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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
19131 |
555159 |
1 |
ClON2H13C17 |
ABC2D13E17 |
50.66 |
4.17 |
-8.61 |
-1.23 |
0 |
|
|
19132 |
555175 |
2 |
OC8H12 |
AB8C12 |
-26.64 |
0.54 |
-9.86 |
1.36 |
0 |
|
|
19133 |
555225 |
1 |
NH21C22 |
AB21C22 |
76.03 |
2.43 |
-8.81 |
-0.39 |
0 |
|
|
19134 |
555241 |
1 |
ClSN4H15C21 |
ABC4D15E21 |
139.79 |
1.46 |
-9.0 |
-0.72 |
0 |
|
|
19135 |
555278 |
1 |
OSiF5C9H9 |
ABC5D9E9 |
-293.39 |
3.12 |
-9.81 |
-1.02 |
0 |
|
|
19136 |
555295 |
1 |
N2O4C23H26 |
A2B4C23D26 |
-56.71 |
5.97 |
-8.96 |
-0.38 |
0 |
|
|
19137 |
555296 |
1 |
N2O3C16H16 |
A2B3C16D16 |
-55.06 |
6.93 |
-8.93 |
-0.69 |
0 |
|
|
19138 |
555311 |
1 |
N2O5H34C35 |
A2B5C34D35 |
-90.33 |
1.39 |
-8.7 |
-0.39 |
0 |
|
|
19139 |
555328 |
6 |
C2H3 |
A2B3 |
33.7 |
0.23 |
-8.8 |
1.13 |
0 |
|
|
19140 |
555329 |
1 |
N4O4H8C9 |
A4B4C8D9 |
59.65 |
7.01 |
-9.8 |
-1.51 |
0 |
|
|
19141 |
555406 |
1 |
N2O2H18C23 |
A2B2C18D23 |
48.7 |
3.22 |
-8.49 |
-0.47 |
0 |
|
|
19142 |
555422 |
2 |
NC5H6 |
AB5C6 |
77.83 |
1.9 |
-8.7 |
-0.01 |
0 |
|
|
19143 |
555434 |
2 |
NO2H10C12 |
AB2C10D12 |
-45.16 |
3.99 |
-9.12 |
-0.9 |
0 |
|
|
19144 |
555454 |
1 |
O3N5H17C19 |
A3B5C17D19 |
-8.46 |
1.0 |
-8.96 |
-0.92 |
0 |
|
|
19145 |
555456 |
1 |
O2N3C11H11 |
A2B3C11D11 |
66.0 |
7.48 |
-8.7 |
-1.59 |
0 |
|
|
19146 |
555470 |
1 |
N2O4H12C19 |
A2B4C12D19 |
-62.54 |
3.96 |
-8.95 |
-1.6 |
0 |
|
|
19147 |
555471 |
1 |
N2O3H14C21 |
A2B3C14D21 |
45.58 |
2.44 |
-8.93 |
-1.63 |
0 |
|
|
19148 |
555479 |
1 |
N3O3H13C14 |
A3B3C13D14 |
29.12 |
7.37 |
-9.06 |
-1.14 |
0 |
|
|
19149 |
555480 |
2 |
NOC7H7 |
ABC7D7 |
-10.65 |
2.79 |
-8.37 |
-0.31 |
0 |
|
|
19150 |
555557 |
1 |
ON5H17C22 |
AB5C17D22 |
119.73 |
10.5 |
-8.68 |
-1.05 |
0 |
|
|
19151 |
555635 |
1 |
N3O4H11C15 |
A3B4C11D15 |
6.84 |
5.73 |
-9.36 |
-1.25 |
0 |
|
|
19152 |
555640 |
1 |
O2N4H10C13 |
A2B4C10D13 |
37.54 |
4.62 |
-9.68 |
-1.77 |
0 |
|
|
19153 |
555646 |
1 |
SN3H15C17 |
AB3C15D17 |
112.66 |
3.17 |
-8.58 |
-0.67 |
0 |
|
|
19154 |
555648 |
1 |
N2O3H12C14 |
A2B3C12D14 |
-40.64 |
8.96 |
-9.5 |
-1.3 |
0 |
|
|
19155 |
555697 |
1 |
ON3H13C17 |
AB3C13D17 |
108.62 |
3.37 |
-9.07 |
-0.56 |
0 |
|
|
19156 |
555722 |
1 |
ClNO3H6C7 |
ABC3D6E7 |
-37.91 |
4.65 |
-10.49 |
-1.73 |
0 |
|
|
19157 |
555755 |
1 |
NS2H15C17 |
AB2C15D17 |
81.32 |
1.42 |
-8.65 |
-1.16 |
0 |
|
|
19158 |
555760 |
1 |
FSN2O3C19H21 |
ABC2D3E19F21 |
-127.11 |
5.06 |
-9.26 |
-0.83 |
0 |
|
|
19159 |
555811 |
2 |
O2H6C7 |
A2B6C7 |
-100.21 |
1.79 |
-8.96 |
-0.44 |
0 |
|
|
19160 |
555833 |
1 |
O3N4H8C12 |
A3B4C8D12 |
107.6 |
6.58 |
-9.43 |
-2.0 |
0 |
|
|
19161 |
555878 |
2 |
NOH7C9 |
ABC7D9 |
17.18 |
2.27 |
-9.29 |
-0.78 |
0 |
|
|
19162 |
555887 |
1 |
NSO3H11C16 |
ABC3D11E16 |
-5.08 |
3.92 |
-10.16 |
-1.43 |
0 |
|
|
19163 |
555892 |
1 |
N2O3H16C21 |
A2B3C16D21 |
-2.31 |
6.32 |
-9.13 |
-0.99 |
0 |
|
|
19164 |
556012 |
1 |
BrSN4H13C14 |
ABC4D13E14 |
106.45 |
5.18 |
-9.05 |
-0.97 |
0 |
|
|
19165 |
556017 |
1 |
SO2N3H15C16 |
AB2C3D15E16 |
20.34 |
3.81 |
-8.28 |
-0.76 |
0 |
|
|
19166 |
556018 |
1 |
SO3H6C8 |
AB3C6D8 |
-53.39 |
4.71 |
-9.56 |
-1.0 |
0 |
|
|
19167 |
556023 |
2 |
OH6C7 |
AB6C7 |
-23.24 |
4.89 |
-9.67 |
-0.41 |
0 |
|
|
19168 |
556183 |
2 |
ClC3H4 |
AB3C4 |
-2.89 |
1.29 |
-9.79 |
0.1 |
0 |
|
|
19169 |
556381 |
1 |
OC9H12 |
AB9C12 |
-17.71 |
1.79 |
-9.77 |
0.96 |
0 |
|
|
19170 |
556405 |
1 |
PO5C12H21 |
AB5C12D21 |
-266.27 |
1.46 |
-9.04 |
0.08 |
0 |
|
|
19171 |
556526 |
1 |
ClSiC6H13 |
ABC6D13 |
-36.89 |
2.04 |
-9.21 |
0.83 |
0 |
|
|
19172 |
556528 |
1 |
OC13H18 |
AB13C18 |
-24.23 |
2.73 |
-9.64 |
0.6 |
0 |
|
|
19173 |
556534 |
1 |
BrC8H11 |
AB8C11 |
26.96 |
2.85 |
-9.48 |
-0.04 |
0 |
|
|
19174 |
556559 |
1 |
OC21H38 |
AB21C38 |
-59.66 |
2.14 |
-9.36 |
1.31 |
0 |
|
|
19175 |
556635 |
6 |
C2H3 |
A2B3 |
31.22 |
0.02 |
-9.74 |
1.98 |
0 |
|
|
19176 |
556680 |
1 |
OSiCl2C6H8 |
ABC2D6E8 |
-139.77 |
2.19 |
-8.79 |
-0.42 |
0 |
|
|
19177 |
556697 |
1 |
C11H18 |
A11B18 |
-8.23 |
0.87 |
-9.5 |
1.45 |
0 |
|
|
19178 |
556773 |
1 |
OC10H14 |
AB10C14 |
-30.61 |
1.58 |
-9.64 |
1.22 |
0 |
|
|
19179 |
556820 |
1 |
OSeN2C8H8 |
ABC2D8E8 |
50.75 |
3.15 |
-8.77 |
-1.27 |
0 |
|
|
19180 |
556872 |
1 |
OC7H12 |
AB7C12 |
-49.82 |
2.1 |
-9.62 |
0.9 |
0 |
|
|
19181 |
556891 |
1 |
BrO2C6H11 |
AB2C6D11 |
-17.71 |
3.2 |
-9.92 |
-0.01 |
0 |
|
|
19182 |
556919 |
1 |
O2C15H20 |
A2B15C20 |
-62.4 |
6.46 |
-9.2 |
-0.15 |
0 |
|
|
19183 |
556921 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-11.6 |
8.64 |
-8.8 |
-0.55 |
0 |
|
|
19184 |
556948 |
1 |
ClO2N5H12C14 |
AB2C5D12E14 |
23.19 |
4.27 |
-8.72 |
-0.59 |
0 |
|
|
19185 |
556961 |
4 |
C5H8 |
A5B8 |
-17.53 |
1.82 |
-8.98 |
1.33 |
0 |
|
|
19186 |
556962 |
1 |
IC10H17 |
AB10C17 |
29.82 |
1.38 |
-9.63 |
-0.6 |
0 |
|
|
19187 |
557036 |
1 |
OC9H14 |
AB9C14 |
-52.78 |
2.82 |
-9.66 |
0.75 |
0 |
|
|
19188 |
557054 |
1 |
O3C8H12 |
A3B8C12 |
-110.85 |
2.99 |
-9.92 |
1.76 |
0 |
|
|
19189 |
557100 |
2 |
BrC3H5 |
AB3C5 |
-28.16 |
2.61 |
-10.55 |
-0.42 |
0 |
|
|
19190 |
557212 |
1 |
NO2C16H23 |
AB2C16D23 |
-37.46 |
4.16 |
-9.46 |
0.25 |
0 |
|
|
19191 |
557224 |
1 |
O4C11H18 |
A4B11C18 |
-176.58 |
2.07 |
-10.24 |
0.5 |
0 |
|
|
19192 |
557261 |
1 |
SO3N4C12H20 |
AB3C4D12E20 |
-78.54 |
5.63 |
-9.49 |
0.04 |
0 |
|
|
19193 |
557264 |
1 |
O2C7H10 |
A2B7C10 |
-65.25 |
5.32 |
-11.0 |
-0.48 |
0 |
|
|
19194 |
557399 |
1 |
ClN2O3H17C19 |
AB2C3D17E19 |
-45.63 |
2.82 |
-9.02 |
-0.68 |
0 |
|
|
19195 |
557446 |
2 |
OC7H10 |
AB7C10 |
-98.87 |
3.85 |
-9.23 |
0.23 |
0 |
|
|
19196 |
557476 |
1 |
O2C13H22 |
A2B13C22 |
-123.3 |
3.27 |
-9.83 |
0.59 |
0 |
|
|
19197 |
557514 |
1 |
SC11H22 |
AB11C22 |
-47.71 |
1.62 |
-8.34 |
1.01 |
0 |
|
|
19198 |
557662 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-114.12 |
7.47 |
-9.66 |
0.04 |
0 |
|
|
19199 |
557666 |
4 |
OC2H3 |
AB2C3 |
-196.2 |
4.39 |
-10.77 |
0.42 |
0 |
|
|
19200 |
557679 |
1 |
FSN2O3C12H15 |
ABC2D3E12F15 |
-151.51 |
6.28 |
-9.34 |
-0.66 |
0 |
|
|
19201 |
557747 |
1 |
ClC6H11 |
AB6C11 |
-21.81 |
2.32 |
-9.96 |
1.18 |
0 |
|
|
19202 |
557769 |
1 |
BNOC7H18 |
ABCD7E18 |
-113.63 |
1.17 |
-9.29 |
1.16 |
0 |
|
|
19203 |
557813 |
1 |
O2C9H14 |
A2B9C14 |
-91.1 |
2.45 |
-10.23 |
0.08 |
0 |
|
|
19204 |
557830 |
1 |
O5C16H20 |
A5B16C20 |
-171.4 |
10.52 |
-10.0 |
-0.78 |
0 |
|
|
19205 |
557842 |
1 |
O2C15H24 |
A2B15C24 |
-116.13 |
2.26 |
-10.08 |
0.16 |
0 |
|
|
19206 |
557856 |
1 |
SO2C9H16 |
AB2C9D16 |
-91.9 |
3.33 |
-8.63 |
0.29 |
0 |
|
|
19207 |
557871 |
2 |
NOC4H8 |
ABC4D8 |
-18.97 |
4.64 |
-9.16 |
0.16 |
0 |
|
|
19208 |
557906 |
1 |
BrOC18H37 |
ABC18D37 |
-129.92 |
3.34 |
-10.4 |
-0.05 |
0 |
|
|
19209 |
558026 |
1 |
N2O4C53H82 |
A2B4C53D82 |
-240.46 |
7.26 |
-8.56 |
0.7 |
0 |
|
|
19210 |
558056 |
1 |
O2C13H20 |
A2B13C20 |
-114.11 |
2.95 |
-9.98 |
0.43 |
0 |
|
|
19211 |
558114 |
1 |
ClPC17H26 |
ABC17D26 |
-56.6 |
3.01 |
-9.07 |
0.45 |
0 |
|
|
19212 |
558120 |
2 |
OC9H15 |
AB9C15 |
-117.56 |
2.25 |
-10.34 |
0.9 |
0 |
|
|
19213 |
558182 |
1 |
NSiO2C9H15 |
ABC2D9E15 |
-55.01 |
3.03 |
-9.38 |
0.02 |
0 |
|
|
19214 |
558214 |
2 |
NO2C9H15 |
AB2C9D15 |
-91.72 |
3.91 |
-8.7 |
-0.58 |
0 |
|
|
19215 |
558222 |
1 |
N4O5H10C12 |
A4B5C10D12 |
-58.81 |
7.4 |
-9.93 |
-1.51 |
0 |
|
|
19216 |
558238 |
1 |
OC12H16 |
AB12C16 |
14.2 |
4.66 |
-8.63 |
-0.13 |
0 |
|
|
19217 |
558252 |
1 |
O4C27H48 |
A4B27C48 |
-282.83 |
1.94 |
-10.44 |
0.8 |
0 |
|
|
19218 |
558278 |
1 |
NO6C21H21 |
AB6C21D21 |
-114.04 |
7.45 |
-9.56 |
-1.4 |
0 |
|
|
19219 |
558288 |
1 |
NOC11H17 |
ABC11D17 |
-27.62 |
6.91 |
-8.68 |
0.36 |
0 |
|
|
19220 |
558296 |
2 |
O2C8H9 |
A2B8C9 |
-145.37 |
0.47 |
-8.67 |
-0.26 |
0 |
|
|
19221 |
558307 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-7.1 |
3.7 |
-8.35 |
-0.02 |
0 |
|
|
19222 |
558323 |
1 |
NO4C25H33 |
AB4C25D33 |
-179.11 |
4.5 |
-8.22 |
-0.1 |
0 |
|
|
19223 |
558362 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-61.95 |
4.47 |
-8.47 |
-1.07 |
0 |
|
|
19224 |
558363 |
1 |
NC6H13 |
AB6C13 |
7.81 |
1.56 |
-8.72 |
1.29 |
0 |
|
|
19225 |
558378 |
1 |
NO2C10H19 |
AB2C10D19 |
-126.12 |
3.99 |
-9.94 |
1.17 |
0 |
|
|
19226 |
558385 |
1 |
ClO2F3N3C29H31 |
AB2C3D3E29F31 |
-164.3 |
6.44 |
-8.65 |
-1.32 |
0 |
|
|
19227 |
558386 |
1 |
NO2C7H13 |
AB2C7D13 |
-107.84 |
4.62 |
-9.78 |
1.3 |
0 |
|
|
19228 |
558453 |
2 |
O2C4H5 |
A2B4C5 |
-170.79 |
2.08 |
-10.72 |
-0.45 |
0 |
|
|
19229 |
558469 |
1 |
O3C8H16 |
A3B8C16 |
-161.42 |
3.57 |
-10.01 |
1.72 |
0 |
|
|
19230 |
558517 |
1 |
NC10H21 |
AB10C21 |
-36.59 |
1.64 |
-8.68 |
3.27 |
0 |