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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
74552 |
48422075 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-37.73 |
1.31 |
-8.8 |
-0.42 |
0 |
|
|
74553 |
48422077 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-36.67 |
3.65 |
-9.0 |
-0.25 |
0 |
|
|
74554 |
48422079 |
1 |
NO2C15H29 |
AB2C15D29 |
-121.31 |
2.83 |
-9.63 |
1.08 |
0 |
|
|
74555 |
48422081 |
1 |
NO2C14H27 |
AB2C14D27 |
-115.63 |
3.2 |
-9.61 |
1.14 |
0 |
|
|
74556 |
48422083 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-75.31 |
2.08 |
-8.87 |
-0.11 |
0 |
|
|
74557 |
48422084 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-38.72 |
5.7 |
-8.82 |
-0.01 |
0 |
|
|
74558 |
48422085 |
1 |
SO2N3C18H29 |
AB2C3D18E29 |
-44.67 |
4.53 |
-8.4 |
-0.45 |
0 |
|
|
74559 |
48422086 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-127.28 |
2.32 |
-8.65 |
-0.14 |
0 |
|
|
74560 |
48422087 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-94.78 |
3.53 |
-8.82 |
1.22 |
0 |
|
|
74561 |
48422088 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-74.11 |
7.1 |
-8.93 |
0.04 |
0 |
|
|
74562 |
48422089 |
1 |
O2N3C15H29 |
A2B3C15D29 |
-86.44 |
3.35 |
-8.41 |
1.01 |
0 |
|
|
74563 |
48422090 |
1 |
N2F3O3C17H21 |
A2B3C3D17E21 |
-286.44 |
3.89 |
-9.59 |
0.09 |
0 |
|
|
74564 |
48422091 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-34.77 |
3.26 |
-9.58 |
-0.52 |
0 |
|
|
74565 |
48422092 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-3.26 |
3.27 |
-9.77 |
-0.4 |
0 |
|
|
74566 |
48422093 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-121.34 |
2.14 |
-8.97 |
0.09 |
0 |
|
|
74567 |
48422094 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-85.98 |
4.64 |
-8.96 |
1.07 |
0 |
|
|
74568 |
48422097 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-109.79 |
2.87 |
-8.79 |
0.32 |
0 |
|
|
74569 |
48422098 |
1 |
O2N3C15H29 |
A2B3C15D29 |
-73.15 |
2.81 |
-8.52 |
0.6 |
0 |
|
|
74570 |
48422100 |
1 |
N3O4C17H31 |
A3B4C17D31 |
-164.87 |
3.63 |
-9.15 |
0.66 |
0 |
|
|
74571 |
48422102 |
1 |
O2N3C14H27 |
A2B3C14D27 |
-81.12 |
3.17 |
-8.43 |
1.06 |
0 |
|
|
74572 |
48422105 |
3 |
NOC6H9 |
ABC6D9 |
-124.02 |
1.98 |
-8.6 |
0.13 |
0 |
|
|
74573 |
48422108 |
1 |
N2O5C19H24 |
A2B5C19D24 |
-171.05 |
2.23 |
-9.56 |
0.03 |
0 |
|
|
74574 |
48422109 |
2 |
NOC8H11 |
ABC8D11 |
-22.62 |
3.87 |
-9.35 |
-0.21 |
0 |
|
|
74575 |
48422111 |
1 |
NO4C15H27 |
AB4C15D27 |
-171.78 |
4.04 |
-9.67 |
0.86 |
0 |
|
|
74576 |
48422113 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-152.66 |
6.88 |
-8.91 |
0.19 |
0 |
|
|
74577 |
48422114 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-118.34 |
3.24 |
-8.88 |
0.72 |
0 |
|
|
74578 |
48422115 |
1 |
NO4C11H19 |
AB4C11D19 |
-168.22 |
4.64 |
-9.68 |
0.43 |
0 |
|
|
74579 |
48422118 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-101.83 |
1.86 |
-8.77 |
1.06 |
0 |
|
|
74580 |
48422119 |
1 |
N2O5C17H26 |
A2B5C17D26 |
-205.85 |
2.58 |
-9.48 |
0.14 |
0 |
|
|
74581 |
48422120 |
1 |
NO4C13H25 |
AB4C13D25 |
-171.75 |
3.08 |
-9.75 |
1.1 |
0 |
|
|
74582 |
48422121 |
1 |
N3O5C17H25 |
A3B5C17D25 |
-199.4 |
3.47 |
-9.55 |
0.13 |
0 |
|
|
74583 |
48422122 |
1 |
N2O4C13H24 |
A2B4C13D24 |
-168.27 |
3.34 |
-9.57 |
0.37 |
0 |
|
|
74584 |
48422123 |
3 |
NOC6H7 |
ABC6D7 |
-77.1 |
3.75 |
-9.57 |
-0.23 |
0 |
|
|
74585 |
48422124 |
2 |
NOC7H10 |
ABC7D10 |
-41.98 |
5.19 |
-9.49 |
-0.06 |
0 |
|
|
74586 |
48422128 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-50.08 |
4.63 |
-8.0 |
0.61 |
0 |
|
|
74587 |
48422129 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-87.63 |
3.83 |
-8.96 |
0.3 |
0 |
|
|
74588 |
48422131 |
2 |
NOC8H15 |
ABC8D15 |
-103.37 |
2.85 |
-8.8 |
1.05 |
0 |
|
|
74589 |
48422133 |
1 |
N2O4C17H30 |
A2B4C17D30 |
-165.24 |
3.67 |
-9.03 |
0.92 |
0 |
|
|
74590 |
48422135 |
3 |
NOC6H11 |
ABC6D11 |
-129.43 |
0.89 |
-9.08 |
0.89 |
0 |
|
|
74591 |
48422136 |
1 |
N4O4C21H32 |
A4B4C21D32 |
-169.44 |
3.29 |
-9.41 |
0.29 |
0 |
|
|
74592 |
48422137 |
1 |
N3O3C17H31 |
A3B3C17D31 |
-134.04 |
3.04 |
-9.19 |
0.92 |
0 |
|
|
74593 |
48422139 |
1 |
N3O4C20H31 |
A3B4C20D31 |
-177.88 |
3.62 |
-8.68 |
0.09 |
0 |
|
|
74594 |
48422140 |
1 |
N2O3C16H30 |
A2B3C16D30 |
-145.82 |
2.82 |
-8.88 |
1.0 |
0 |
|
|
74595 |
48422141 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-124.08 |
3.85 |
-8.76 |
0.14 |
0 |
|
|
74596 |
48422142 |
2 |
NOC6H12 |
ABC6D12 |
-85.62 |
5.44 |
-9.05 |
1.02 |
0 |
|
|
74597 |
48422143 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-161.13 |
2.69 |
-9.06 |
0.35 |
0 |
|
|
74598 |
48422145 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-85.49 |
4.41 |
-8.11 |
0.06 |
0 |
|
|
74599 |
48422148 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-101.5 |
2.44 |
-8.03 |
0.14 |
0 |
|
|
74600 |
48422150 |
1 |
N3O5C21H23 |
A3B5C21D23 |
-173.3 |
3.29 |
-8.96 |
-0.55 |
0 |
|
|
74601 |
48422153 |
1 |
N2F3O3C19H23 |
A2B3C3D19E23 |
-246.34 |
2.09 |
-9.3 |
-0.91 |
0 |
|
|
74602 |
48422154 |
1 |
ClSN2O3C17H19 |
ABC2D3E17F19 |
-97.14 |
2.4 |
-9.36 |
-0.56 |
0 |
|
|
74603 |
48422155 |
1 |
ClNSO2C13H18 |
ABCD2E13F18 |
-61.65 |
1.5 |
-9.45 |
-0.65 |
0 |
|
|
74604 |
48422156 |
2 |
NOC6H8 |
ABC6D8 |
-31.44 |
5.5 |
-9.28 |
-0.2 |
0 |
|
|
74605 |
48422160 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-145.31 |
2.19 |
-9.43 |
0.11 |
0 |
|
|
74606 |
48422162 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-37.76 |
2.79 |
-9.47 |
-0.32 |
0 |
|
|
74607 |
48422163 |
1 |
O2N4C17H22 |
A2B4C17D22 |
2.63 |
4.39 |
-9.8 |
-0.6 |
0 |
|
|
74608 |
48422165 |
2 |
NOC9H14 |
ABC9D14 |
-60.84 |
4.25 |
-9.06 |
0.34 |
0 |
|
|
74609 |
48422166 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-139.1 |
2.59 |
-8.62 |
0.14 |
0 |
|
|
74610 |
48422168 |
2 |
NOC9H14 |
ABC9D14 |
-66.34 |
4.17 |
-8.09 |
0.59 |
0 |
|
|
74611 |
48422169 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-57.6 |
3.86 |
-8.51 |
0.15 |
0 |
|
|
74612 |
48422170 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-62.72 |
4.71 |
-8.96 |
0.35 |
0 |
|
|
74613 |
48422171 |
2 |
NO2C9H13 |
AB2C9D13 |
-148.12 |
1.24 |
-9.54 |
0.18 |
0 |
|
|
74614 |
48422174 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-48.44 |
4.51 |
-9.61 |
-0.21 |
0 |
|
|
74615 |
48422178 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-115.53 |
4.25 |
-9.11 |
0.93 |
0 |
|
|
74616 |
48422179 |
1 |
SN2O3C18H26 |
AB2C3D18E26 |
-131.54 |
2.22 |
-8.85 |
0.26 |
0 |
|
|
74617 |
48422180 |
1 |
NSO2C14H25 |
ABC2D14E25 |
-98.78 |
2.34 |
-8.7 |
0.58 |
0 |
|
|
74618 |
48422181 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-126.27 |
5.41 |
-9.52 |
0.56 |
0 |
|
|
74619 |
48422182 |
1 |
NO3C17H25 |
AB3C17D25 |
-79.48 |
2.88 |
-8.88 |
0.44 |
0 |
|
|
74620 |
48422183 |
1 |
ClNSO2C15H20 |
ABCD2E15F20 |
-32.7 |
3.31 |
-9.55 |
-0.68 |
0 |
|
|
74621 |
48422186 |
1 |
NO2C13H23 |
AB2C13D23 |
-78.97 |
1.91 |
-9.4 |
0.74 |
0 |
|
|
74622 |
48422189 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-59.51 |
4.36 |
-9.62 |
-0.74 |
0 |
|
|
74623 |
48422190 |
2 |
NOC8H10 |
ABC8D10 |
-20.59 |
5.68 |
-9.6 |
-0.7 |
0 |
|
|
74624 |
48422193 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-76.98 |
3.18 |
-9.57 |
0.2 |
0 |
|
|
74625 |
48422194 |
1 |
N3O4C14H19 |
A3B4C14D19 |
-167.14 |
3.13 |
-9.89 |
-0.22 |
0 |
|
|
74626 |
48422195 |
1 |
N2O3C10H18 |
A2B3C10D18 |
-131.87 |
4.75 |
-9.86 |
0.62 |
0 |
|
|
74627 |
48422196 |
1 |
NO2C17H23 |
AB2C17D23 |
-37.1 |
4.16 |
-9.36 |
0.22 |
0 |
|
|
74628 |
48422197 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-110.16 |
4.25 |
-9.59 |
-0.11 |
0 |
|
|
74629 |
48422199 |
1 |
NF2O4C18H25 |
AB2C4D18E25 |
-246.62 |
1.94 |
-8.94 |
-0.36 |
0 |
|
|
74630 |
48422201 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-41.89 |
4.75 |
-9.6 |
0.64 |
0 |
|
|
74631 |
48422208 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-35.91 |
5.33 |
-9.24 |
0.62 |
0 |
|
|
74632 |
48422209 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-170.97 |
3.87 |
-9.51 |
0.13 |
0 |
|
|
74633 |
48422211 |
1 |
FNO2C14H18 |
ABC2D14E18 |
-110.75 |
5.15 |
-8.91 |
-0.17 |
0 |
|
|
74634 |
48422212 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-143.34 |
2.3 |
-9.41 |
0.1 |
0 |
|
|
74635 |
48422213 |
1 |
NO2C15H27 |
AB2C15D27 |
-107.77 |
2.98 |
-9.67 |
1.12 |
0 |
|
|
74636 |
48422215 |
1 |
NO2C12H23 |
AB2C12D23 |
-105.79 |
3.13 |
-9.66 |
1.15 |
0 |
|
|
74637 |
48422217 |
1 |
FNO2C14H18 |
ABC2D14E18 |
-111.28 |
4.44 |
-8.8 |
-0.09 |
0 |
|
|
74638 |
48422218 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-42.32 |
3.46 |
-8.35 |
0.11 |
0 |
|
|
74639 |
48422219 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-162.67 |
2.96 |
-8.55 |
-0.21 |
0 |
|
|
74640 |
48422221 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-47.76 |
7.5 |
-8.97 |
-0.55 |
0 |
|
|
74641 |
48422223 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-116.67 |
3.02 |
-8.91 |
0.16 |
0 |
|
|
74642 |
48422224 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-54.69 |
4.15 |
-9.64 |
-0.9 |
0 |
|
|
74643 |
48422225 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-171.33 |
6.52 |
-9.33 |
0.35 |
0 |
|
|
74644 |
48422227 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-102.45 |
3.29 |
-9.47 |
-0.01 |
0 |
|
|
74645 |
48422228 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-139.31 |
4.73 |
-9.14 |
-0.31 |
0 |
|
|
74646 |
48422230 |
1 |
BrN2O4C16H21 |
AB2C4D16E21 |
-114.42 |
3.14 |
-9.3 |
-0.26 |
0 |
|
|
74647 |
48422231 |
1 |
SN2O4C18H28 |
AB2C4D18E28 |
-152.9 |
4.76 |
-8.96 |
-0.46 |
0 |
|
|
74648 |
48422234 |
1 |
SN2O4C19H28 |
AB2C4D19E28 |
-146.27 |
6.92 |
-9.14 |
-0.57 |
0 |
|
|
74649 |
48422237 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-57.55 |
3.97 |
-9.07 |
-0.29 |
0 |
|
|
74650 |
48422240 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-112.54 |
5.22 |
-9.04 |
-0.25 |
0 |
|
|
74651 |
48422242 |
1 |
NCl2O2C15H19 |
AB2C2D15E19 |
-63.5 |
5.81 |
-9.45 |
-0.51 |
0 |