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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121162 |
50757628 |
1 |
SN2O3C23H24 |
AB2C3D23E24 |
-64.01 |
2.21 |
-9.44 |
-1.3 |
0 |
|
|
121163 |
50757668 |
1 |
SN2O3C23H24 |
AB2C3D23E24 |
-69.8 |
4.04 |
-9.35 |
-1.26 |
0 |
|
|
121164 |
50757669 |
1 |
SF2N2O3H20C22 |
AB2C2D3E20F22 |
-152.67 |
2.67 |
-9.61 |
-1.59 |
0 |
|
|
121165 |
50757718 |
1 |
N2S2O3C24H26 |
A2B2C3D24E26 |
-57.23 |
3.7 |
-8.97 |
-1.36 |
0 |
|
|
121166 |
50757817 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-169.69 |
3.68 |
-8.57 |
-1.08 |
0 |
|
|
121167 |
50757818 |
1 |
ClN2O5C20H25 |
AB2C5D20E25 |
-182.82 |
7.23 |
-8.49 |
-1.03 |
0 |
|
|
121168 |
50757819 |
1 |
O3N4C22H38 |
A3B4C22D38 |
-139.46 |
4.15 |
-8.39 |
-0.92 |
0 |
|
|
121169 |
50757820 |
1 |
FN2O4C18H19 |
AB2C4D18E19 |
-188.99 |
4.52 |
-9.44 |
-1.41 |
0 |
|
|
121170 |
50757954 |
1 |
ClOSN4C17H17 |
ABCD4E17F17 |
17.16 |
6.04 |
-8.75 |
-0.98 |
0 |
|
|
121171 |
50757955 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
-10.17 |
4.35 |
-8.1 |
-0.86 |
0 |
|
|
121172 |
50757956 |
1 |
OSN4C18H20 |
ABC4D18E20 |
22.76 |
4.06 |
-8.48 |
-1.0 |
0 |
|
|
121173 |
50757957 |
1 |
BrOSN4H15C16 |
ABCD4E15F16 |
36.65 |
7.57 |
-8.79 |
-1.05 |
0 |
|
|
121174 |
50757963 |
1 |
N3O3C27H37 |
A3B3C27D37 |
-121.02 |
6.06 |
-8.79 |
-0.21 |
0 |
|
|
121175 |
50757964 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-73.06 |
7.27 |
-8.8 |
-0.26 |
0 |
|
|
121176 |
50757965 |
1 |
N3O3C28H31 |
A3B3C28D31 |
-67.01 |
4.5 |
-8.96 |
-0.05 |
0 |
|
|
121177 |
50757966 |
1 |
N3O3C28H31 |
A3B3C28D31 |
-68.02 |
4.01 |
-8.84 |
-0.21 |
0 |
|
|
121178 |
50757981 |
1 |
O2N3C27H37 |
A2B3C27D37 |
-83.69 |
4.58 |
-9.01 |
-0.31 |
0 |
|
|
121179 |
50757982 |
1 |
ClO2N4C24H27 |
AB2C4D24E27 |
-32.67 |
4.86 |
-9.33 |
-0.94 |
0 |
|
|
121180 |
50757983 |
1 |
O3N4C25H30 |
A3B4C25D30 |
-63.65 |
5.66 |
-8.85 |
-0.78 |
0 |
|
|
121181 |
50758014 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-74.91 |
4.39 |
-8.69 |
0.11 |
0 |
|
|
121182 |
50758015 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-133.09 |
1.83 |
-9.12 |
-0.11 |
0 |
|
|
121183 |
50758016 |
1 |
FN2O2C19H19 |
AB2C2D19E19 |
-98.93 |
4.03 |
-8.85 |
-0.19 |
0 |
|
|
121184 |
50758017 |
1 |
FN2O2C19H19 |
AB2C2D19E19 |
-102.91 |
3.9 |
-8.84 |
-0.22 |
0 |
|
|
121185 |
50758018 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-98.86 |
3.32 |
-8.52 |
-0.1 |
0 |
|
|
121186 |
50758019 |
2 |
ON2C11H17 |
AB2C11D17 |
-87.29 |
3.63 |
-8.54 |
-0.13 |
0 |
|
|
121187 |
50758020 |
1 |
N3O4C24H27 |
A3B4C24D27 |
-104.41 |
4.77 |
-8.81 |
-0.14 |
0 |
|
|
121188 |
50758033 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-127.26 |
4.23 |
-8.6 |
-0.22 |
0 |
|
|
121189 |
50758102 |
1 |
N2O2C21H22 |
A2B2C21D22 |
-50.71 |
3.3 |
-8.48 |
-0.02 |
0 |
|
|
121190 |
50758150 |
2 |
NOC11H13 |
ABC11D13 |
-65.54 |
5.51 |
-9.04 |
-0.13 |
0 |
|
|
121191 |
50758183 |
1 |
O4N5C20H21 |
A4B5C20D21 |
-105.18 |
2.93 |
-9.0 |
-0.91 |
0 |
|
|
121192 |
50758297 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-126.02 |
6.04 |
-9.36 |
-0.87 |
0 |
|
|
121193 |
50758319 |
1 |
ClN4O4C22H25 |
AB4C4D22E25 |
-127.59 |
4.19 |
-9.68 |
-0.99 |
0 |
|
|
121194 |
50758327 |
1 |
N4O5C25H32 |
A4B5C25D32 |
-169.16 |
12.65 |
-8.8 |
-0.55 |
0 |
|
|
121195 |
50758330 |
2 |
N2O2C12H15 |
A2B2C12D15 |
-130.07 |
7.26 |
-9.45 |
-0.8 |
0 |
|
|
121196 |
50758331 |
1 |
ClSO2N3H18C22 |
ABC2D3E18F22 |
-6.45 |
7.01 |
-8.88 |
-0.91 |
0 |
|
|
121197 |
50758332 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-126.21 |
5.92 |
-9.41 |
-0.8 |
0 |
|
|
121198 |
50758333 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-122.77 |
6.01 |
-9.86 |
-0.73 |
0 |
|
|
121199 |
50758334 |
1 |
N4O5C23H28 |
A4B5C23D28 |
-161.45 |
4.94 |
-9.26 |
-0.8 |
0 |
|
|
121200 |
50758399 |
1 |
N5O5H11C17 |
A5B5C11D17 |
-52.06 |
7.74 |
-9.31 |
-1.29 |
0 |
|
|
121201 |
50758637 |
1 |
F2O3N5H23C24 |
A2B3C5D23E24 |
-127.04 |
5.29 |
-9.68 |
-0.77 |
0 |
|
|
121202 |
50758644 |
1 |
O3N5C22H35 |
A3B5C22D35 |
-126.94 |
6.11 |
-9.59 |
-0.56 |
0 |
|
|
121203 |
50758649 |
1 |
FO3N5C23H28 |
AB3C5D23E28 |
-125.15 |
6.53 |
-9.61 |
-0.65 |
0 |
|
|
121204 |
50758662 |
1 |
ClO3N5C23H28 |
AB3C5D23E28 |
-91.64 |
7.14 |
-9.02 |
-0.79 |
0 |
|
|
121205 |
50758802 |
1 |
ClN4O4C25H31 |
AB4C4D25E31 |
-140.8 |
3.38 |
-9.64 |
-0.88 |
0 |
|
|
121206 |
50758821 |
1 |
FO3N5C25H32 |
AB3C5D25E32 |
-140.94 |
9.24 |
-8.7 |
-0.75 |
0 |
|
|
121207 |
50758878 |
1 |
N4O4C25H32 |
A4B4C25D32 |
-136.87 |
5.85 |
-9.12 |
-0.69 |
0 |
|
|
121208 |
50758879 |
1 |
N4O4C25H32 |
A4B4C25D32 |
-139.25 |
2.96 |
-9.43 |
-0.71 |
0 |
|
|
121209 |
50758880 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-120.42 |
6.84 |
-9.74 |
-0.58 |
0 |
|
|
121210 |
50758881 |
1 |
ClN4O4C23H27 |
AB4C4D23E27 |
-129.67 |
5.95 |
-9.82 |
-0.65 |
0 |
|
|
121211 |
50758882 |
1 |
N4O4C25H26 |
A4B4C25D26 |
-79.14 |
4.55 |
-9.49 |
-0.73 |
0 |
|
|
121212 |
50758883 |
1 |
ClN4O4C25H25 |
AB4C4D25E25 |
-88.52 |
6.98 |
-9.76 |
-0.68 |
0 |
|
|
121213 |
50758884 |
1 |
N4O5C27H30 |
A4B5C27D30 |
-127.98 |
7.32 |
-9.18 |
-0.62 |
0 |
|
|
121214 |
50758959 |
1 |
O3N5C27H37 |
A3B5C27D37 |
-103.87 |
6.84 |
-9.18 |
-0.61 |
0 |
|
|
121215 |
50758960 |
1 |
O4N5C26H35 |
A4B5C26D35 |
-127.17 |
6.45 |
-9.02 |
-0.69 |
0 |
|
|
121216 |
50758961 |
1 |
O3N6C28H44 |
A3B6C28D44 |
-126.17 |
6.39 |
-8.64 |
-0.53 |
0 |
|
|
121217 |
50758962 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-121.89 |
5.96 |
-9.17 |
-0.73 |
0 |
|
|
121218 |
50758963 |
1 |
N4O5C23H28 |
A4B5C23D28 |
-150.12 |
7.41 |
-9.25 |
-0.57 |
0 |
|
|
121219 |
50758964 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-120.06 |
5.39 |
-9.46 |
-0.67 |
0 |
|
|
121220 |
50758965 |
1 |
N4O6C25H32 |
A4B6C25D32 |
-200.02 |
8.69 |
-8.95 |
-0.49 |
0 |
|
|
121221 |
50758966 |
2 |
N2O3C13H17 |
A2B3C13D17 |
-194.59 |
7.64 |
-8.7 |
-0.63 |
0 |
|
|
121222 |
50759101 |
1 |
O2N3H25C26 |
A2B3C25D26 |
0.21 |
1.03 |
-8.45 |
-0.08 |
0 |
|
|
121223 |
50759200 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-31.51 |
4.52 |
-9.7 |
-1.43 |
0 |
|
|
121224 |
50759262 |
1 |
ClN4O4H19C22 |
AB4C4D19E22 |
-45.3 |
5.47 |
-8.99 |
-1.35 |
0 |
|
|
121225 |
50759263 |
1 |
ClN4O4H21C23 |
AB4C4D21E23 |
-53.9 |
6.84 |
-8.96 |
-1.3 |
0 |
|
|
121226 |
50759398 |
1 |
ClN2O3H19C24 |
AB2C3D19E24 |
-31.83 |
6.49 |
-8.89 |
-0.77 |
0 |
|
|
121227 |
50759406 |
1 |
Cl2N2O2H16C23 |
A2B2C2D16E23 |
-2.52 |
6.6 |
-9.44 |
-1.11 |
0 |
|
|
121228 |
50759407 |
1 |
ClFN2O2H16C23 |
ABC2D2E16F23 |
-38.36 |
6.8 |
-9.46 |
-1.11 |
0 |
|
|
121229 |
50759408 |
1 |
FN2O3H19C24 |
AB2C3D19E24 |
-70.26 |
7.16 |
-8.83 |
-0.81 |
0 |
|
|
121230 |
50759527 |
2 |
NO3C14H18 |
AB3C14D18 |
-209.92 |
6.82 |
-8.08 |
-0.59 |
0 |
|
|
121231 |
50759528 |
1 |
BrN2O4C23H25 |
AB2C4D23E25 |
-118.31 |
2.57 |
-8.88 |
-0.9 |
0 |
|
|
121232 |
50759529 |
1 |
BrN2O3C24H27 |
AB2C3D24E27 |
-85.92 |
1.89 |
-9.53 |
-0.71 |
0 |
|
|
121233 |
50759591 |
1 |
SO2F3N3H14C18 |
AB2C3D3E14F18 |
-126.55 |
1.38 |
-9.49 |
-1.05 |
0 |
|
|
121234 |
50759592 |
1 |
ClSO2N3H14C17 |
ABC2D3E14F17 |
24.58 |
1.12 |
-9.09 |
-1.04 |
0 |
|
|
121235 |
50759638 |
1 |
ClFSO2N3H15C18 |
ABCD2E3F15G18 |
-32.01 |
6.56 |
-9.16 |
-0.95 |
0 |
|
|
121236 |
50759639 |
1 |
ClFSN3O3H15C18 |
ABCD3E3F15G18 |
-61.79 |
5.91 |
-8.67 |
-0.82 |
0 |
|
|
121237 |
50759640 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
-15.03 |
5.83 |
-8.39 |
-1.01 |
0 |
|
|
121238 |
50759641 |
1 |
SO2N3C22H25 |
AB2C3D22E25 |
-24.6 |
8.55 |
-8.77 |
-1.06 |
0 |
|
|
121239 |
50759659 |
1 |
SO2N3C24H27 |
AB2C3D24E27 |
-28.38 |
6.36 |
-8.43 |
-0.98 |
0 |
|
|
121240 |
50759780 |
1 |
ClFSN3O3H15C18 |
ABCD3E3F15G18 |
-62.9 |
6.26 |
-8.67 |
-0.97 |
0 |
|
|
121241 |
50759816 |
1 |
ClSO2N3C16H18 |
ABC2D3E16F18 |
-15.88 |
7.07 |
-9.15 |
-0.79 |
0 |
|
|
121242 |
50759958 |
1 |
FO2N4H17C19 |
AB2C4D17E19 |
7.08 |
2.56 |
-8.57 |
-1.31 |
0 |
|
|
121243 |
50759959 |
1 |
SN4O4C24H32 |
AB4C4D24E32 |
-96.73 |
5.04 |
-8.71 |
-1.28 |
0 |
|
|
121244 |
50760086 |
1 |
SN3O4C28H33 |
AB3C4D28E33 |
-82.87 |
6.73 |
-9.0 |
-1.32 |
0 |
|
|
121245 |
50760147 |
1 |
SN3O4C23H29 |
AB3C4D23E29 |
-97.97 |
5.49 |
-9.23 |
-1.32 |
0 |
|
|
121246 |
50760152 |
1 |
SN2O5C21H22 |
AB2C5D21E22 |
-162.17 |
5.52 |
-9.03 |
-1.04 |
0 |
|
|
121247 |
50760153 |
1 |
SN2O3C20H22 |
AB2C3D20E22 |
-81.23 |
4.03 |
-8.78 |
-0.95 |
0 |
|
|
121248 |
50760175 |
1 |
SN2O3C20H22 |
AB2C3D20E22 |
-81.98 |
4.78 |
-8.95 |
-0.92 |
0 |
|
|
121249 |
50760176 |
1 |
FSN2O3H17C18 |
ABC2D3E17F18 |
-115.98 |
3.4 |
-9.15 |
-1.03 |
0 |
|
|
121250 |
50760244 |
1 |
SN3O4C29H35 |
AB3C4D29E35 |
-88.22 |
5.72 |
-9.15 |
-0.88 |
0 |
|
|
121251 |
50760270 |
1 |
SN4O4C26H30 |
AB4C4D26E30 |
-67.77 |
5.01 |
-9.21 |
-1.21 |
0 |
|
|
121252 |
50760271 |
1 |
SN3O4C26H35 |
AB3C4D26E35 |
-116.33 |
5.04 |
-9.12 |
-1.14 |
0 |
|
|
121253 |
50760272 |
1 |
SN3O4C26H35 |
AB3C4D26E35 |
-128.16 |
7.27 |
-9.27 |
-1.01 |
0 |
|
|
121254 |
50760273 |
1 |
SN4O5C29H32 |
AB4C5D29E32 |
-119.65 |
3.88 |
-8.81 |
-1.15 |
0 |
|
|
121255 |
50760391 |
1 |
SN3O4C30H35 |
AB3C4D30E35 |
-90.6 |
7.41 |
-8.65 |
-1.1 |
0 |
|
|
121256 |
50760509 |
1 |
ClO2S2N3H14C19 |
AB2C2D3E14F19 |
-14.37 |
3.28 |
-8.67 |
-1.92 |
0 |
|
|
121257 |
50760522 |
2 |
ON2C11H13 |
AB2C11D13 |
-29.95 |
2.12 |
-9.0 |
-0.61 |
0 |
|
|
121258 |
50760551 |
2 |
ON2C10H11 |
AB2C10D11 |
-11.37 |
4.2 |
-9.12 |
-0.73 |
0 |
|
|
121259 |
50760651 |
1 |
ClSO4N6C23H23 |
ABC4D6E23F23 |
-15.65 |
7.67 |
-8.57 |
-0.61 |
0 |
|
|
121260 |
50760667 |
1 |
ClSO2N6H19C21 |
ABC2D6E19F21 |
61.34 |
3.46 |
-8.78 |
-0.82 |
0 |
|
|
121261 |
50760960 |
1 |
SO2N6C25H28 |
AB2C6D25E28 |
44.38 |
5.62 |
-8.5 |
-0.37 |
0 |