List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
369092 |
127331251 |
1 |
OSN5C17H19 |
ABC5D17E19 |
37.5 |
2.36 |
-8.62 |
-0.51 |
0 |
|
|
369093 |
127331252 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-82.61 |
0.81 |
-8.61 |
-0.26 |
0 |
|
|
369094 |
127331253 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-10.36 |
0.91 |
-8.64 |
-0.2 |
0 |
|
|
369095 |
127331254 |
1 |
SO3N4C19H26 |
AB3C4D19E26 |
-99.92 |
5.01 |
-8.68 |
-0.32 |
0 |
|
|
369096 |
127331256 |
1 |
SN2O2C15H20 |
AB2C2D15E20 |
-88.35 |
2.73 |
-8.55 |
-0.16 |
0 |
|
|
369097 |
127331257 |
1 |
OSN4C16H16 |
ABC4D16E16 |
21.76 |
4.53 |
-8.7 |
-0.66 |
0 |
|
|
369098 |
127331258 |
1 |
OSN4C17H20 |
ABC4D17E20 |
17.58 |
0.98 |
-8.59 |
-0.19 |
0 |
|
|
369099 |
127331259 |
1 |
SO2N4C18H26 |
AB2C4D18E26 |
-72.6 |
4.74 |
-8.65 |
-0.3 |
0 |
|
|
369100 |
127331260 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-80.68 |
0.72 |
-8.61 |
-0.28 |
0 |
|
|
369101 |
127331261 |
1 |
SO2N3C22H25 |
AB2C3D22E25 |
-44.58 |
5.02 |
-8.6 |
-0.25 |
0 |
|
|
369102 |
127331262 |
1 |
OSN3C14H19 |
ABC3D14E19 |
-19.88 |
3.74 |
-8.55 |
-0.19 |
0 |
|
|
369103 |
127331263 |
1 |
SO2N4C20H28 |
AB2C4D20E28 |
-69.05 |
6.27 |
-8.46 |
-0.11 |
0 |
|
|
369104 |
127331264 |
1 |
OSN3C15H21 |
ABC3D15E21 |
-20.84 |
2.33 |
-8.56 |
-0.12 |
0 |
|
|
369105 |
127331265 |
1 |
ON6C18H24 |
AB6C18D24 |
30.15 |
3.44 |
-8.89 |
-0.89 |
0 |
|
|
369106 |
127331266 |
1 |
ON6C22H32 |
AB6C22D32 |
16.58 |
3.64 |
-8.9 |
-0.84 |
0 |
|
|
369107 |
127331276 |
2 |
ON2C11H12 |
AB2C11D12 |
-0.64 |
7.18 |
-8.71 |
-1.04 |
0 |
|
|
369108 |
127331277 |
1 |
SO2N3C19H19 |
AB2C3D19E19 |
3.33 |
7.49 |
-8.89 |
-0.92 |
0 |
|
|
369109 |
127331278 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-46.16 |
6.83 |
-9.04 |
-0.86 |
0 |
|
|
369110 |
127331279 |
1 |
NSO2C14H17 |
ABC2D14E17 |
-65.15 |
2.64 |
-8.5 |
0.0 |
0 |
|
|
369111 |
127331286 |
1 |
O2N5C19H23 |
A2B5C19D23 |
11.2 |
11.5 |
-8.79 |
-0.62 |
0 |
|
|
369112 |
127331287 |
1 |
O2N3C19H19 |
A2B3C19D19 |
-17.4 |
8.19 |
-8.94 |
-0.69 |
0 |
|
|
369113 |
127331288 |
1 |
O3N4C14H16 |
A3B4C14D16 |
-75.7 |
6.06 |
-8.95 |
-0.8 |
0 |
|
|
369114 |
127331289 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-82.6 |
4.77 |
-9.2 |
-0.95 |
0 |
|
|
369115 |
127331299 |
1 |
N3O4C15H19 |
A3B4C15D19 |
-118.78 |
5.45 |
-9.12 |
-0.89 |
0 |
|
|
369116 |
127331304 |
3 |
NOC6H7 |
ABC6D7 |
-79.5 |
4.32 |
-9.14 |
-0.88 |
0 |
|
|
369117 |
127331305 |
1 |
N3O3C14H17 |
A3B3C14D17 |
-83.07 |
8.53 |
-8.86 |
-0.64 |
0 |
|
|
369118 |
127331306 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-84.94 |
8.25 |
-9.05 |
-0.77 |
0 |
|
|
369119 |
127331307 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
-37.2 |
7.6 |
-8.64 |
-0.82 |
0 |
|
|
369120 |
127331308 |
1 |
O3N5C19H19 |
A3B5C19D19 |
5.66 |
4.16 |
-9.35 |
-1.43 |
0 |
|
|
369121 |
127331309 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-133.92 |
8.42 |
-8.95 |
-0.82 |
0 |
|
|
369122 |
127331310 |
1 |
SN3O3H15C16 |
AB3C3D15E16 |
-39.96 |
8.29 |
-9.02 |
-1.26 |
0 |
|
|
369123 |
127331346 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-29.51 |
6.96 |
-9.08 |
-0.9 |
0 |
|
|
369124 |
127331347 |
2 |
ON2C11H12 |
AB2C11D12 |
4.83 |
6.45 |
-8.36 |
-0.93 |
0 |
|
|
369125 |
127331348 |
1 |
O3N5C19H21 |
A3B5C19D21 |
-15.77 |
6.83 |
-9.21 |
-1.02 |
0 |
|
|
369126 |
127331358 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-19.87 |
5.94 |
-8.63 |
-0.82 |
0 |
|
|
369127 |
127331359 |
1 |
O2N3C15H17 |
A2B3C15D17 |
1.58 |
7.9 |
-9.02 |
-0.81 |
0 |
|
|
369128 |
127331360 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-30.19 |
6.83 |
-8.55 |
-0.93 |
0 |
|
|
369129 |
127331361 |
2 |
ON2C11H15 |
AB2C11D15 |
-44.43 |
7.41 |
-8.38 |
-0.92 |
0 |
|
|
369130 |
127331362 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-43.16 |
6.57 |
-8.96 |
-0.83 |
0 |
|
|
369131 |
127331363 |
2 |
N2O2C9H11 |
A2B2C9D11 |
-114.89 |
7.14 |
-9.13 |
-1.09 |
0 |
|
|
369132 |
127331364 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-21.4 |
3.71 |
-8.81 |
-0.34 |
0 |
|
|
369133 |
127331365 |
1 |
NSO2C14H17 |
ABC2D14E17 |
-61.48 |
5.11 |
-8.41 |
-0.02 |
0 |
|
|
369134 |
127331366 |
1 |
O2N3C19H23 |
A2B3C19D23 |
4.58 |
6.36 |
-9.08 |
-0.88 |
0 |
|
|
369135 |
127331367 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-122.42 |
8.15 |
-9.16 |
-0.94 |
0 |
|
|
369136 |
127331368 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-80.81 |
7.5 |
-9.24 |
-1.07 |
0 |
|
|
369137 |
127331369 |
1 |
FO2N3H22C23 |
AB2C3D22E23 |
-55.87 |
8.38 |
-8.65 |
-1.08 |
0 |
|
|
369138 |
127331370 |
3 |
NOC7H9 |
ABC7D9 |
-88.14 |
7.46 |
-9.04 |
-0.83 |
0 |
|
|
369139 |
127331372 |
1 |
O2N5C22H27 |
A2B5C22D27 |
-14.61 |
8.6 |
-8.61 |
-1.09 |
0 |
|
|
369140 |
127331373 |
1 |
O2N3C22H23 |
A2B3C22D23 |
-8.97 |
7.56 |
-9.07 |
-0.86 |
0 |
|
|
369141 |
127331374 |
1 |
NSO2C15H19 |
ABC2D15E19 |
-68.15 |
3.13 |
-8.49 |
0.01 |
0 |
|
|
369142 |
127331375 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-24.19 |
8.15 |
-9.01 |
-0.8 |
0 |
|
|
369143 |
127331376 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-27.27 |
7.08 |
-8.99 |
-0.84 |
0 |
|
|
369144 |
127331377 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-11.2 |
5.44 |
-8.18 |
-0.4 |
0 |
|
|
369145 |
127331378 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-19.5 |
7.14 |
-9.05 |
-0.84 |
0 |
|
|
369146 |
127331379 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-76.41 |
5.84 |
-9.09 |
-0.86 |
0 |
|
|
369147 |
127331380 |
1 |
O2S2N5C13H13 |
A2B2C5D13E13 |
-2.91 |
3.46 |
-8.79 |
-0.77 |
0 |
|
|
369148 |
127331382 |
1 |
SO2N5C12H13 |
AB2C5D12E13 |
-5.96 |
6.32 |
-8.98 |
-0.88 |
0 |
|
|
369149 |
127331383 |
1 |
SO3N5H15C17 |
AB3C5D15E17 |
-7.33 |
4.62 |
-8.74 |
-0.61 |
0 |
|
|
369150 |
127331384 |
1 |
SO2N4C11H12 |
AB2C4D11E12 |
-7.13 |
5.64 |
-8.9 |
-0.78 |
0 |
|
|
369151 |
127331385 |
1 |
OSN4C11H12 |
ABC4D11E12 |
46.43 |
3.56 |
-8.78 |
-0.69 |
0 |
|
|
369152 |
127331390 |
1 |
SO2N4C14H18 |
AB2C4D14E18 |
-30.39 |
4.97 |
-8.68 |
-0.64 |
0 |
|
|
369153 |
127331391 |
1 |
S2O3N5C12H15 |
A2B3C5D12E15 |
-47.96 |
6.21 |
-8.64 |
-0.55 |
0 |
|
|
369154 |
127331397 |
1 |
OS2N8C14H16 |
AB2C8D14E16 |
109.99 |
6.77 |
-8.98 |
-0.86 |
0 |
|
|
369155 |
127331398 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
10.43 |
2.67 |
-8.77 |
-0.68 |
0 |
|
|
369156 |
127331399 |
1 |
SO2N6H14C16 |
AB2C6D14E16 |
79.24 |
6.85 |
-9.0 |
-1.28 |
0 |
|
|
369157 |
127331445 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-61.48 |
2.87 |
-9.34 |
-1.17 |
0 |
|
|
369158 |
127331446 |
1 |
SO2N4C15H16 |
AB2C4D15E16 |
-15.89 |
2.38 |
-9.49 |
-0.89 |
0 |
|
|
369159 |
127331447 |
1 |
SN4O4C16H18 |
AB4C4D16E18 |
-90.69 |
2.56 |
-9.55 |
-1.23 |
0 |
|
|
369160 |
127331453 |
2 |
ON2C9H13 |
AB2C9D13 |
-84.33 |
6.64 |
-9.76 |
-0.39 |
0 |
|
|
369161 |
127331454 |
1 |
SO3N5C16H19 |
AB3C5D16E19 |
-56.69 |
5.08 |
-9.78 |
-1.03 |
0 |
|
|
369162 |
127331455 |
1 |
O2N5C16H17 |
A2B5C16D17 |
26.4 |
5.24 |
-10.13 |
-1.38 |
0 |
|
|
369163 |
127331456 |
1 |
O3N5C17H23 |
A3B5C17D23 |
-116.02 |
4.06 |
-9.87 |
-0.56 |
0 |
|
|
369164 |
127331465 |
2 |
ON2C9H13 |
AB2C9D13 |
-49.16 |
4.42 |
-9.39 |
-1.17 |
0 |
|
|
369165 |
127331466 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-67.63 |
3.91 |
-9.29 |
-0.39 |
0 |
|
|
369166 |
127331467 |
1 |
N3O4C16H25 |
A3B4C16D25 |
-196.48 |
2.86 |
-9.45 |
-1.06 |
0 |
|
|
369167 |
127331468 |
1 |
NO4C20H29 |
AB4C20D29 |
-183.41 |
6.53 |
-9.4 |
-0.53 |
0 |
|
|
369168 |
127331469 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-88.34 |
6.04 |
-9.49 |
0.43 |
0 |
|
|
369169 |
127331470 |
4 |
NOC5H7 |
ABC5D7 |
-167.36 |
3.11 |
-9.61 |
-1.33 |
0 |
|
|
369170 |
127331471 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-113.04 |
6.38 |
-8.62 |
-0.24 |
0 |
|
|
369171 |
127331472 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-129.83 |
4.9 |
-8.99 |
-0.3 |
0 |
|
|
369172 |
127331473 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-56.92 |
5.86 |
-9.6 |
-0.94 |
0 |
|
|
369173 |
127331475 |
1 |
NO4C20H29 |
AB4C20D29 |
-159.58 |
3.2 |
-9.35 |
-0.54 |
0 |
|
|
369174 |
127331476 |
1 |
SN2O3C21H30 |
AB2C3D21E30 |
-139.55 |
3.27 |
-8.78 |
-0.61 |
0 |
|
|
369175 |
127331477 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-140.41 |
4.76 |
-8.92 |
-0.26 |
0 |
|
|
369176 |
127331478 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-44.33 |
5.15 |
-9.35 |
-0.84 |
0 |
|
|
369177 |
127331479 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-84.14 |
7.69 |
-9.29 |
-0.76 |
0 |
|
|
369178 |
127331480 |
1 |
N2O3C20H34 |
A2B3C20D34 |
-178.1 |
6.33 |
-9.36 |
0.73 |
0 |
|
|
369179 |
127331481 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-170.04 |
6.9 |
-9.45 |
-0.42 |
0 |
|
|
369180 |
127331482 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-145.49 |
3.29 |
-9.27 |
-1.04 |
0 |
|
|
369181 |
127331483 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-143.55 |
5.22 |
-8.97 |
-0.24 |
0 |
|
|
369182 |
127331484 |
1 |
NSO4C16H29 |
ABC4D16E29 |
-215.64 |
7.88 |
-9.84 |
0.7 |
0 |
|
|
369183 |
127331485 |
2 |
NOC10H13 |
ABC10D13 |
-65.84 |
3.82 |
-9.49 |
-1.13 |
0 |
|
|
369184 |
127331486 |
1 |
O2N3C21H35 |
A2B3C21D35 |
-99.75 |
4.65 |
-9.38 |
0.36 |
0 |
|
|
369185 |
127331487 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-162.9 |
5.4 |
-9.14 |
-0.8 |
0 |
|
|
369186 |
127331488 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-103.13 |
5.34 |
-9.47 |
-1.07 |
0 |
|
|
369187 |
127331489 |
1 |
SN2O4C16H30 |
AB2C4D16E30 |
-205.07 |
5.45 |
-9.63 |
0.68 |
0 |
|
|
369188 |
127331490 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-166.39 |
3.59 |
-9.46 |
0.76 |
0 |
|
|
369189 |
127331491 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-60.77 |
5.28 |
-9.06 |
-0.79 |
0 |
|
|
369190 |
127331492 |
1 |
O4N5C19H29 |
A4B5C19D29 |
-164.11 |
4.57 |
-9.38 |
-0.78 |
0 |
|
|
369191 |
127331493 |
1 |
O2N5C18H25 |
A2B5C18D25 |
-6.11 |
4.23 |
-9.69 |
-1.4 |
0 |