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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
285200 |
104098615 |
1 |
SN2O3C14H22 |
AB2C3D14E22 |
-50.96 |
5.59 |
-9.64 |
-1.6 |
0 |
|
|
285201 |
104098623 |
1 |
ON6C10H12 |
AB6C10D12 |
48.06 |
5.92 |
-9.39 |
-0.79 |
0 |
|
|
285202 |
104098624 |
1 |
FSN2O2H11C12 |
ABC2D2E11F12 |
-6.57 |
6.18 |
-8.78 |
-1.72 |
0 |
|
|
285203 |
104098625 |
1 |
SO2F3N4C11H11 |
AB2C3D4E11F11 |
-154.15 |
1.8 |
-9.43 |
-0.94 |
0 |
|
|
285204 |
104098642 |
1 |
O2N7C8H11 |
A2B7C8D11 |
94.79 |
6.75 |
-9.56 |
-0.96 |
0 |
|
|
285205 |
104098644 |
1 |
O2N5C12H15 |
A2B5C12D15 |
-3.38 |
3.69 |
-9.39 |
-0.84 |
0 |
|
|
285206 |
104098658 |
1 |
ON7C10H13 |
AB7C10D13 |
69.84 |
1.74 |
-9.52 |
-1.06 |
0 |
|
|
285207 |
104098662 |
1 |
ClSN2O2H11C12 |
ABC2D2E11F12 |
29.85 |
6.03 |
-8.74 |
-1.74 |
0 |
|
|
285208 |
104098667 |
1 |
ClSN2O4C13H13 |
ABC2D4E13F13 |
-34.55 |
5.26 |
-8.26 |
-1.76 |
0 |
|
|
285209 |
104098670 |
1 |
SN2O2C11H20 |
AB2C2D11E20 |
-85.68 |
3.29 |
-9.55 |
-0.55 |
0 |
|
|
285210 |
104098671 |
1 |
FNO2C12H18 |
ABC2D12E18 |
-134.86 |
4.0 |
-9.48 |
-0.17 |
0 |
|
|
285211 |
104098672 |
1 |
BrNSO2C10H16 |
ABCD2E10F16 |
-76.08 |
3.63 |
-9.1 |
-0.42 |
0 |
|
|
285212 |
104098673 |
1 |
NO3C10H17 |
AB3C10D17 |
-119.93 |
2.01 |
-9.26 |
0.34 |
0 |
|
|
285213 |
104098674 |
1 |
NSO3C10H17 |
ABC3D10E17 |
-111.21 |
3.65 |
-8.75 |
-0.04 |
0 |
|
|
285214 |
104098681 |
1 |
NBr2O2C11H15 |
AB2C2D11E15 |
-70.98 |
5.11 |
-9.44 |
-0.57 |
0 |
|
|
285215 |
104098683 |
1 |
NO2C13H29 |
AB2C13D29 |
-143.76 |
2.67 |
-9.36 |
2.31 |
0 |
|
|
285216 |
104098684 |
1 |
BrNSO3C10H16 |
ABCD3E10F16 |
-105.96 |
3.66 |
-9.06 |
-0.88 |
0 |
|
|
285217 |
104098685 |
1 |
NO4C11H19 |
AB4C11D19 |
-151.47 |
2.94 |
-9.19 |
0.27 |
0 |
|
|
285218 |
104098689 |
1 |
ClO2N4C14H15 |
AB2C4D14E15 |
-26.42 |
5.97 |
-8.2 |
-0.34 |
0 |
|
|
285219 |
104098695 |
1 |
ClO2N4C14H15 |
AB2C4D14E15 |
-25.34 |
3.79 |
-8.52 |
-0.6 |
0 |
|
|
285220 |
104098697 |
1 |
ClN3O4C15H20 |
AB3C4D15E20 |
-177.07 |
5.09 |
-8.35 |
-0.46 |
0 |
|
|
285221 |
104098699 |
1 |
BrNO2C13H18 |
ABC2D13E18 |
-92.31 |
1.74 |
-8.98 |
-0.18 |
0 |
|
|
285222 |
104098725 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
30.81 |
7.29 |
-9.41 |
-1.51 |
0 |
|
|
285223 |
104098728 |
1 |
ON4C11H20 |
AB4C11D20 |
-26.85 |
3.28 |
-8.75 |
0.97 |
0 |
|
|
285224 |
104098729 |
1 |
SN2O4C10H16 |
AB2C4D10E16 |
-71.16 |
5.36 |
-9.56 |
-1.66 |
0 |
|
|
285225 |
104098730 |
1 |
SN2O3C12H18 |
AB2C3D12E18 |
-38.77 |
7.72 |
-9.45 |
-1.55 |
0 |
|
|
285226 |
104098731 |
1 |
SN2O4C10H16 |
AB2C4D10E16 |
-64.17 |
6.43 |
-9.64 |
-1.58 |
0 |
|
|
285227 |
104098736 |
1 |
ClFO3N4H6C11 |
ABC3D4E6F11 |
-15.37 |
4.43 |
-10.06 |
-2.27 |
0 |
|
|
285228 |
104098737 |
3 |
FNOH2C4 |
ABCD2E4 |
-112.35 |
4.42 |
-10.02 |
-2.3 |
0 |
|
|
285229 |
104098738 |
1 |
ON2F5H5C8 |
AB2C5D5E8 |
-247.18 |
0.98 |
-10.25 |
-1.16 |
0 |
|
|
285230 |
104098740 |
1 |
BrFN3O3H7C12 |
ABC3D3E7F12 |
-24.98 |
5.89 |
-9.78 |
-2.14 |
0 |
|
|
285231 |
104098741 |
1 |
F2N3O3H7C12 |
A2B3C3D7E12 |
-69.59 |
5.98 |
-9.99 |
-2.01 |
0 |
|
|
285232 |
104098744 |
1 |
N6C9H14 |
A6B9C14 |
92.53 |
5.56 |
-9.39 |
0.03 |
0 |
|
|
285233 |
104098745 |
1 |
N6C13H16 |
A6B13C16 |
120.48 |
6.46 |
-8.71 |
-0.29 |
0 |
|
|
285234 |
104098747 |
1 |
O2N5C15H27 |
A2B5C15D27 |
-67.37 |
3.62 |
-9.53 |
0.11 |
0 |
|
|
285235 |
104098750 |
1 |
N5C9H13 |
A5B9C13 |
85.58 |
6.42 |
-9.01 |
0.24 |
0 |
|
|
285236 |
104098757 |
2 |
N2C7H13 |
A2B7C13 |
20.92 |
4.79 |
-9.4 |
0.22 |
0 |
|
|
285237 |
104098758 |
1 |
BrN4C12H15 |
AB4C12D15 |
73.18 |
7.01 |
-9.23 |
-0.38 |
0 |
|
|
285238 |
104098759 |
4 |
FNC3H3 |
ABC3D3 |
-123.63 |
1.15 |
-9.97 |
-1.01 |
0 |
|
|
285239 |
104098761 |
2 |
N3C7H8 |
A3B7C8 |
129.99 |
4.9 |
-9.16 |
-0.66 |
0 |
|
|
285240 |
104098764 |
1 |
FN4C12H15 |
AB4C12D15 |
27.55 |
4.44 |
-9.47 |
-0.27 |
0 |
|
|
285241 |
104098776 |
1 |
ON4C14H20 |
AB4C14D20 |
31.12 |
4.65 |
-8.92 |
0.13 |
0 |
|
|
285242 |
104098779 |
2 |
N3C6H10 |
A3B6C10 |
79.96 |
6.94 |
-9.43 |
0.21 |
0 |
|
|
285243 |
104098786 |
1 |
SN5C10H15 |
AB5C10D15 |
83.22 |
5.28 |
-9.44 |
-0.52 |
0 |
|
|
285244 |
104098791 |
1 |
Cl2N4C11H12 |
A2B4C11D12 |
66.22 |
5.52 |
-9.6 |
-0.66 |
0 |
|
|
285245 |
104098794 |
1 |
BrO2N4C13H17 |
AB2C4D13E17 |
13.04 |
3.22 |
-8.65 |
-0.32 |
0 |
|
|
285246 |
104098797 |
1 |
N4C15H16 |
A4B15C16 |
100.42 |
4.28 |
-8.99 |
-0.55 |
0 |
|
|
285247 |
104098804 |
4 |
NC2H4 |
AB2C4 |
41.69 |
4.56 |
-9.43 |
0.22 |
0 |
|
|
285248 |
104098805 |
1 |
N4C11H20 |
A4B11C20 |
36.14 |
4.48 |
-9.4 |
0.23 |
0 |
|
|
285249 |
104098808 |
1 |
BrSN4C9H11 |
ABC4D9E11 |
92.93 |
2.81 |
-9.41 |
-0.74 |
0 |
|
|
285250 |
104098809 |
1 |
N6C9H14 |
A6B9C14 |
89.64 |
1.45 |
-9.28 |
0.1 |
0 |
|
|
285251 |
104098810 |
1 |
O3N5C12H15 |
A3B5C12D15 |
41.68 |
6.74 |
-9.64 |
-1.25 |
0 |
|
|
285252 |
104098813 |
1 |
N4C11H20 |
A4B11C20 |
32.67 |
4.83 |
-9.42 |
0.21 |
0 |
|
|
285253 |
104098816 |
1 |
OSN5C10H13 |
ABC5D10E13 |
48.71 |
3.71 |
-9.69 |
-0.89 |
0 |
|
|
285254 |
104098826 |
1 |
N4C13H24 |
A4B13C24 |
19.5 |
4.75 |
-9.32 |
0.24 |
0 |
|
|
285255 |
104098827 |
1 |
N5C16H23 |
A5B16C23 |
79.19 |
4.54 |
-8.96 |
0.18 |
0 |
|
|
285256 |
104098843 |
1 |
N5C15H23 |
A5B15C23 |
69.48 |
6.61 |
-8.15 |
0.26 |
0 |
|
|
285257 |
104098845 |
1 |
OF2N4C12H14 |
AB2C4D12E14 |
-60.63 |
5.98 |
-9.4 |
-0.38 |
0 |
|
|
285258 |
104098852 |
1 |
O3N4C13H16 |
A3B4C13D16 |
-15.39 |
4.43 |
-8.64 |
-0.1 |
0 |
|
|
285259 |
104098861 |
1 |
SN5C9H13 |
AB5C9D13 |
88.24 |
4.9 |
-9.29 |
-0.56 |
0 |
|
|
285260 |
104098863 |
1 |
N5C15H21 |
A5B15C21 |
82.41 |
5.16 |
-8.94 |
0.16 |
0 |
|
|
285261 |
104098864 |
2 |
N2C5H9 |
A2B5C9 |
42.54 |
4.49 |
-9.45 |
0.21 |
0 |
|
|
285262 |
104098872 |
2 |
N3C6H8 |
A3B6C8 |
106.36 |
6.4 |
-9.1 |
-0.02 |
0 |
|
|
285263 |
104098875 |
1 |
N6C9H14 |
A6B9C14 |
102.13 |
6.59 |
-9.51 |
0.19 |
0 |
|
|
285264 |
104098881 |
2 |
ON2C7H9 |
AB2C7D9 |
7.95 |
6.76 |
-8.97 |
-0.07 |
0 |
|
|
285265 |
104098883 |
1 |
F2N3O3H7C12 |
A2B3C3D7E12 |
-68.44 |
6.88 |
-9.86 |
-2.02 |
0 |
|
|
285266 |
104098884 |
1 |
ClON4C11H13 |
ABC4D11E13 |
30.39 |
4.32 |
-9.25 |
-0.47 |
0 |
|
|
285267 |
104098910 |
1 |
Cl2N4C11H12 |
A2B4C11D12 |
68.85 |
4.98 |
-9.7 |
-0.6 |
0 |
|
|
285268 |
104098911 |
1 |
SN4C10H14 |
AB4C10D14 |
78.03 |
5.23 |
-9.22 |
-0.18 |
0 |
|
|
285269 |
104098912 |
1 |
ClON4C9H11 |
ABC4D9E11 |
48.78 |
4.06 |
-9.42 |
-0.11 |
0 |
|
|
285270 |
104098914 |
1 |
ON5C12H15 |
AB5C12D15 |
41.81 |
3.51 |
-9.85 |
-0.52 |
0 |
|
|
285271 |
104098915 |
1 |
BrO2N4C13H15 |
AB2C4D13E15 |
15.02 |
4.0 |
-8.97 |
-0.39 |
0 |
|
|
285272 |
104098916 |
1 |
N5C13H15 |
A5B13C15 |
100.19 |
4.13 |
-8.56 |
-0.12 |
0 |
|
|
285273 |
104098917 |
1 |
SN5C8H11 |
AB5C8D11 |
99.43 |
4.98 |
-9.62 |
-0.75 |
0 |
|
|
285274 |
104098918 |
3 |
N2C3H4 |
A2B3C4 |
106.57 |
2.42 |
-9.96 |
-0.84 |
0 |
|
|
285275 |
104098921 |
1 |
FN4C12H15 |
AB4C12D15 |
27.45 |
3.33 |
-9.55 |
-0.15 |
0 |
|
|
285276 |
104098922 |
1 |
F2N4C11H12 |
A2B4C11D12 |
-6.44 |
5.7 |
-9.84 |
-0.52 |
0 |
|
|
285277 |
104098923 |
1 |
ClN6C12H13 |
AB6C12D13 |
109.8 |
5.69 |
-9.37 |
-1.06 |
0 |
|
|
285278 |
104098924 |
1 |
BrON4C9H11 |
ABC4D9E11 |
57.08 |
3.74 |
-9.59 |
-0.19 |
0 |
|
|
285279 |
104098926 |
1 |
N7C8H13 |
A7B8C13 |
118.86 |
7.46 |
-9.68 |
0.06 |
0 |
|
|
285280 |
104098927 |
2 |
N2C6H11 |
A2B6C11 |
24.72 |
4.97 |
-9.33 |
0.24 |
0 |
|
|
285281 |
104098929 |
1 |
N4C17H18 |
A4B17C18 |
107.74 |
4.17 |
-9.09 |
-0.18 |
0 |
|
|
285282 |
104098930 |
4 |
NC3H4 |
AB3C4 |
74.7 |
4.61 |
-9.36 |
0.19 |
0 |
|
|
285283 |
104098933 |
2 |
N2C5H10 |
A2B5C10 |
33.68 |
4.56 |
-9.42 |
0.22 |
0 |
|
|
285284 |
104098934 |
1 |
FON4C15H15 |
ABC4D15E15 |
28.35 |
4.1 |
-8.95 |
-0.72 |
0 |
|
|
285285 |
104098935 |
2 |
ON2C7H8 |
AB2C7D8 |
31.48 |
3.11 |
-8.69 |
-0.38 |
0 |
|
|
285286 |
104098936 |
1 |
FN3O3H8C12 |
AB3C3D8E12 |
-91.49 |
3.47 |
-10.04 |
-2.07 |
0 |
|
|
285287 |
104098950 |
1 |
F3N4C11H11 |
A3B4C11D11 |
-52.81 |
3.04 |
-9.91 |
-0.86 |
0 |
|
|
285288 |
104098951 |
1 |
SN4C13H20 |
AB4C13D20 |
62.25 |
5.23 |
-9.14 |
-0.16 |
0 |
|
|
285289 |
104098952 |
4 |
FNC3H3 |
ABC3D3 |
-122.51 |
5.59 |
-10.0 |
-1.02 |
0 |
|
|
285290 |
104098953 |
1 |
N5C14H15 |
A5B14C15 |
111.99 |
4.77 |
-9.29 |
-0.91 |
0 |
|
|
285291 |
104098954 |
1 |
ON4C14H18 |
AB4C14D18 |
37.76 |
5.04 |
-8.86 |
0.13 |
0 |
|
|
285292 |
104098958 |
1 |
ON4C10H18 |
AB4C10D18 |
-1.99 |
3.77 |
-9.57 |
0.14 |
0 |
|
|
285293 |
104098968 |
1 |
Cl3N4C11H11 |
A3B4C11D11 |
60.69 |
4.26 |
-9.69 |
-0.91 |
0 |
|
|
285294 |
104098972 |
1 |
FSN4C15H15 |
ABC4D15E15 |
65.81 |
3.13 |
-9.18 |
-0.7 |
0 |
|
|
285295 |
104098973 |
2 |
N3C6H7 |
A3B6C7 |
117.59 |
7.23 |
-9.13 |
-0.72 |
0 |
|
|
285296 |
104098975 |
1 |
ON4C15H16 |
AB4C15D16 |
57.45 |
5.96 |
-8.76 |
-0.69 |
0 |
|
|
285297 |
104098976 |
2 |
ON2C6H8 |
AB2C6D8 |
4.71 |
3.9 |
-8.52 |
-0.03 |
0 |
|
|
285298 |
104098977 |
1 |
O3N4C12H14 |
A3B4C12D14 |
-23.68 |
5.82 |
-8.74 |
-0.45 |
0 |
|
|
285299 |
104098980 |
1 |
ClON4C11H13 |
ABC4D11E13 |
31.07 |
6.72 |
-9.43 |
-0.47 |
0 |