List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
333181 |
127251729 |
1 |
FO2N4C23H25 |
AB2C4D23E25 |
-44.36 |
5.35 |
-8.79 |
-0.09 |
0 |
|
|
333182 |
127251730 |
1 |
FO2N4C23H25 |
AB2C4D23E25 |
-45.5 |
2.43 |
-8.82 |
-0.13 |
0 |
|
|
333183 |
127251731 |
1 |
ON4C18H24 |
AB4C18D24 |
15.69 |
4.32 |
-9.18 |
0.16 |
0 |
|
|
333184 |
127251732 |
2 |
ON2C12H14 |
AB2C12D14 |
-3.15 |
3.82 |
-8.78 |
0.09 |
0 |
|
|
333185 |
127251733 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-45.21 |
4.65 |
-8.74 |
0.27 |
0 |
|
|
333186 |
127251734 |
1 |
FS2O3N5H16C17 |
AB2C3D5E16F17 |
-67.04 |
11.26 |
-8.67 |
-1.27 |
0 |
|
|
333187 |
127251735 |
1 |
S2O3N6C15H22 |
A2B3C6D15E22 |
-57.35 |
5.0 |
-8.88 |
-0.82 |
0 |
|
|
333188 |
127251736 |
1 |
O3N5C23H25 |
A3B5C23D25 |
-35.71 |
1.98 |
-8.84 |
-0.4 |
0 |
|
|
333189 |
127251737 |
1 |
FS2O3N5C18H18 |
AB2C3D5E18F18 |
-71.92 |
10.83 |
-8.8 |
-1.18 |
0 |
|
|
333190 |
127251738 |
1 |
ON6C20H26 |
AB6C20D26 |
36.55 |
5.04 |
-9.04 |
-0.32 |
0 |
|
|
333191 |
127251739 |
2 |
ON3C11H14 |
AB3C11D14 |
12.14 |
4.61 |
-8.76 |
0.26 |
0 |
|
|
333192 |
127251740 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-70.78 |
3.77 |
-8.82 |
0.04 |
0 |
|
|
333193 |
127251741 |
1 |
S2O4N5C19H21 |
A2B4C5D19E21 |
-68.31 |
7.98 |
-8.81 |
-0.76 |
0 |
|
|
333194 |
127251742 |
1 |
FS2O3N5C18H18 |
AB2C3D5E18F18 |
-75.82 |
5.29 |
-8.85 |
-1.05 |
0 |
|
|
333195 |
127251743 |
1 |
O2N6C23H30 |
A2B6C23D30 |
3.98 |
7.89 |
-9.02 |
-0.38 |
0 |
|
|
333196 |
127251744 |
2 |
ON2C11H15 |
AB2C11D15 |
-34.75 |
5.15 |
-8.68 |
0.17 |
0 |
|
|
333197 |
127251745 |
1 |
SO4N5C21H23 |
AB4C5D21E23 |
-57.71 |
10.55 |
-8.54 |
-0.51 |
0 |
|
|
333198 |
127251746 |
1 |
FO2N5C24H28 |
AB2C5D24E28 |
-55.9 |
3.56 |
-8.54 |
-0.55 |
0 |
|
|
333199 |
127251747 |
1 |
ON6C14H18 |
AB6C14D18 |
46.6 |
2.15 |
-8.81 |
-0.94 |
0 |
|
|
333200 |
127251748 |
1 |
FON6C19H19 |
ABC6D19E19 |
29.2 |
3.03 |
-8.95 |
-1.05 |
0 |
|
|
333201 |
127251749 |
1 |
ClON6C19H19 |
ABC6D19E19 |
66.25 |
3.39 |
-8.93 |
-1.04 |
0 |
|
|
333202 |
127251750 |
1 |
O2N6H18C19 |
A2B6C18D19 |
40.78 |
4.08 |
-9.19 |
-1.02 |
0 |
|
|
333203 |
127251751 |
1 |
O3N6C20H20 |
A3B6C20D20 |
0.01 |
3.49 |
-9.14 |
-0.96 |
0 |
|
|
333204 |
127251752 |
1 |
ON6C20H22 |
AB6C20D22 |
70.88 |
2.54 |
-8.92 |
-1.04 |
0 |
|
|
333205 |
127251753 |
2 |
ON3C10H11 |
AB3C10D11 |
36.53 |
2.47 |
-8.89 |
-0.96 |
0 |
|
|
333206 |
127251754 |
1 |
ON6C17H24 |
AB6C17D24 |
30.19 |
2.33 |
-8.72 |
-0.94 |
0 |
|
|
333207 |
127251755 |
2 |
ON3C8H10 |
AB3C8D10 |
-5.26 |
4.53 |
-9.24 |
-1.12 |
0 |
|
|
333208 |
127251756 |
1 |
O2N6C19H24 |
A2B6C19D24 |
-10.11 |
1.53 |
-9.05 |
-0.97 |
0 |
|
|
333209 |
127251757 |
1 |
SO3N6C18H18 |
AB3C6D18E18 |
2.54 |
6.22 |
-9.07 |
-0.9 |
0 |
|
|
333210 |
127251758 |
1 |
FSO3N6H17C18 |
ABC3D6E17F18 |
-46.05 |
4.77 |
-9.13 |
-0.96 |
0 |
|
|
333211 |
127251759 |
3 |
ON2C5H6 |
AB2C5D6 |
-29.66 |
3.01 |
-9.2 |
-1.04 |
0 |
|
|
333212 |
127251760 |
1 |
ON6C16H20 |
AB6C16D20 |
66.51 |
2.15 |
-8.88 |
-0.97 |
0 |
|
|
333213 |
127251761 |
1 |
ON6C19H26 |
AB6C19D26 |
30.2 |
2.6 |
-8.73 |
-0.95 |
0 |
|
|
333214 |
127251762 |
2 |
ON3C10H13 |
AB3C10D13 |
-15.4 |
2.23 |
-9.07 |
-0.97 |
0 |
|
|
333215 |
127251763 |
1 |
ON6C20H22 |
AB6C20D22 |
69.09 |
2.4 |
-8.85 |
-0.99 |
0 |
|
|
333216 |
127251764 |
1 |
ON6C20H22 |
AB6C20D22 |
68.05 |
2.5 |
-8.87 |
-0.94 |
0 |
|
|
333217 |
127251765 |
1 |
ClSO3N6H17C18 |
ABC3D6E17F18 |
-1.54 |
5.84 |
-8.89 |
-0.95 |
0 |
|
|
333218 |
127251766 |
1 |
FO2N6H19C20 |
AB2C6D19E20 |
-15.57 |
3.22 |
-9.24 |
-1.11 |
0 |
|
|
333219 |
127251767 |
2 |
ON3C9H11 |
AB3C9D11 |
-3.85 |
1.82 |
-9.06 |
-0.98 |
0 |
|
|
333220 |
127251768 |
1 |
FSO3N6C19H19 |
ABC3D6E19F19 |
-48.57 |
4.97 |
-9.15 |
-1.01 |
0 |
|
|
333221 |
127251769 |
1 |
O3N6C14H16 |
A3B6C14D16 |
-34.08 |
2.84 |
-9.0 |
-0.96 |
0 |
|
|
333222 |
127251770 |
1 |
O3N6C16H20 |
A3B6C16D20 |
-48.08 |
4.54 |
-9.15 |
-1.01 |
0 |
|
|
333223 |
127251771 |
3 |
ON2C7H8 |
AB2C7D8 |
-2.49 |
2.59 |
-8.76 |
-0.99 |
0 |
|
|
333224 |
127251772 |
1 |
O2N6C23H26 |
A2B6C23D26 |
26.2 |
4.07 |
-8.42 |
-0.9 |
0 |
|
|
333225 |
127251773 |
1 |
O3N6C22H24 |
A3B6C22D24 |
-10.77 |
1.18 |
-8.96 |
-0.99 |
0 |
|
|
333226 |
127251774 |
1 |
FSO3N6C19H19 |
ABC3D6E19F19 |
-58.33 |
3.83 |
-9.07 |
-0.97 |
0 |
|
|
333227 |
127251775 |
1 |
FO2N6C22H23 |
AB2C6D22E23 |
-25.77 |
4.06 |
-9.22 |
-1.07 |
0 |
|
|
333228 |
127251776 |
1 |
SO3N6C20H22 |
AB3C6D20E22 |
-14.19 |
5.29 |
-9.07 |
-1.0 |
0 |
|
|
333229 |
127251777 |
1 |
O3N6C21H22 |
A3B6C21D22 |
-6.89 |
1.83 |
-9.12 |
-0.98 |
0 |
|
|
333230 |
127251778 |
1 |
FSO3N6C19H19 |
ABC3D6E19F19 |
-53.97 |
3.8 |
-9.04 |
-0.95 |
0 |
|
|
333231 |
127251779 |
1 |
SO3N6C20H22 |
AB3C6D20E22 |
-11.73 |
5.55 |
-9.09 |
-0.96 |
0 |
|
|
333232 |
127251781 |
1 |
ON7H21C22 |
AB7C21D22 |
105.2 |
1.7 |
-9.04 |
-1.08 |
0 |
|
|
333233 |
127251782 |
1 |
ON6C21H24 |
AB6C21D24 |
59.71 |
2.64 |
-8.82 |
-0.98 |
0 |
|
|
333234 |
127251783 |
1 |
O2N6C23H28 |
A2B6C23D28 |
12.84 |
2.77 |
-8.44 |
-0.97 |
0 |
|
|
333235 |
127251784 |
1 |
FO2N6C23H25 |
AB2C6D23E25 |
-35.75 |
5.28 |
-9.27 |
-1.17 |
0 |
|
|
333236 |
127251785 |
1 |
FO2N6C22H23 |
AB2C6D22E23 |
-22.79 |
2.5 |
-9.14 |
-0.96 |
0 |
|
|
333237 |
127251786 |
1 |
SO3N6C21H24 |
AB3C6D21E24 |
-13.01 |
5.11 |
-8.88 |
-0.8 |
0 |
|
|
333238 |
127251787 |
1 |
ON5C20H25 |
AB5C20D25 |
17.02 |
7.37 |
-8.95 |
-0.19 |
0 |
|
|
333239 |
127251788 |
1 |
O2N5C21H25 |
A2B5C21D25 |
-34.42 |
5.06 |
-9.36 |
-0.51 |
0 |
|
|
333240 |
127251789 |
1 |
O3N5C22H27 |
A3B5C22D27 |
-76.61 |
4.42 |
-9.26 |
-0.45 |
0 |
|
|
333241 |
127251790 |
1 |
O3N6C23H30 |
A3B6C23D30 |
-76.71 |
7.54 |
-8.35 |
-0.19 |
0 |
|
|
333242 |
127251791 |
1 |
O3N6C23H30 |
A3B6C23D30 |
-74.05 |
5.39 |
-8.48 |
-0.09 |
0 |
|
|
333243 |
127251792 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-39.74 |
9.29 |
-8.79 |
-0.11 |
0 |
|
|
333244 |
127251793 |
2 |
ON3C11H17 |
AB3C11D17 |
-76.55 |
6.47 |
-9.19 |
-0.36 |
0 |
|
|
333245 |
127251794 |
1 |
FO2N6C22H27 |
AB2C6D22E27 |
-79.35 |
6.03 |
-9.02 |
-0.4 |
0 |
|
|
333246 |
127251795 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-35.13 |
5.72 |
-8.98 |
-0.23 |
0 |
|
|
333247 |
127251796 |
1 |
O3N5C22H27 |
A3B5C22D27 |
-57.0 |
6.96 |
-8.78 |
-0.16 |
0 |
|
|
333248 |
127251797 |
1 |
O4N5C23H27 |
A4B5C23D27 |
-109.66 |
7.8 |
-9.1 |
-0.42 |
0 |
|
|
333249 |
127251798 |
1 |
O3N5C22H27 |
A3B5C22D27 |
-72.91 |
5.48 |
-9.09 |
-0.34 |
0 |
|
|
333250 |
127251799 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-63.45 |
7.09 |
-8.79 |
-0.14 |
0 |
|
|
333251 |
127251800 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-19.69 |
6.28 |
-8.86 |
-0.42 |
0 |
|
|
333252 |
127251801 |
1 |
SO3N5C20H25 |
AB3C5D20E25 |
-70.04 |
3.75 |
-9.18 |
-0.73 |
0 |
|
|
333253 |
127251802 |
1 |
SO2N6C18H30 |
AB2C6D18E30 |
-57.4 |
5.17 |
-8.93 |
-0.22 |
0 |
|
|
333254 |
127251803 |
1 |
SO3N6C19H30 |
AB3C6D19E30 |
-110.21 |
3.95 |
-9.32 |
-0.36 |
0 |
|
|
333255 |
127251804 |
1 |
SO3N6C19H30 |
AB3C6D19E30 |
-108.61 |
5.53 |
-9.24 |
-0.39 |
0 |