List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
360088 |
127300375 |
1 |
SO3N4C17H28 |
AB3C4D17E28 |
-132.42 |
6.91 |
-8.95 |
0.32 |
0 |
|
|
360089 |
127300376 |
1 |
ON5C19H33 |
AB5C19D33 |
-52.02 |
3.91 |
-8.69 |
0.93 |
0 |
|
|
360090 |
127300377 |
2 |
ON2C9H15 |
AB2C9D15 |
-110.31 |
3.52 |
-8.74 |
0.92 |
0 |
|
|
360091 |
127300424 |
1 |
ON6C20H30 |
AB6C20D30 |
-23.22 |
2.83 |
-8.69 |
0.55 |
0 |
|
|
360092 |
127300425 |
1 |
ON5C22H31 |
AB5C22D31 |
-15.65 |
6.65 |
-8.62 |
-0.18 |
0 |
|
|
360093 |
127300426 |
1 |
ON4C19H32 |
AB4C19D32 |
-59.49 |
7.35 |
-8.51 |
0.71 |
0 |
|
|
360094 |
127300427 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-113.36 |
2.25 |
-9.13 |
0.6 |
0 |
|
|
360095 |
127300428 |
1 |
ON4C22H34 |
AB4C22D34 |
-65.54 |
3.45 |
-8.68 |
1.05 |
0 |
|
|
360096 |
127300429 |
1 |
ON4C19H32 |
AB4C19D32 |
-66.54 |
3.01 |
-8.68 |
0.99 |
0 |
|
|
360097 |
127300430 |
2 |
ON2C9H15 |
AB2C9D15 |
-96.36 |
5.32 |
-8.64 |
0.74 |
0 |
|
|
360098 |
127300431 |
1 |
O3N5C19H31 |
A3B5C19D31 |
-127.29 |
1.55 |
-8.83 |
0.4 |
0 |
|
|
360099 |
127300432 |
1 |
ON5C21H29 |
AB5C21D29 |
-15.17 |
3.84 |
-8.82 |
-0.11 |
0 |
|
|
360100 |
127300433 |
1 |
O2N4C19H32 |
A2B4C19D32 |
-105.09 |
1.28 |
-8.77 |
0.75 |
0 |
|
|
360101 |
127300486 |
1 |
FN2O3C15H19 |
AB2C3D15E19 |
-162.32 |
2.69 |
-9.11 |
-0.46 |
0 |
|
|
360102 |
127300487 |
1 |
FO2N3C15H20 |
AB2C3D15E20 |
-110.48 |
1.9 |
-8.95 |
-0.46 |
0 |
|
|
360103 |
127300488 |
1 |
S2N4O5C13H26 |
A2B4C5D13E26 |
-216.92 |
8.0 |
-9.1 |
0.15 |
0 |
|
|
360104 |
127300489 |
1 |
SO3N4C15H28 |
AB3C4D15E28 |
-108.82 |
4.8 |
-8.89 |
0.36 |
0 |
|
|
360105 |
127300490 |
1 |
SN4O4C13H24 |
AB4C4D13E24 |
-171.54 |
4.16 |
-9.76 |
0.18 |
0 |
|
|
360106 |
127300491 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-99.79 |
5.64 |
-8.68 |
-0.18 |
0 |
|
|
360107 |
127300492 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-112.35 |
5.1 |
-9.45 |
0.01 |
0 |
|
|
360108 |
127300493 |
1 |
SO3N4C18H34 |
AB3C4D18E34 |
-149.84 |
2.33 |
-8.62 |
0.31 |
0 |
|
|
360109 |
127300494 |
1 |
SO3N4C13H26 |
AB3C4D13E26 |
-130.96 |
4.32 |
-8.62 |
0.17 |
0 |
|
|
360110 |
127300495 |
1 |
S2N4O5C14H28 |
A2B4C5D14E28 |
-216.83 |
2.47 |
-9.12 |
0.21 |
0 |
|
|
360111 |
127300496 |
1 |
SN4O4C12H22 |
AB4C4D12E22 |
-166.72 |
5.46 |
-9.94 |
0.22 |
0 |
|
|
360112 |
127300497 |
1 |
SO3N4C14H28 |
AB3C4D14E28 |
-127.97 |
3.68 |
-9.03 |
0.36 |
0 |
|
|
360113 |
127300498 |
1 |
SO3N4C14H28 |
AB3C4D14E28 |
-132.11 |
7.7 |
-8.77 |
0.34 |
0 |
|
|
360114 |
127300499 |
1 |
FO2N4C21H27 |
AB2C4D21E27 |
-64.01 |
6.46 |
-8.78 |
-0.74 |
0 |
|
|
360115 |
127300500 |
1 |
FON5C20H26 |
ABC5D20E26 |
-20.15 |
6.93 |
-8.62 |
-0.63 |
0 |
|
|
360116 |
127300501 |
1 |
FON5C21H28 |
ABC5D21E28 |
-44.81 |
6.48 |
-8.89 |
-0.83 |
0 |
|
|
360117 |
127300502 |
1 |
FO2N4C22H23 |
AB2C4D22E23 |
-64.66 |
5.44 |
-8.69 |
-0.71 |
0 |
|
|
360118 |
127300503 |
1 |
FON6C21H25 |
ABC6D21E25 |
-15.22 |
5.74 |
-8.82 |
-0.81 |
0 |
|
|
360119 |
127300504 |
1 |
FON5C22H30 |
ABC5D22E30 |
-52.5 |
3.09 |
-8.77 |
-0.98 |
0 |
|
|
360120 |
127300505 |
1 |
FO2N4C22H23 |
AB2C4D22E23 |
-65.25 |
6.77 |
-8.6 |
-0.63 |
0 |
|
|
360121 |
127300506 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-32.79 |
3.8 |
-8.84 |
-0.62 |
0 |
|
|
360122 |
127300507 |
1 |
SO2N5C19H23 |
AB2C5D19E23 |
-17.79 |
2.54 |
-8.87 |
-0.6 |
0 |
|
|
360123 |
127300508 |
2 |
ON2C10H14 |
AB2C10D14 |
-71.21 |
3.22 |
-8.81 |
-0.04 |
0 |
|
|
360124 |
127300577 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-63.77 |
6.32 |
-9.31 |
-1.31 |
0 |
|
|
360125 |
127300578 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-5.77 |
2.91 |
-10.08 |
-0.28 |
0 |
|
|
360126 |
127300579 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-57.43 |
4.83 |
-9.43 |
-0.35 |
0 |
|
|
360127 |
127300580 |
2 |
ON2C10H15 |
AB2C10D15 |
-57.63 |
2.38 |
-9.28 |
-0.28 |
0 |
|
|
360128 |
127300581 |
1 |
ON5C16H21 |
AB5C16D21 |
45.06 |
3.48 |
-10.42 |
-0.58 |
0 |
|
|
360129 |
127300582 |
2 |
ClON2C9H10 |
ABC2D9E10 |
-21.36 |
4.43 |
-9.53 |
-0.72 |
0 |
|
|
360130 |
127300604 |
1 |
SO3N5C15H17 |
AB3C5D15E17 |
-48.83 |
1.34 |
-9.34 |
-0.53 |
0 |
|
|
360131 |
127300605 |
1 |
SN3O3C11H13 |
AB3C3D11E13 |
-26.88 |
1.56 |
-9.31 |
-0.56 |
0 |
|
|
360132 |
127300606 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-60.35 |
3.39 |
-9.48 |
-0.28 |
0 |
|
|
360133 |
127300607 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-60.05 |
3.19 |
-9.6 |
-0.38 |
0 |
|
|
360134 |
127300608 |
1 |
OSN3C12H15 |
ABC3D12E15 |
57.68 |
2.95 |
-9.57 |
-1.2 |
0 |
|
|
360135 |
127300612 |
1 |
ON5C13H13 |
AB5C13D13 |
94.07 |
4.48 |
-9.45 |
-1.5 |
0 |
|
|
360136 |
127300613 |
1 |
SO2N3C13H17 |
AB2C3D13E17 |
-30.7 |
5.97 |
-8.89 |
-0.74 |
0 |
|
|
360137 |
127300614 |
1 |
ON2C10H14 |
AB2C10D14 |
23.31 |
2.31 |
-10.41 |
-0.26 |
0 |
|
|
360138 |
127300615 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-53.42 |
4.08 |
-9.68 |
-1.5 |
0 |
|
|
360139 |
127300616 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-86.03 |
2.06 |
-9.83 |
-0.26 |
0 |
|
|
360140 |
127300617 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-52.89 |
4.42 |
-9.52 |
-0.34 |
0 |
|
|
360141 |
127300618 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-18.27 |
6.4 |
-8.95 |
-1.37 |
0 |
|
|
360142 |
127300619 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-72.22 |
3.07 |
-9.75 |
-0.21 |
0 |
|
|
360143 |
127300719 |
1 |
O3N4H20C21 |
A3B4C20D21 |
-23.83 |
4.2 |
-8.93 |
-0.88 |
0 |
|
|
360144 |
127300720 |
1 |
O3N4H18C20 |
A3B4C18D20 |
-27.36 |
2.26 |
-8.93 |
-0.85 |
0 |
|
|
360145 |
127300721 |
2 |
ON2C11H12 |
AB2C11D12 |
11.18 |
2.64 |
-9.0 |
-0.86 |
0 |
|
|
360146 |
127300726 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-76.43 |
9.99 |
-8.22 |
-1.09 |
0 |
|
|
360147 |
127300727 |
1 |
SO4N5C16H19 |
AB4C5D16E19 |
-64.44 |
9.07 |
-9.5 |
-1.48 |
0 |
|
|
360148 |
127300728 |
1 |
SO3N6C16H20 |
AB3C6D16E20 |
-24.34 |
9.15 |
-8.76 |
-1.62 |
0 |
|
|
360149 |
127300729 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-54.98 |
3.73 |
-8.86 |
-0.16 |
0 |
|
|
360150 |
127300730 |
1 |
SO2N4C20H24 |
AB2C4D20E24 |
-43.92 |
5.86 |
-8.55 |
-0.54 |
0 |
|
|
360151 |
127300731 |
2 |
NOC10H16 |
ABC10D16 |
-140.34 |
3.31 |
-8.77 |
1.27 |
0 |
|
|
360152 |
127300732 |
1 |
SO3N6C16H18 |
AB3C6D16E18 |
13.68 |
9.52 |
-9.01 |
-1.58 |
0 |
|
|
360153 |
127300733 |
1 |
SO3N5C18H23 |
AB3C5D18E23 |
-42.02 |
9.84 |
-9.58 |
-1.55 |
0 |
|
|
360154 |
127300734 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-35.54 |
10.93 |
-9.58 |
-1.52 |
0 |
|
|
360155 |
127300735 |
1 |
SN3O4C16H27 |
AB3C4D16E27 |
-157.92 |
5.59 |
-8.82 |
0.24 |
0 |
|
|
360156 |
127300736 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-161.47 |
6.22 |
-8.97 |
0.21 |
0 |
|
|
360157 |
127300737 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-35.98 |
6.88 |
-9.58 |
-1.56 |
0 |
|
|
360158 |
127300738 |
1 |
SO4N5C16H19 |
AB4C5D16E19 |
-73.23 |
7.26 |
-9.63 |
-1.67 |
0 |
|
|
360159 |
127300739 |
1 |
SO3N5C16H19 |
AB3C5D16E19 |
-32.67 |
9.56 |
-9.6 |
-1.54 |
0 |
|
|
360160 |
127300740 |
1 |
SO4N5C15H17 |
AB4C5D15E17 |
-59.72 |
10.0 |
-9.64 |
-1.6 |
0 |
|
|
360161 |
127300741 |
1 |
ON5C17H23 |
AB5C17D23 |
28.61 |
6.23 |
-8.58 |
-0.49 |
0 |
|
|
360162 |
127300742 |
1 |
SN3O5C16H27 |
AB3C5D16E27 |
-247.72 |
8.63 |
-9.92 |
0.25 |
0 |
|
|
360163 |
127300743 |
1 |
S2N3O5C14H19 |
A2B3C5D14E19 |
-190.64 |
8.76 |
-9.87 |
-1.36 |
0 |
|
|
360164 |
127300744 |
1 |
SN3O5C14H19 |
AB3C5D14E19 |
-171.04 |
5.97 |
-9.6 |
-0.42 |
0 |
|
|
360165 |
127300748 |
1 |
SO2N6C18H24 |
AB2C6D18E24 |
-13.15 |
6.68 |
-8.66 |
-0.45 |
0 |
|
|
360166 |
127300749 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-50.0 |
6.51 |
-8.7 |
-0.42 |
0 |
|
|
360167 |
127300760 |
1 |
ON5C22H25 |
AB5C22D25 |
35.68 |
5.53 |
-8.69 |
-0.76 |
0 |
|
|
360168 |
127300761 |
1 |
ClON6C20H21 |
ABC6D20E21 |
62.34 |
5.77 |
-8.82 |
-0.9 |
0 |
|
|
360169 |
127300762 |
1 |
ON6C21H24 |
AB6C21D24 |
68.79 |
4.17 |
-8.83 |
-0.78 |
0 |
|
|
360170 |
127300786 |
1 |
ON4C21H30 |
AB4C21D30 |
-33.59 |
4.53 |
-9.07 |
-0.4 |
0 |
|
|
360171 |
127300787 |
1 |
SO3N5C18H29 |
AB3C5D18E29 |
-100.19 |
5.79 |
-9.18 |
-0.54 |
0 |
|
|
360172 |
127300788 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-68.53 |
5.74 |
-8.78 |
-0.33 |
0 |
|
|
360173 |
127300789 |
1 |
ON5C23H27 |
AB5C23D27 |
19.81 |
5.35 |
-8.39 |
-0.33 |
0 |
|
|
360174 |
127300790 |
1 |
ON4C22H28 |
AB4C22D28 |
5.21 |
6.29 |
-9.02 |
-0.37 |
0 |
|
|
360175 |
127300816 |
1 |
ON5C23H27 |
AB5C23D27 |
33.47 |
5.07 |
-9.01 |
-0.71 |
0 |
|
|
360176 |
127300817 |
1 |
O3N6C17H22 |
A3B6C17D22 |
-75.25 |
0.43 |
-8.8 |
-0.78 |
0 |
|
|
360177 |
127300818 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-58.07 |
5.68 |
-8.56 |
-0.24 |
0 |
|
|
360178 |
127300819 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-69.97 |
5.4 |
-8.52 |
-0.21 |
0 |
|
|
360179 |
127300820 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-73.3 |
4.72 |
-8.51 |
-0.62 |
0 |
|
|
360180 |
127300823 |
1 |
O2N6C17H30 |
A2B6C17D30 |
-44.9 |
4.56 |
-8.64 |
-0.01 |
0 |
|
|
360181 |
127300824 |
1 |
O3N4C20H36 |
A3B4C20D36 |
-155.65 |
6.11 |
-8.63 |
0.74 |
0 |
|
|
360182 |
127300825 |
1 |
O3N4C20H36 |
A3B4C20D36 |
-153.76 |
9.15 |
-8.62 |
0.76 |
0 |
|
|
360183 |
127300826 |
1 |
O3N4C21H38 |
A3B4C21D38 |
-158.37 |
0.84 |
-8.49 |
0.78 |
0 |
|
|
360184 |
127300827 |
1 |
SN3O4C17H31 |
AB3C4D17E31 |
-185.27 |
5.83 |
-8.68 |
0.37 |
0 |
|
|
360185 |
127300828 |
1 |
O3N4C20H32 |
A3B4C20D32 |
-83.76 |
6.49 |
-8.55 |
-0.12 |
0 |
|
|
360186 |
127300829 |
1 |
O3N4C20H36 |
A3B4C20D36 |
-142.38 |
1.74 |
-8.53 |
0.46 |
0 |
|
|
360187 |
127300830 |
1 |
O3N4C19H34 |
A3B4C19D34 |
-146.7 |
6.09 |
-8.85 |
0.64 |
0 |