List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
353585 |
127285162 |
1 |
FO3N4C19H25 |
AB3C4D19E25 |
-170.04 |
4.4 |
-9.53 |
-0.17 |
0 |
|
|
353586 |
127285163 |
1 |
O3N6C20H26 |
A3B6C20D26 |
-50.1 |
3.21 |
-9.24 |
-1.05 |
0 |
|
|
353587 |
127285164 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-104.02 |
4.09 |
-9.32 |
-1.25 |
0 |
|
|
353588 |
127285165 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-161.9 |
2.8 |
-8.7 |
-0.42 |
0 |
|
|
353589 |
127285166 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-158.6 |
8.93 |
-9.26 |
0.82 |
0 |
|
|
353590 |
127285167 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-163.21 |
4.66 |
-8.92 |
-0.16 |
0 |
|
|
353591 |
127285168 |
1 |
SN3O3C20H33 |
AB3C3D20E33 |
-165.63 |
10.39 |
-8.77 |
0.09 |
0 |
|
|
353592 |
127285169 |
1 |
SN3O3C18H29 |
AB3C3D18E29 |
-157.73 |
6.12 |
-9.05 |
-0.13 |
0 |
|
|
353593 |
127285170 |
2 |
ON3C9H11 |
AB3C9D11 |
5.0 |
2.92 |
-9.62 |
-1.34 |
0 |
|
|
353594 |
127285171 |
1 |
S2N3O4C15H21 |
A2B3C4D15E21 |
-138.44 |
8.1 |
-9.54 |
-1.11 |
0 |
|
|
353595 |
127285172 |
1 |
SO2N6C15H18 |
AB2C6D15E18 |
18.56 |
4.94 |
-9.71 |
-1.63 |
0 |
|
|
353596 |
127285173 |
2 |
ON2C10H12 |
AB2C10D12 |
-36.5 |
8.71 |
-9.41 |
-0.64 |
0 |
|
|
353597 |
127285174 |
1 |
SN2O4C16H26 |
AB2C4D16E26 |
-190.73 |
6.47 |
-9.54 |
0.62 |
0 |
|
|
353598 |
127285175 |
1 |
SO2N5C18H21 |
AB2C5D18E21 |
-18.61 |
4.14 |
-9.46 |
-1.27 |
0 |
|
|
353599 |
127285176 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-36.82 |
7.16 |
-9.4 |
-0.46 |
0 |
|
|
353600 |
127285177 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-117.08 |
7.82 |
-9.03 |
-0.19 |
0 |
|
|
353601 |
127285178 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-45.2 |
5.23 |
-9.4 |
-0.84 |
0 |
|
|
353602 |
127285179 |
1 |
SO2N4C18H28 |
AB2C4D18E28 |
-85.39 |
3.69 |
-8.17 |
0.39 |
0 |
|
|
353603 |
127285180 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-124.85 |
6.73 |
-9.04 |
1.15 |
0 |
|
|
353604 |
127285181 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-202.49 |
9.6 |
-9.16 |
-0.32 |
0 |
|
|
353605 |
127285182 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-209.58 |
8.92 |
-9.2 |
-0.17 |
0 |
|
|
353606 |
127285183 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-207.86 |
3.72 |
-9.38 |
-0.25 |
0 |
|
|
353607 |
127285184 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-137.23 |
4.12 |
-9.44 |
-1.01 |
0 |
|
|
353608 |
127285185 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-102.82 |
6.32 |
-9.38 |
-0.92 |
0 |
|
|
353609 |
127285186 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-154.59 |
3.98 |
-9.28 |
-1.04 |
0 |
|
|
353610 |
127285187 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-127.12 |
7.88 |
-8.8 |
-0.64 |
0 |
|
|
353611 |
127285188 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-159.71 |
8.17 |
-9.33 |
-0.86 |
0 |
|
|
353612 |
127285189 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-162.47 |
10.22 |
-9.01 |
-0.23 |
0 |
|
|
353613 |
127285190 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-167.66 |
6.15 |
-8.66 |
0.09 |
0 |
|
|
353614 |
127285191 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-161.08 |
4.14 |
-9.18 |
-0.42 |
0 |
|
|
353615 |
127285192 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-68.32 |
5.74 |
-9.56 |
-1.24 |
0 |
|
|
353616 |
127285193 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-170.43 |
3.35 |
-8.76 |
-0.45 |
0 |
|
|
353617 |
127285194 |
1 |
O4N5C18H23 |
A4B5C18D23 |
-154.89 |
3.11 |
-9.51 |
-1.38 |
0 |
|
|
353618 |
127285195 |
1 |
SO2N6C16H26 |
AB2C6D16E26 |
-43.13 |
6.66 |
-9.29 |
-1.01 |
0 |
|
|
353619 |
127285196 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-172.97 |
9.14 |
-9.22 |
-0.51 |
0 |
|
|
353620 |
127285197 |
1 |
SN3O3C17H29 |
AB3C3D17E29 |
-168.34 |
6.25 |
-9.02 |
0.07 |
0 |
|
|
353621 |
127285198 |
1 |
O2N6C21H30 |
A2B6C21D30 |
-53.24 |
9.71 |
-9.11 |
-0.89 |
0 |
|
|
353622 |
127285199 |
2 |
N2O2C9H11 |
A2B2C9D11 |
-167.15 |
3.58 |
-9.36 |
-1.2 |
0 |
|
|
353623 |
127285200 |
1 |
O3N5C19H21 |
A3B5C19D21 |
-52.39 |
10.68 |
-9.14 |
-1.49 |
0 |
|
|
353624 |
127285201 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-43.21 |
3.0 |
-9.52 |
-1.36 |
0 |
|
|
353625 |
127285202 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-43.64 |
4.16 |
-9.4 |
-0.53 |
0 |
|
|
353626 |
127285203 |
1 |
SO2N6C15H24 |
AB2C6D15E24 |
-13.44 |
4.16 |
-9.48 |
-1.05 |
0 |
|
|
353627 |
127285204 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-83.7 |
7.76 |
-8.63 |
-0.25 |
0 |
|
|
353628 |
127285205 |
1 |
SN2O3C16H28 |
AB2C3D16E28 |
-170.4 |
3.79 |
-9.07 |
-0.09 |
0 |
|
|
353629 |
127285206 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-75.33 |
4.54 |
-8.77 |
-0.71 |
0 |
|
|
353630 |
127285207 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-106.08 |
4.21 |
-8.72 |
-0.26 |
0 |
|
|
353631 |
127285208 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-84.75 |
2.84 |
-8.6 |
-0.68 |
0 |
|
|
353632 |
127285209 |
1 |
OSN5C11H15 |
ABC5D11E15 |
34.05 |
5.78 |
-8.47 |
-0.5 |
0 |
|
|
353633 |
127285210 |
2 |
ON3C8H12 |
AB3C8D12 |
-11.06 |
5.81 |
-8.61 |
-1.2 |
0 |
|
|
353634 |
127285211 |
1 |
FON4C16H25 |
ABC4D16E25 |
-75.46 |
3.6 |
-8.87 |
0.0 |
0 |
|
|
353635 |
127285212 |
1 |
ON4C16H26 |
AB4C16D26 |
-37.81 |
1.01 |
-8.77 |
0.23 |
0 |
|
|
353636 |
127285213 |
1 |
OSN4C19H26 |
ABC4D19E26 |
0.04 |
4.76 |
-8.46 |
-0.66 |
0 |
|
|
353637 |
127285214 |
1 |
OSN4C20H28 |
ABC4D20E28 |
-12.15 |
3.46 |
-8.32 |
-0.49 |
0 |
|
|
353638 |
127285215 |
1 |
OSN4C20H28 |
ABC4D20E28 |
-16.38 |
4.28 |
-8.41 |
-0.52 |
0 |
|
|
353639 |
127285216 |
1 |
ON6C20H22 |
AB6C20D22 |
54.85 |
3.4 |
-8.71 |
-0.69 |
0 |
|
|
353640 |
127285217 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-92.17 |
2.52 |
-9.64 |
-1.16 |
0 |
|
|
353641 |
127285218 |
1 |
O3N6C15H22 |
A3B6C15D22 |
-110.81 |
4.71 |
-8.87 |
-0.52 |
0 |
|
|
353642 |
127285219 |
1 |
OSN4C21H28 |
ABC4D21E28 |
-8.77 |
3.06 |
-8.4 |
-0.49 |
0 |
|
|
353643 |
127285220 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-81.05 |
4.79 |
-8.46 |
-0.2 |
0 |
|
|
353644 |
127285221 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-88.61 |
4.99 |
-8.99 |
-0.65 |
0 |
|
|
353645 |
127285222 |
2 |
ON2C9H15 |
AB2C9D15 |
-65.97 |
3.84 |
-8.94 |
0.55 |
0 |
|
|
353646 |
127285223 |
1 |
O2N5C21H37 |
A2B5C21D37 |
-102.64 |
4.4 |
-8.86 |
1.03 |
0 |
|
|
353647 |
127285224 |
1 |
O2N6C15H24 |
A2B6C15D24 |
-1.76 |
5.28 |
-8.79 |
-0.24 |
0 |
|
|
353648 |
127285225 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-155.44 |
7.73 |
-9.19 |
0.96 |
0 |
|
|
353649 |
127285226 |
1 |
O3N4C21H36 |
A3B4C21D36 |
-168.84 |
5.61 |
-9.19 |
0.85 |
0 |
|
|
353650 |
127285227 |
1 |
O2N3C19H33 |
A2B3C19D33 |
-98.34 |
5.36 |
-8.99 |
1.18 |
0 |
|
|
353651 |
127285228 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-149.5 |
5.65 |
-9.16 |
0.59 |
0 |
|
|
353652 |
127285229 |
1 |
SN4O4C17H30 |
AB4C4D17E30 |
-182.28 |
3.99 |
-9.27 |
0.38 |
0 |
|
|
353653 |
127285230 |
1 |
O3N4C15H24 |
A3B4C15D24 |
-82.52 |
3.38 |
-9.32 |
-0.44 |
0 |
|
|
353654 |
127285231 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-72.66 |
3.66 |
-9.3 |
0.85 |
0 |
|
|
353655 |
127285232 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-93.55 |
6.82 |
-8.86 |
0.95 |
0 |
|
|
353656 |
127285233 |
2 |
ON2C8H14 |
AB2C8D14 |
-85.23 |
4.14 |
-9.02 |
0.85 |
0 |
|
|
353657 |
127285234 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-47.54 |
7.4 |
-8.34 |
0.24 |
0 |
|
|
353658 |
127285235 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-87.24 |
4.77 |
-9.43 |
0.26 |
0 |
|
|
353659 |
127285236 |
1 |
FO2N3C19H26 |
AB2C3D19E26 |
-127.99 |
3.89 |
-9.44 |
-0.25 |
0 |
|
|
353660 |
127285237 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-63.08 |
4.06 |
-9.44 |
0.19 |
0 |
|
|
353661 |
127285238 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-116.93 |
4.95 |
-9.46 |
-0.05 |
0 |
|
|
353662 |
127285239 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-143.51 |
2.41 |
-9.28 |
0.78 |
0 |
|
|
353663 |
127285240 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-159.67 |
4.86 |
-9.32 |
0.76 |
0 |
|
|
353664 |
127285241 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-145.98 |
7.11 |
-9.17 |
0.9 |
0 |
|
|
353665 |
127285242 |
1 |
O3N4C15H24 |
A3B4C15D24 |
-112.29 |
4.33 |
-9.35 |
0.52 |
0 |
|
|
353666 |
127285243 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-159.54 |
6.76 |
-9.24 |
0.75 |
0 |
|
|
353667 |
127285244 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-152.01 |
4.45 |
-9.41 |
0.64 |
0 |
|
|
353668 |
127285245 |
1 |
ON2C11H20 |
AB2C11D20 |
-63.39 |
4.33 |
-8.97 |
1.17 |
0 |
|
|
353669 |
127285246 |
1 |
O3N6C16H22 |
A3B6C16D22 |
-58.71 |
5.52 |
-9.07 |
-0.52 |
0 |
|
|
353670 |
127285247 |
1 |
O2N3C10H17 |
A2B3C10D17 |
-74.46 |
4.03 |
-9.34 |
0.52 |
0 |
|
|
353671 |
127285248 |
1 |
O2N6C15H22 |
A2B6C15D22 |
-34.23 |
2.58 |
-8.99 |
-0.54 |
0 |
|
|
353672 |
127285249 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-111.19 |
5.66 |
-9.48 |
-0.5 |
0 |
|
|
353673 |
127285250 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-94.38 |
5.17 |
-9.11 |
0.32 |
0 |
|
|
353674 |
127285251 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-52.08 |
4.69 |
-9.41 |
0.05 |
0 |
|
|
353675 |
127285252 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-64.49 |
3.99 |
-9.42 |
0.84 |
0 |
|
|
353676 |
127285253 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-79.92 |
4.66 |
-9.39 |
0.14 |
0 |
|
|
353677 |
127285254 |
1 |
SN5O5C16H25 |
AB5C5D16E25 |
-163.44 |
2.13 |
-9.22 |
-0.65 |
0 |
|
|
353678 |
127285255 |
1 |
SO3N4C16H22 |
AB3C4D16E22 |
-94.2 |
4.57 |
-9.38 |
-0.87 |
0 |
|
|
353679 |
127285256 |
1 |
SN3O4C17H29 |
AB3C4D17E29 |
-192.98 |
11.84 |
-9.39 |
0.51 |
0 |
|
|
353680 |
127285257 |
1 |
FSN4O4C17H23 |
ABC4D4E17F23 |
-183.47 |
4.89 |
-9.39 |
-1.13 |
0 |
|
|
353681 |
127285258 |
1 |
SN4O4C15H26 |
AB4C4D15E26 |
-171.57 |
2.89 |
-9.38 |
0.47 |
0 |
|
|
353682 |
127285259 |
1 |
FSN4O4C17H23 |
ABC4D4E17F23 |
-184.82 |
6.45 |
-9.32 |
-1.06 |
0 |
|
|
353683 |
127285260 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-112.07 |
3.98 |
-9.04 |
0.8 |
0 |
|
|
353684 |
127285261 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-153.48 |
5.54 |
-9.23 |
-0.77 |
0 |