D4E11F20 |
-165.95 |
3.84 |
-9.36 |
-1.6 |
0 |
|
|
60055 |
26675624 |
1 |
FSO2N3H20C23 |
ABC2D3E20F23 |
-60.08 |
1.25 |
-8.88 |
-1.44 |
0 |
|
|
60056 |
26675625 |
1 |
FSN3O3H18C22 |
ABC3D3E18F22 |
-78.36 |
1.84 |
-8.89 |
-1.39 |
0 |
|
|
60057 |
26675626 |
1 |
FSN3O4H18C22 |
ABC3D4E18F22 |
-120.05 |
2.47 |
-8.94 |
-1.52 |
0 |
|
|
60058 |
26675627 |
1 |
OSN2F4H12C20 |
ABC2D4E12F20 |
-155.8 |
5.41 |
-9.03 |
-1.34 |
0 |
|
|
60059 |
26675629 |
1 |
FSO2N3C26H26 |
ABC2D3E26F26 |
-67.07 |
1.22 |
-9.09 |
-1.43 |
0 |
|
|
60060 |
26675630 |
1 |
BrFSO2N4H12C21 |
ABCD2E4F12G21 |
27.61 |
1.57 |
-9.1 |
-1.53 |
0 |
|
|
60061 |
26675631 |
1 |
FSN3O5H20C23 |
ABC3D5E20F23 |
-147.2 |
4.21 |
-8.54 |
-1.56 |
0 |
|
|
60062 |
26675633 |
1 |
FSCl2O2N3H14C21 |
ABC2D2E3F14G21 |
-55.18 |
1.52 |
-9.1 |
-1.4 |
0 |
|
|
60063 |
26675634 |
1 |
FSN3O3H12C19 |
ABC3D3E12F19 |
0.72 |
3.12 |
-9.03 |
-1.74 |
0 |
|
|
60064 |
26675636 |
1 |
O3N5C21H21 |
A3B5C21D21 |
-14.54 |
2.14 |
-8.77 |
-1.06 |
0 |
|
|
60065 |
26675637 |
1 |
SN3O5C24H27 |
AB3C5D24E27 |
-175.14 |
3.7 |
-8.59 |
-0.7 |
0 |
|
|
60066 |
26675638 |
1 |
SN3O5C24H27 |
AB3C5D24E27 |
-169.69 |
3.3 |
-9.13 |
-0.84 |
0 |
|
|
60067 |
26675639 |
1 |
N4O5C20H24 |
A4B5C20D24 |
-123.23 |
4.92 |
-8.48 |
-0.66 |
0 |
|
|
60068 |
26675640 |
1 |
ClN3O3C19H20 |
AB3C3D19E20 |
-91.31 |
3.07 |
-9.2 |
-1.0 |
0 |
|
|
60069 |
26675641 |
1 |
FN3O3C19H20 |
AB3C3D19E20 |
-128.85 |
4.24 |
-9.22 |
-0.9 |
0 |
|
|
60070 |
26675642 |
1 |
BrO3N4C18H19 |
AB3C4D18E19 |
-46.09 |
3.83 |
-9.77 |
-1.03 |
0 |
|
|
60071 |
26675643 |
1 |
ClN3O3C19H20 |
AB3C3D19E20 |
-86.02 |
3.13 |
-9.17 |
-0.97 |
0 |
|
|
60072 |
26675644 |
1 |
FN3O3C19H20 |
AB3C3D19E20 |
-123.25 |
4.48 |
-9.23 |
-0.92 |
0 |
|
|
60073 |
26675645 |
1 |
BrO3N4C18H19 |
AB3C4D18E19 |
-41.0 |
3.58 |
-9.78 |
-1.03 |
0 |
|
|
60074 |
26675646 |
1 |
ON4H10C14 |
AB4C10D14 |
137.36 |
3.54 |
-9.53 |
-1.21 |
0 |
|
|
60075 |
26675647 |
1 |
FO2N4H11C16 |
AB2C4D11E16 |
58.25 |
4.31 |
-9.54 |
-1.2 |
0 |
|
|
60076 |
26675649 |
2 |
FNO2H6C8 |
ABC2D6E8 |
-97.33 |
4.28 |
-9.48 |
-0.94 |
0 |
|
|
60077 |
26675652 |
1 |
N2F3O3H13C18 |
A2B3C3D13E18 |
-141.63 |
2.61 |
-9.27 |
-0.97 |
0 |
|
|
60078 |
26675654 |
1 |
O2N6C13H16 |
A2B6C13D16 |
34.11 |
3.75 |
-9.14 |
-0.34 |
0 |
|
|
60079 |
26675655 |
2 |
NO2C11H11 |
AB2C11D11 |
-56.64 |
2.34 |
-8.57 |
-0.99 |
0 |
|
|
60080 |
26675657 |
1 |
FN2O4H15C19 |
AB2C4D15E19 |
-75.87 |
2.26 |
-9.32 |
-1.18 |
0 |
|
|
60081 |
26675658 |
1 |
N2O5H14C17 |
A2B5C14D17 |
-33.03 |
5.08 |
-9.55 |
-1.01 |
0 |
|
|
60082 |
26675659 |
1 |
N2O3H20C23 |
A2B3C20D23 |
34.61 |
2.76 |
-8.48 |
-0.7 |
0 |
|
|
60083 |
26675660 |
1 |
FN2O4H21C25 |
AB2C4D21E25 |
-41.72 |
3.23 |
-8.4 |
-0.89 |
0 |
|
|
60084 |
26675662 |
1 |
N2O5H20C23 |
A2B5C20D23 |
-0.63 |
5.09 |
-8.64 |
-0.75 |
0 |
|
|
60085 |
26675663 |
1 |
F2N2O5H14C17 |
A2B2C5D14E17 |
-135.78 |
5.75 |
-9.02 |
-0.84 |
0 |
|
|
60086 |
26675664 |
1 |
FNO2H14C17 |
ABC2D14E17 |
-47.92 |
6.53 |
-9.37 |
-1.16 |
0 |
|
|
60087 |
26675665 |
1 |
NF2O3H15C19 |
AB2C3D15E19 |
-125.98 |
5.63 |
-9.46 |
-1.2 |
0 |
|
|
60088 |
26675666 |
1 |
FNO4H14C17 |
ABC4D14E17 |
-86.5 |
4.65 |
-9.48 |
-1.15 |
0 |
|
|
60089 |
26675668 |
1 |
Cl2N3O3H15C20 |
A2B3C3D15E20 |
-52.92 |
3.56 |
-9.22 |
-1.02 |
0 |
|
|
60090 |
26675670 |
1 |
ClSN3O5H18C19 |
ABC3D5E18F19 |
-172.62 |
5.81 |
-9.52 |
-0.8 |
0 |
|
|
60091 |
26675672 |
1 |
BrSN2O3H19C21 |
ABC2D3E19F21 |
-38.35 |
2.33 |
-8.89 |
-0.92 |
0 |
|
|
60092 |
26675673 |
1 |
FN3O3C17H18 |
AB3C3D17E18 |
-123.13 |
4.53 |
-9.26 |
-0.93 |
0 |
|
|
60093 |
26675674 |
1 |
FN3O3C17H18 |
AB3C3D17E18 |
-123.82 |
4.25 |
-9.3 |
-0.98 |
0 |
|
|
60094 |
26675675 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-143.66 |
3.85 |
-9.56 |
-1.22 |
0 |
|
|
60095 |
26675677 |
1 |
N3O4C15H17 |
A3B4C15D17 |
-81.14 |
2.21 |
-9.41 |
-0.88 |
0 |
|
|
60096 |
26675680 |
1 |
N4O5H20C21 |
A4B5C20D21 |
-76.76 |
4.59 |
-8.57 |
-0.71 |
0 |
|
|
60097 |
26675681 |
1 |
SN4O4C22H24 |
AB4C4D22E24 |
-107.05 |
3.03 |
-9.37 |
-0.76 |
0 |
|
|
60098 |
26675682 |
1 |
SN4O4C22H24 |
AB4C4D22E24 |
-108.56 |
3.2 |
-9.39 |
-0.79 |
0 |
|
|
60099 |
26675683 |
1 |
BrO3N4H17C20 |
AB3C4D17E20 |
-1.79 |
5.86 |
-9.77 |
-1.03 |
0 |
|
|
60100 |
26675684 |
1 |
BrO3N4H17C20 |
AB3C4D17E20 |
-1.74 |
3.48 |
-9.75 |
-1.01 |
0 |
|
|
60101 |
26675685 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-95.35 |
4.17 |
-9.31 |
-0.77 |
0 |
|
|
60102 |
26675686 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-94.48 |
5.42 |
-9.36 |
-0.79 |
0 |
|
|
60103 |
26675687 |
1 |
N3O4C15H17 |
A3B4C15D17 |
-82.78 |
4.48 |
-9.36 |
-0.81 |
0 |
|
|
60104 |
26675688 |
1 |
N2O3H14C19 |
A2B3C14D19 |
0.03 |
4.43 |
-8.46 |
-0.85 |
0 |
|
|
60105 |
26675689 |
1 |
O2N4C21H22 |
A2B4C21D22 |
7.35 |
5.58 |
-8.91 |
-1.2 |
0 |
|
|
60106 |
26675690 |
1 |
FN3O3H16C20 |
AB3C3D16E20 |
-81.62 |
3.55 |
-9.28 |
-0.96 |
0 |
|
|
60107 |
26675691 |
1 |
FN3O3H16C20 |
AB3C3D16E20 |
-81.8 |
2.35 |
-9.25 |
-0.92 |
0 |
|
|
60108 |
26675693 |
1 |
N3O4H21C23 |
A3B4C21D23 |
-101.1 |
2.44 |
-9.5 |
-1.17 |
0 |
|
|
60109 |
26675694 |
1 |
N3O4H15C18 |
A3B4C15D18 |
-39.12 |
3.86 |
-9.32 |
-0.78 |
0 |
|
|
60110 |
26675695 |
1 |
N3O4H15C18 |
A3B4C15D18 |
-39.77 |
3.87 |
-9.41 |
-0.88 |
0 |
|
|
60111 |
26675696 |
1 |
O2N4H12C13 |
A2B4C12D13 |
70.06 |
6.96 |
-10.23 |
-1.26 |
0 |
|
|
60112 |
26675697 |
1 |
ClFNO3H13C18 |
ABCD3E13F18 |
-85.78 |
5.56 |
-9.38 |
-1.2 |
0 |
|
|
60113 |
26675698 |
1 |
FO2N7C17H20 |
AB2C7D17E20 |
-73.54 |
2.09 |
-9.95 |
-0.5 |
0 |
|
|
60114 |
26675699 |
1 |
FO2N7C17H20 |
AB2C7D17E20 |
-73.28 |
4.36 |
-9.82 |
-0.31 |
0 |
|
|
60115 |
26675700 |
1 |
FN3O4H20C21 |
AB3C4D20E21 |
-100.75 |
4.34 |
-9.37 |
-0.83 |
0 |
|
|
60116 |
26675702 |
1 |
FSN3O5C22H24 |
ABC3D5E22F24 |
-225.75 |
6.27 |
-9.51 |
-0.74 |
0 |
|
|
60117 |
26675704 |
1 |
ClSN2O3H17C21 |
ABC2D3E17F21 |
-13.72 |
5.21 |
-8.44 |
-0.97 |
0 |
|
|
60118 |
26675705 |
1 |
ClSO3N6C17H17 |
ABC3D6E17F17 |
-7.81 |
5.58 |
-9.08 |
-1.0 |
0 |
|
|
60119 |
26675706 |
1 |
ClSN2O5H17C21 |
ABC2D5E17F21 |
-50.5 |
4.52 |
-8.58 |
-1.05 |
0 |
|
|
60120 |
26675709 |
1 |
SN3O7C23H25 |
AB3C7D23E25 |
-149.03 |
7.78 |
-9.65 |
-1.25 |
0 |
|
|
60121 |
26675714 |
1 |
N4O5C18H20 |
A4B5C18D20 |
-111.31 |
7.38 |
-8.55 |
-0.7 |
0 |
|
|
60122 |
26675716 |
1 |
ClSN2O4H15C17 |
ABC2D4E15F17 |
-27.51 |
2.42 |
-9.23 |
-1.06 |
0 |
|
|
60123 |
26675720 |
1 |
SN2O6H20C22 |
AB2C6D20E22 |
-83.83 |
5.63 |
-8.34 |
-0.8 |
0 |
|
|
60124 |
26675721 |
1 |
Br2O2N3H13C17 |
A2B2C3D13E17 |
-19.23 |
2.56 |
-9.2 |
-1.26 |
0 |
|
|
60125 |
26675722 |
1 |
FBr2O2N3H10C16 |
AB2C2D3E10F16 |
-54.33 |
2.77 |
-9.28 |
-1.48 |
0 |
|
|
60126 |
26675723 |
1 |
BrO2N3F6H10C18 |
AB2C3D6E10F18 |
-335.12 |
5.63 |
-9.85 |
-1.64 |
0 |
|
|
60127 |
26675724 |
1 |
BrSN4O4H19C20 |
ABC4D4E19F20 |
-96.64 |
6.29 |
-9.46 |
-1.57 |
0 |
|
|
60128 |
26675729 |
1 |
Br2O2N3H13C17 |
A2B2C3D13E17 |
-23.01 |
0.53 |
-9.06 |
-1.34 |
0 |
|
|
60129 |
26675732 |
1 |
BrN3O4H16C18 |
AB3C4D16E18 |
-96.47 |
4.09 |
-8.99 |
-1.2 |
0 |
|
|
60130 |
26675733 |
1 |
BrO2N3H22C25 |
AB2C3D22E25 |
12.5 |
5.65 |
-9.36 |
-1.13 |
0 |
|
|
60131 |
26675741 |
1 |
BrN3O4C22H24 |
AB3C4D22E24 |
-112.66 |
1.14 |
-8.16 |
-1.11 |
0 |
|
|
60132 |
26675743 |
1 |
BrSN4O4H19C20 |
ABC4D4E19F20 |
-81.34 |
5.04 |
-9.6 |
-1.51 |
0 |
|
|
60133 |
26675744 |
1 |
BrO2N4C20H23 |
AB2C4D20E23 |
-28.69 |
6.63 |
-9.2 |
-0.94 |
0 |
|
|
60134 |
26675745 |
1 |
BrO2N4C20H23 |
AB2C4D20E23 |
-27.95 |
7.08 |
-9.22 |
-0.97 |
0 |
|
|
60135 |
26675750 |
1 |
SN2O2C17H18 |
AB2C2D17E18 |
-40.89 |
2.53 |
-8.98 |
-0.89 |
0 |
|
|
60136 |
26675753 |
1 |
N4O7H14C17 |
A4B7C14D17 |
-30.37 |
5.01 |
-9.32 |
-1.47 |
0 |
|
|
60137 |
26675754 |
1 |
SN3O7C21H23 |
AB3C7D21E23 |
-238.64 |
5.41 |
-8.68 |
-0.68 |
0 |
|
|
60138 |
26675756 |
1 |
FSN2O2H15C20 |
ABC2D2E15F20 |
-17.26 |
3.92 |
-9.28 |
-1.02 |
0 |
|
|
60139 |
26675758 |
1 |
ClSN2O4C17H17 |
ABC2D4E17F17 |
-54.55 |
4.18 |
-9.46 |
-1.03 |
0 |
|
|
60140 |
26675759 |
1 |
ClON2H11C15 |
ABC2D11E15 |
76.03 |
3.33 |
-9.37 |
-0.9 |
0 |
|
|
60141 |
26675762 |
1 |
FN2O3H15C18 |
AB2C3D15E18 |
-101.12 |
2.33 |
-9.22 |
-0.87 |
0 |
|
|
60142 |
26675766 |
1 |
NO3H15C17 |
AB3C15D17 |
-36.54 |
3.41 |
-8.62 |
-1.06 |
0 |
|
|
60143 |
26675767 |
1 |
FNO4H16C19 |
ABC4D16E19 |
-115.45 |
3.59 |
-8.77 |
-1.17 |
0 |
|
|
60144 |
26675768 |
1 |
NO5H15C17 |
AB5C15D17 |
-73.28 |
3.79 |
-8.71 |
-1.07 |
0 |
|
|
60145 |
26675771 |
1 |
BrSN2O5C19H19 |
ABC2D5E19F19 |
-120.08 |
3.52 |
-9.21 |
-1.06 |
0 |
|
|
60146 |
26675773 |
1 |
BrNO5H18C21 |
ABC5D18E21 |
-114.39 |
5.15 |
-9.25 |
-1.2 |
0 |
|
|
60147 |
26675774 |
1 |
BrN4O4H15C19 |
AB4C4D15E19 |
-23.15 |
7.26 |
-9.21 |
-1.27 |
0 |
|
|
60148 |
26675775 |
1 |
BrNSO6H16C17 |
ABCD6E16F17 |
-174.93 |
2.28 |
-9.05 |
-0.85 |
0 |
|
|
60149 |
26675776 |
1 |
N2O6H22C23 |
A2B6C22D23 |
-115.05 |
5.72 |
-8.61 |
-0.99 |
0 |
|
|
60150 |
26675777 |
1 |
N2O5H14C23 |
A2B5C14D23 |
-3.41 |
5.83 |
-9.67 |
-1.78 |
0 |