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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71652 |
48415159 |
1 |
ClN2O3C20H27 |
AB2C3D20E27 |
-63.79 |
4.62 |
-8.81 |
-0.46 |
0 |
|
|
71653 |
48415160 |
1 |
O2N3C19H21 |
A2B3C19D21 |
24.45 |
3.36 |
-8.68 |
-0.77 |
0 |
|
|
71654 |
48415161 |
1 |
O3N4C21H28 |
A3B4C21D28 |
12.57 |
9.59 |
-8.96 |
-1.04 |
0 |
|
|
71655 |
48415162 |
1 |
SO2N3H19C20 |
AB2C3D19E20 |
59.72 |
3.53 |
-9.01 |
-1.42 |
0 |
|
|
71656 |
48415164 |
1 |
SN2O3C17H22 |
AB2C3D17E22 |
-54.62 |
5.73 |
-8.75 |
-0.29 |
0 |
|
|
71657 |
48415165 |
1 |
ClON4C20H23 |
ABC4D20E23 |
65.45 |
4.25 |
-8.77 |
-0.22 |
0 |
|
|
71658 |
48415166 |
1 |
ClON4C19H21 |
ABC4D19E21 |
73.02 |
4.89 |
-8.85 |
-0.7 |
0 |
|
|
71659 |
48415167 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-77.65 |
2.96 |
-9.31 |
-1.73 |
0 |
|
|
71660 |
48415168 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-35.84 |
1.96 |
-8.75 |
-1.4 |
0 |
|
|
71661 |
48415169 |
1 |
O3N4C20H26 |
A3B4C20D26 |
26.78 |
3.88 |
-9.01 |
-0.69 |
0 |
|
|
71662 |
48415171 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-1.67 |
3.31 |
-8.99 |
-0.98 |
0 |
|
|
71663 |
48415172 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-4.48 |
6.7 |
-8.85 |
-0.14 |
0 |
|
|
71664 |
48415173 |
1 |
ClOSN2C17H21 |
ABCD2E17F21 |
17.58 |
2.98 |
-8.97 |
-0.36 |
0 |
|
|
71665 |
48415174 |
1 |
OSN2C18H24 |
ABC2D18E24 |
20.95 |
5.06 |
-8.88 |
-0.28 |
0 |
|
|
71666 |
48415175 |
1 |
ClOSN2C17H21 |
ABCD2E17F21 |
17.52 |
4.14 |
-8.96 |
-0.36 |
0 |
|
|
71667 |
48415176 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-41.92 |
2.72 |
-8.77 |
-0.32 |
0 |
|
|
71668 |
48415177 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-43.23 |
1.13 |
-9.0 |
-0.41 |
0 |
|
|
71669 |
48415178 |
2 |
ON2C10H12 |
AB2C10D12 |
18.59 |
2.85 |
-9.1 |
-0.92 |
0 |
|
|
71670 |
48415179 |
1 |
N2O2C17H18 |
A2B2C17D18 |
24.43 |
3.55 |
-8.93 |
-0.72 |
0 |
|
|
71671 |
48415180 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-28.59 |
1.83 |
-8.91 |
-0.23 |
0 |
|
|
71672 |
48415181 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-11.64 |
5.4 |
-9.08 |
0.2 |
0 |
|
|
71673 |
48415183 |
1 |
N3O3C15H17 |
A3B3C15D17 |
34.08 |
3.95 |
-9.17 |
-1.66 |
0 |
|
|
71674 |
48415185 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-37.91 |
5.14 |
-9.06 |
0.34 |
0 |
|
|
71675 |
48415186 |
1 |
OCl2N4C20H22 |
AB2C4D20E22 |
57.91 |
5.0 |
-8.79 |
-0.62 |
0 |
|
|
71676 |
48415187 |
1 |
SN3O4C21H29 |
AB3C4D21E29 |
-92.32 |
7.75 |
-9.02 |
-0.8 |
0 |
|
|
71677 |
48415189 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-67.98 |
8.77 |
-8.88 |
-0.29 |
0 |
|
|
71678 |
48415192 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-14.27 |
2.89 |
-9.01 |
0.18 |
0 |
|
|
71679 |
48415193 |
1 |
SN3O3C21H29 |
AB3C3D21E29 |
-59.16 |
2.67 |
-9.02 |
-0.91 |
0 |
|
|
71680 |
48415195 |
2 |
ON2C9H10 |
AB2C9D10 |
19.9 |
5.89 |
-9.07 |
-0.86 |
0 |
|
|
71681 |
48415196 |
1 |
ClON4C21H25 |
ABC4D21E25 |
57.02 |
3.66 |
-8.78 |
-0.12 |
0 |
|
|
71682 |
48415197 |
1 |
ClFON4C19H20 |
ABCD4E19F20 |
22.86 |
3.19 |
-8.83 |
-0.95 |
0 |
|
|
71683 |
48415199 |
1 |
BrN2O2C17H21 |
AB2C2D17E21 |
-1.43 |
5.2 |
-8.95 |
-0.06 |
0 |
|
|
71684 |
48415200 |
1 |
N2O2F3H19C20 |
A2B2C3D19E20 |
-126.5 |
3.82 |
-9.29 |
-1.31 |
0 |
|
|
71685 |
48415203 |
1 |
O3N4C18H22 |
A3B4C18D22 |
48.02 |
6.93 |
-8.89 |
-1.06 |
0 |
|
|
71686 |
48415204 |
1 |
OSN2C18H24 |
ABC2D18E24 |
15.06 |
4.51 |
-8.78 |
-0.35 |
0 |
|
|
71687 |
48415205 |
1 |
ON5C17H21 |
AB5C17D21 |
85.83 |
4.67 |
-8.98 |
-0.87 |
0 |
|
|
71688 |
48415206 |
1 |
OSN2C17H22 |
ABC2D17E22 |
30.13 |
2.37 |
-8.88 |
-0.31 |
0 |
|
|
71689 |
48415207 |
1 |
O2N4C23H24 |
A2B4C23D24 |
69.28 |
3.33 |
-8.61 |
-0.82 |
0 |
|
|
71690 |
48415209 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-43.9 |
5.06 |
-8.64 |
-0.22 |
0 |
|
|
71691 |
48415210 |
1 |
O3N4C16H20 |
A3B4C16D20 |
23.21 |
8.07 |
-8.89 |
-1.21 |
0 |
|
|
71692 |
48415212 |
1 |
ClN2O3C19H25 |
AB2C3D19E25 |
-55.51 |
5.22 |
-8.96 |
-0.65 |
0 |
|
|
71693 |
48415213 |
1 |
ClN2O3C21H29 |
AB2C3D21E29 |
-69.1 |
5.57 |
-8.95 |
-0.62 |
0 |
|
|
71694 |
48415214 |
1 |
SO2N3C19H25 |
AB2C3D19E25 |
-23.08 |
4.45 |
-8.77 |
-0.47 |
0 |
|
|
71695 |
48415216 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-87.38 |
2.97 |
-8.97 |
0.01 |
0 |
|
|
71696 |
48415219 |
1 |
SN2O3C16H20 |
AB2C3D16E20 |
-47.85 |
2.76 |
-8.97 |
-0.87 |
0 |
|
|
71697 |
48415225 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-25.3 |
3.76 |
-8.83 |
-0.19 |
0 |
|
|
71698 |
48415229 |
2 |
ON2C9H14 |
AB2C9D14 |
-0.91 |
4.9 |
-8.91 |
0.0 |
0 |
|
|
71699 |
48415231 |
1 |
ClION2C15H16 |
ABCD2E15F16 |
44.9 |
3.08 |
-9.0 |
-1.39 |
0 |
|
|
71700 |
48415232 |
1 |
ClION2C15H16 |
ABCD2E15F16 |
45.13 |
3.51 |
-9.06 |
-1.39 |
0 |
|
|
71701 |
48415234 |
1 |
BrN2O2C17H17 |
AB2C2D17E17 |
44.05 |
5.21 |
-9.36 |
-1.03 |
0 |
|
|
71702 |
48415235 |
1 |
FO2N4C20H23 |
AB2C4D20E23 |
-1.06 |
1.83 |
-8.95 |
-1.0 |
0 |
|
|
71703 |
48415237 |
2 |
ON2C10H12 |
AB2C10D12 |
33.05 |
4.04 |
-9.02 |
-0.77 |
0 |
|
|
71704 |
48415238 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-46.52 |
3.76 |
-8.8 |
0.29 |
0 |
|
|
71705 |
48415239 |
1 |
OSN3C13H17 |
ABC3D13E17 |
40.22 |
2.52 |
-8.92 |
-0.97 |
0 |
|
|
71706 |
48415240 |
1 |
ON2C18H24 |
AB2C18D24 |
17.47 |
3.02 |
-8.82 |
0.21 |
0 |
|
|
71707 |
48415241 |
1 |
BrFON2C15H16 |
ABCD2E15F16 |
-8.05 |
3.03 |
-9.06 |
-0.93 |
0 |
|
|
71708 |
48415242 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-59.87 |
4.61 |
-8.26 |
-0.28 |
0 |
|
|
71709 |
48415243 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-33.38 |
5.89 |
-8.77 |
-0.93 |
0 |
|
|
71710 |
48415244 |
1 |
OSN2C12H20 |
ABC2D12E20 |
-3.12 |
1.91 |
-8.81 |
0.21 |
0 |
|
|
71711 |
48415245 |
1 |
OCl2N2C17H20 |
AB2C2D17E20 |
8.55 |
3.46 |
-8.96 |
-0.46 |
0 |
|
|
71712 |
48415247 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-41.65 |
4.73 |
-8.75 |
-0.27 |
0 |
|
|
71713 |
48415248 |
2 |
NOC11H13 |
ABC11D13 |
-1.0 |
2.38 |
-8.69 |
-0.5 |
0 |
|
|
71714 |
48415249 |
1 |
O2N5C18H21 |
A2B5C18D21 |
62.83 |
1.68 |
-9.06 |
-1.09 |
0 |
|
|
71715 |
48415252 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-65.39 |
6.43 |
-8.8 |
-0.5 |
0 |
|
|
71716 |
48415253 |
1 |
FO2N3C18H18 |
AB2C3D18E18 |
20.4 |
4.21 |
-9.13 |
-1.0 |
0 |
|
|
71717 |
48415254 |
1 |
ClON4C16H17 |
ABC4D16E17 |
64.61 |
2.84 |
-8.93 |
-1.0 |
0 |
|
|
71718 |
48415255 |
1 |
ClFO2N3C18H21 |
ABC2D3E18F21 |
-70.55 |
2.58 |
-9.01 |
-0.79 |
0 |
|
|
71719 |
48415256 |
1 |
ON5C23H31 |
AB5C23D31 |
66.88 |
3.07 |
-8.95 |
-0.62 |
0 |
|
|
71720 |
48415258 |
1 |
N2O4C21H28 |
A2B4C21D28 |
-102.62 |
9.31 |
-8.62 |
-0.35 |
0 |
|
|
71721 |
48415259 |
1 |
ON5C23H33 |
AB5C23D33 |
31.68 |
3.24 |
-8.9 |
-0.54 |
0 |
|
|
71722 |
48415260 |
1 |
F2N2O3C17H20 |
A2B2C3D17E20 |
-148.31 |
4.28 |
-8.83 |
-0.39 |
0 |
|
|
71723 |
48415262 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-47.43 |
4.18 |
-8.89 |
0.76 |
0 |
|
|
71724 |
48415263 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-39.55 |
4.95 |
-8.77 |
-0.3 |
0 |
|
|
71725 |
48415264 |
1 |
N3O4C21H21 |
A3B4C21D21 |
23.53 |
6.95 |
-9.09 |
-1.5 |
0 |
|
|
71726 |
48415265 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-20.08 |
9.85 |
-8.72 |
-0.47 |
0 |
|
|
71727 |
48415269 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-54.83 |
3.97 |
-8.97 |
0.85 |
0 |
|
|
71728 |
48415271 |
1 |
SO2N3C21H23 |
AB2C3D21E23 |
22.97 |
2.85 |
-8.91 |
-0.81 |
0 |
|
|
71729 |
48415272 |
1 |
O2F3N3C21H24 |
A2B3C3D21E24 |
-172.52 |
5.35 |
-9.21 |
-0.76 |
0 |
|
|
71730 |
48415273 |
1 |
ClO2F3N3C16H17 |
AB2C3D3E16F17 |
-161.82 |
5.13 |
-9.1 |
-1.06 |
0 |
|
|
71731 |
48415274 |
1 |
OF2N2C17H20 |
AB2C2D17E20 |
-69.63 |
2.35 |
-8.99 |
-0.43 |
0 |
|
|
71732 |
48415279 |
1 |
Cl2O2N3C20H23 |
A2B2C3D20E23 |
-23.14 |
6.6 |
-9.21 |
-0.82 |
0 |
|
|
71733 |
48415281 |
1 |
SO3N4C19H22 |
AB3C4D19E22 |
-14.22 |
6.28 |
-8.68 |
-0.75 |
0 |
|
|
71734 |
48415283 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-23.2 |
6.45 |
-9.04 |
0.24 |
0 |
|
|
71735 |
48415285 |
1 |
ON4C18H22 |
AB4C18D22 |
58.91 |
4.14 |
-9.17 |
-0.38 |
0 |
|
|
71736 |
48415289 |
1 |
FOSN2C19H19 |
ABCD2E19F19 |
15.66 |
3.49 |
-8.87 |
-0.87 |
0 |
|
|
71737 |
48415292 |
1 |
ON3C20H23 |
AB3C20D23 |
59.3 |
4.4 |
-8.67 |
-0.29 |
0 |
|
|
71738 |
48415293 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-49.14 |
5.53 |
-8.94 |
-0.83 |
0 |
|
|
71739 |
48415294 |
1 |
N2O2F3C17H19 |
A2B2C3D17E19 |
-167.06 |
1.59 |
-9.03 |
-0.66 |
0 |
|
|
71740 |
48415297 |
1 |
F2O2N3C19H21 |
A2B2C3D19E21 |
-98.81 |
5.79 |
-9.04 |
-0.42 |
0 |
|
|
71741 |
48415299 |
1 |
ClON4C18H19 |
ABC4D18E19 |
70.33 |
1.9 |
-9.03 |
-0.48 |
0 |
|
|
71742 |
48415301 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-39.49 |
3.26 |
-9.02 |
-0.72 |
0 |
|
|
71743 |
48415303 |
1 |
FON4C23H27 |
ABC4D23E27 |
2.93 |
5.54 |
-8.46 |
-0.49 |
0 |
|
|
71744 |
48415304 |
1 |
O2N3C23H25 |
A2B3C23D25 |
12.12 |
6.64 |
-8.61 |
-0.51 |
0 |
|
|
71745 |
48415305 |
1 |
O2N4C21H22 |
A2B4C21D22 |
31.46 |
5.58 |
-8.75 |
-1.07 |
0 |
|
|
71746 |
48415311 |
1 |
N3O3C19H21 |
A3B3C19D21 |
21.59 |
5.85 |
-8.8 |
-0.85 |
0 |
|
|
71747 |
48415312 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-18.1 |
3.64 |
-9.06 |
0.06 |
0 |
|
|
71748 |
48415313 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-48.33 |
5.96 |
-8.97 |
-0.24 |
0 |
|
|
71749 |
48415315 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-51.3 |
0.76 |
-9.04 |
0.6 |
0 |
|
|
71750 |
48415317 |
1 |
FON4C18H19 |
ABC4D18E19 |
39.2 |
3.96 |
-8.79 |
-0.98 |
0 |
|
|
71751 |
48415320 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-39.46 |
0.48 |
-9.01 |
-0.21 |
0 |