List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
313120 |
126612077 |
1 |
NOH33C49 |
ABC33D49 |
181.59 |
2.68 |
-7.82 |
-0.65 |
0 |
|
|
313121 |
126612080 |
2 |
NC3H6 |
AB3C6 |
18.49 |
3.82 |
-8.25 |
0.59 |
0 |
|
|
313122 |
126612081 |
1 |
NOH37C48 |
ABC37D48 |
123.07 |
3.5 |
-7.87 |
-0.6 |
0 |
|
|
313123 |
126612083 |
1 |
NOH25C38 |
ABC25D38 |
132.03 |
2.43 |
-7.96 |
-0.54 |
0 |
|
|
313124 |
126612085 |
1 |
NH43C44 |
AB43C44 |
96.24 |
2.2 |
-7.54 |
-0.52 |
0 |
|
|
313125 |
126612087 |
2 |
NC4H8 |
AB4C8 |
13.03 |
3.51 |
-8.01 |
0.68 |
0 |
|
|
313126 |
126612090 |
1 |
NO3H23C42 |
AB3C23D42 |
208.52 |
2.91 |
-8.1 |
-0.81 |
0 |
|
|
313127 |
126612091 |
1 |
FBr2N2H17C26 |
AB2C2D17E26 |
86.14 |
3.59 |
-8.94 |
-1.11 |
0 |
|
|
313128 |
126612098 |
1 |
O4C23H30 |
A4B23C30 |
-156.77 |
4.57 |
-8.56 |
-0.55 |
0 |
|
|
313129 |
126612102 |
4 |
OC5H6 |
AB5C6 |
-142.47 |
4.39 |
-8.56 |
-0.53 |
0 |
|
|
313130 |
126612113 |
1 |
O5C34H36 |
A5B34C36 |
-115.53 |
2.27 |
-9.19 |
0.12 |
0 |
|
|
313131 |
126612123 |
1 |
O10C39H48 |
A10B39C48 |
-376.26 |
1.01 |
-9.26 |
0.17 |
0 |
|
|
313132 |
126612131 |
4 |
OC5H6 |
AB5C6 |
-132.99 |
4.55 |
-9.22 |
0.13 |
0 |
|
|
313133 |
126612132 |
2 |
O2C7H14 |
A2B7C14 |
-224.12 |
5.04 |
-9.58 |
1.29 |
0 |
|
|
313134 |
126612133 |
1 |
SO9C55H60 |
AB9C55D60 |
-222.73 |
7.1 |
-8.81 |
-0.22 |
0 |
|
|
313135 |
126612141 |
1 |
O10C39H48 |
A10B39C48 |
-377.34 |
3.02 |
-9.27 |
0.18 |
0 |
|
|
313136 |
126612146 |
1 |
NOS2H33C46 |
ABC2D33E46 |
129.21 |
5.71 |
-7.83 |
-0.9 |
0 |
|
|
313137 |
126612170 |
1 |
NOH53C72 |
ABC53D72 |
320.04 |
2.2 |
-7.72 |
-0.49 |
0 |
|
|
313138 |
126612171 |
1 |
NOC130H133 |
ABC130D133 |
153.96 |
2.24 |
-7.73 |
-0.72 |
0 |
|
|
313139 |
126612172 |
1 |
NO3H41C64 |
AB3C41D64 |
185.6 |
2.78 |
-7.92 |
-0.92 |
0 |
|
|
313140 |
126612183 |
1 |
NOCl3H18C25 |
ABC3D18E25 |
42.36 |
2.19 |
-8.57 |
-0.6 |
0 |
|
|
313141 |
126612202 |
1 |
NO3H29C48 |
AB3C29D48 |
117.35 |
2.21 |
-7.98 |
-0.76 |
0 |
|
|
313142 |
126612205 |
1 |
NOH77C104 |
ABC77D104 |
300.99 |
2.35 |
-7.72 |
-0.87 |
0 |
|
|
313143 |
126612207 |
1 |
NOC48H53 |
ABC48D53 |
16.83 |
3.06 |
-7.72 |
-0.22 |
0 |
|
|
313144 |
126612214 |
1 |
NO3H41C74 |
AB3C41D74 |
486.18 |
5.79 |
-7.02 |
-0.96 |
0 |
|
|
313145 |
126612230 |
1 |
NOH53C70 |
ABC53D70 |
185.72 |
3.04 |
-7.76 |
-0.8 |
0 |
|
|
313146 |
126612244 |
1 |
ON3H27C42 |
AB3C27D42 |
170.11 |
1.95 |
-7.9 |
-0.66 |
0 |
|
|
313147 |
126612249 |
1 |
NOH33C38 |
ABC33D38 |
66.89 |
0.32 |
-8.26 |
-0.45 |
0 |
|
|
313148 |
126612254 |
1 |
NOH53C56 |
ABC53D56 |
74.13 |
1.12 |
-7.64 |
-0.53 |
0 |
|
|
313149 |
126612255 |
1 |
NOH53C66 |
ABC53D66 |
150.09 |
1.47 |
-7.58 |
-0.65 |
0 |
|
|
313150 |
126612257 |
1 |
NOH49C66 |
ABC49D66 |
194.71 |
2.42 |
-7.77 |
-0.45 |
0 |
|
|
313151 |
126612258 |
1 |
NOH57C86 |
ABC57D86 |
296.01 |
3.1 |
-7.54 |
-0.74 |
0 |
|
|
313152 |
126612259 |
1 |
NOH39C58 |
ABC39D58 |
307.47 |
3.6 |
-7.68 |
-0.57 |
0 |
|
|
313153 |
126612261 |
1 |
NOH53C74 |
ABC53D74 |
229.58 |
3.37 |
-7.72 |
-0.79 |
0 |
|
|
313154 |
126612263 |
1 |
NOH69C92 |
ABC69D92 |
253.67 |
2.48 |
-7.71 |
-0.83 |
0 |
|
|
313155 |
126612265 |
3 |
NC5H7 |
AB5C7 |
52.83 |
3.18 |
-9.98 |
-0.58 |
0 |
|
|
313156 |
126612270 |
1 |
ON3H31C42 |
AB3C31D42 |
165.45 |
3.2 |
-7.58 |
-0.32 |
0 |
|
|
313157 |
126612272 |
1 |
ON3H51C72 |
AB3C51D72 |
291.33 |
3.56 |
-7.36 |
-0.09 |
0 |
|
|
313158 |
126612274 |
1 |
ON3H47C58 |
AB3C47D58 |
179.97 |
4.49 |
-7.57 |
-0.19 |
0 |
|
|
313159 |
126612275 |
1 |
NOC11H21 |
ABC11D21 |
-88.06 |
3.81 |
-10.2 |
1.27 |
0 |
|
|
313160 |
126612304 |
1 |
OF3N6H21C24 |
AB3C6D21E24 |
-76.77 |
2.34 |
-9.22 |
-1.46 |
0 |
|
|
313161 |
126612328 |
2 |
O2C8H9 |
A2B8C9 |
-124.87 |
2.08 |
-8.41 |
-0.17 |
0 |
|
|
313162 |
126612341 |
2 |
O3C10H21 |
A3B10C21 |
-323.01 |
1.39 |
-9.63 |
1.4 |
0 |
|
|
313163 |
126612347 |
4 |
OC5H8 |
AB5C8 |
-186.08 |
2.96 |
-8.84 |
0.4 |
0 |
|
|
313164 |
126612352 |
1 |
O4C27H30 |
A4B27C30 |
-110.67 |
2.84 |
-8.8 |
0.13 |
0 |
|
|
313165 |
126612354 |
1 |
SN4C8H12 |
AB4C8D12 |
44.87 |
3.43 |
-8.9 |
-0.65 |
0 |
|
|
313166 |
126612355 |
1 |
O4C27H30 |
A4B27C30 |
-111.6 |
2.31 |
-8.77 |
0.16 |
0 |
|
|
313167 |
126612356 |
2 |
ON3C11H14 |
AB3C11D14 |
-6.71 |
4.62 |
-9.04 |
-1.01 |
0 |
|
|
313168 |
126612357 |
1 |
ON6C18H22 |
AB6C18D22 |
27.57 |
3.79 |
-8.93 |
-0.71 |
0 |
|
|
313169 |
126612358 |
1 |
IN4H11C14 |
AB4C11D14 |
131.07 |
4.68 |
-9.05 |
-3.1 |
0 |
|
|
313170 |
126612361 |
1 |
N3C19H19 |
A3B19C19 |
54.51 |
2.4 |
-8.27 |
-0.64 |
0 |
|
|
313171 |
126612363 |
1 |
SO3N9C30H35 |
AB3C9D30E35 |
21.11 |
4.87 |
-8.26 |
-0.89 |
0 |
|
|
313172 |
126612364 |
1 |
FSO2N8H31C32 |
ABC2D8E31F32 |
33.64 |
4.19 |
-8.25 |
-1.23 |
0 |
|
|
313173 |
126612367 |
1 |
NO4C10H15 |
AB4C10D15 |
-114.19 |
4.14 |
-11.1 |
-0.96 |
0 |
|
|
313174 |
126612368 |
1 |
ON3H21C22 |
AB3C21D22 |
72.45 |
2.38 |
-8.34 |
-0.51 |
0 |
|
|
313175 |
126612370 |
1 |
O4C21H26 |
A4B21C26 |
-156.0 |
5.72 |
-8.85 |
-0.35 |
0 |
|
|
313176 |
126612372 |
1 |
O4C21H26 |
A4B21C26 |
-152.34 |
4.84 |
-8.76 |
-0.47 |
0 |
|
|
313177 |
126612374 |
1 |
O4C21H26 |
A4B21C26 |
-153.02 |
5.03 |
-8.43 |
-0.56 |
0 |
|
|
313178 |
126612377 |
1 |
SN2O4C18H30 |
AB2C4D18E30 |
-181.84 |
2.08 |
-9.62 |
-1.06 |
0 |
|
|
313179 |
126612378 |
1 |
NOC12H19 |
ABC12D19 |
-11.73 |
2.3 |
-8.98 |
-0.03 |
0 |
|
|
313180 |
126612386 |
1 |
FSO2N4H21C22 |
ABC2D4E21F22 |
-37.45 |
3.99 |
-8.91 |
-1.28 |
0 |
|
|
313181 |
126612390 |
1 |
NO3H15C18 |
AB3C15D18 |
-61.95 |
4.79 |
-9.35 |
-1.55 |
0 |
|
|
313182 |
126612401 |
1 |
NC13H23 |
AB13C23 |
0.56 |
1.64 |
-8.48 |
1.15 |
0 |
|
|
313183 |
126612411 |
4 |
OC5H6 |
AB5C6 |
-143.45 |
5.29 |
-8.76 |
-0.55 |
0 |
|
|
313184 |
126612419 |
1 |
OF3N5H24C26 |
AB3C5D24E26 |
-96.73 |
4.39 |
-9.14 |
-0.88 |
0 |
|
|
313185 |
126612420 |
1 |
ClO2N5H20C21 |
AB2C5D20E21 |
-2.48 |
7.48 |
-9.27 |
-0.86 |
0 |
|
|
313186 |
126612421 |
1 |
OF3N4H27C28 |
AB3C4D27E28 |
-116.78 |
7.4 |
-9.2 |
-0.85 |
0 |
|
|
313187 |
126612429 |
1 |
ClO2F3N4H16C19 |
AB2C3D4E16F19 |
-117.32 |
7.12 |
-9.36 |
-1.17 |
0 |
|
|
313188 |
126612434 |
1 |
FNSCl2O2H16C22 |
ABCD2E2F16G22 |
-77.36 |
4.73 |
-9.12 |
-1.18 |
0 |
|
|
313189 |
126612458 |
1 |
ClSO2N4F5H14C16 |
ABC2D4E5F14G16 |
-226.44 |
9.09 |
-9.98 |
-1.31 |
0 |
|
|
313190 |
126612459 |
1 |
ClF2O2N4H15C17 |
AB2C2D4E15F17 |
-87.53 |
4.66 |
-9.78 |
-1.01 |
0 |
|
|
313191 |
126612460 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-0.68 |
7.85 |
-8.71 |
-0.99 |
0 |
|
|
313192 |
126612471 |
1 |
FO2N3C24H24 |
AB2C3D24E24 |
-67.0 |
2.0 |
-8.92 |
-0.89 |
0 |
|
|
313193 |
126612489 |
1 |
F2S2O9C18H22 |
A2B2C9D18E22 |
-446.65 |
6.43 |
-9.4 |
-1.33 |
0 |
|
|
313194 |
126612492 |
1 |
ON3C9H13 |
AB3C9D13 |
-20.04 |
7.39 |
-9.44 |
0.31 |
0 |
|
|
313195 |
126612494 |
2 |
NOC5H9 |
ABC5D9 |
-39.58 |
3.15 |
-8.95 |
-1.36 |
0 |
|
|
313196 |
126612543 |
1 |
ClN2O2C17H29 |
AB2C2D17E29 |
-156.96 |
4.24 |
-9.88 |
0.67 |
0 |
|
|
313197 |
126612546 |
1 |
PC7H13 |
AB7C13 |
-15.17 |
1.83 |
-8.76 |
1.49 |
0 |
|
|
313198 |
126612547 |
1 |
OC8H14 |
AB8C14 |
-41.31 |
2.0 |
-9.52 |
2.19 |
0 |
|
|
313199 |
126612551 |
1 |
N2C9H18 |
A2B9C18 |
-9.44 |
1.54 |
-8.58 |
2.75 |
0 |
|
|
313200 |
126612554 |
1 |
N4C25H36 |
A4B25C36 |
61.93 |
1.82 |
-8.0 |
-0.03 |
0 |
|
|
313201 |
126612566 |
1 |
N2O7C27H32 |
A2B7C27D32 |
-282.66 |
6.06 |
-9.4 |
-0.72 |
0 |
|
|
313202 |
126612576 |
1 |
O3N4C27H32 |
A3B4C27D32 |
-44.23 |
4.06 |
-8.49 |
-0.7 |
0 |
|
|
313203 |
126612578 |
1 |
NC8H15 |
AB8C15 |
7.78 |
2.05 |
-8.45 |
1.58 |
0 |
|
|
313204 |
126612580 |
1 |
NSO2C7H13 |
ABC2D7E13 |
-74.98 |
2.54 |
-8.22 |
-0.3 |
0 |
|
|
313205 |
126612581 |
1 |
NC12H23 |
AB12C23 |
-19.75 |
1.55 |
-8.48 |
1.27 |
0 |
|
|
313206 |
126612585 |
1 |
N5C28H41 |
A5B28C41 |
62.54 |
2.74 |
-8.46 |
-0.59 |
0 |
|
|
313207 |
126612586 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-106.98 |
4.99 |
-9.04 |
-0.28 |
0 |
|
|
313208 |
126612589 |
1 |
O2N3H7C8 |
A2B3C7D8 |
-30.4 |
1.87 |
-9.79 |
-1.59 |
0 |
|
|
313209 |
126612590 |
1 |
NSC10H19 |
ABC10D19 |
4.5 |
3.61 |
-8.26 |
1.16 |
0 |
|
|
313210 |
126612597 |
1 |
NC8H15 |
AB8C15 |
10.0 |
1.64 |
-9.06 |
0.29 |
0 |
|
|
313211 |
126612602 |
1 |
O2Cl3C5H5 |
A2B3C5D5 |
-110.86 |
2.64 |
-11.24 |
-1.04 |
0 |
|
|
313212 |
126612605 |
1 |
N2Cl3O4H17C18 |
A2B3C4D17E18 |
-148.92 |
4.28 |
-8.95 |
-0.79 |
0 |
|
|
313213 |
126612609 |
2 |
NOH9C11 |
ABC9D11 |
81.31 |
2.62 |
-9.02 |
-0.48 |
0 |
|
|
313214 |
126612611 |
1 |
SN5O7C43H67 |
AB5C7D43E67 |
-315.28 |
9.87 |
-8.88 |
-0.8 |
0 |
|
|
313215 |
126612618 |
1 |
ClN2O2C13H25 |
AB2C2D13E25 |
-147.54 |
4.53 |
-9.88 |
0.4 |
0 |
|
|
313216 |
126612626 |
1 |
ClN2O2C11H21 |
AB2C2D11E21 |
-137.41 |
4.39 |
-9.82 |
0.46 |
0 |
|
|
313217 |
126612627 |
1 |
ClN2O2H17C21 |
AB2C2D17E21 |
54.7 |
3.23 |
-9.15 |
-0.55 |
0 |
|
|
313218 |
126612629 |
1 |
ClN2O2C11H17 |
AB2C2D11E17 |
-74.53 |
7.18 |
-9.98 |
0.15 |
0 |
|
|
313219 |
126612649 |
2 |
NC6H7 |
AB6C7 |
52.71 |
2.65 |
-8.32 |
0.06 |
0 |