List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
418077 |
135103486 |
1 |
ON5C15H19 |
AB5C15D19 |
17.37 |
3.9 |
-8.72 |
-0.8 |
0 |
|
|
418078 |
135103487 |
1 |
N2S2O6C15H18 |
A2B2C6D15E18 |
-189.99 |
3.39 |
-9.82 |
-1.48 |
0 |
|
|
418079 |
135103488 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-102.34 |
3.18 |
-8.27 |
-0.44 |
0 |
|
|
418080 |
135103489 |
1 |
ON9C17H21 |
AB9C17D21 |
87.61 |
3.04 |
-9.02 |
-0.86 |
0 |
|
|
418081 |
135103490 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-76.56 |
5.28 |
-9.15 |
-0.13 |
0 |
|
|
418082 |
135103491 |
1 |
NO5C21H23 |
AB5C21D23 |
-179.58 |
5.92 |
-9.6 |
-0.64 |
0 |
|
|
418083 |
135103492 |
1 |
N2O3C24H26 |
A2B3C24D26 |
-70.11 |
5.73 |
-8.48 |
-0.13 |
0 |
|
|
418084 |
135103493 |
1 |
O5N9C27H31 |
A5B9C27D31 |
-51.85 |
14.26 |
-8.65 |
-1.96 |
0 |
|
|
418085 |
135103495 |
1 |
S2N3O3C15H23 |
A2B3C3D15E23 |
-109.97 |
4.22 |
-9.06 |
-0.51 |
0 |
|
|
418086 |
135103496 |
1 |
ClNO4C19H20 |
ABC4D19E20 |
-116.05 |
6.22 |
-9.13 |
-0.34 |
0 |
|
|
418087 |
135103497 |
1 |
FSN3O5C17H20 |
ABC3D5E17F20 |
-211.45 |
6.36 |
-8.9 |
-0.92 |
0 |
|
|
418088 |
135103498 |
1 |
FSN2O4C14H19 |
ABC2D4E14F19 |
-192.99 |
7.05 |
-9.79 |
-0.3 |
0 |
|
|
418089 |
135103499 |
1 |
N7O7C31H45 |
A7B7C31D45 |
-285.2 |
3.97 |
-8.6 |
-0.83 |
0 |
|
|
418090 |
135103500 |
3 |
NOC6H7 |
ABC6D7 |
-72.24 |
12.64 |
-9.11 |
-0.14 |
0 |
|
|
418091 |
135103501 |
1 |
NO2C21H31 |
AB2C21D31 |
-110.21 |
6.29 |
-8.99 |
0.6 |
0 |
|
|
418092 |
135103502 |
1 |
ON4C17H22 |
AB4C17D22 |
-1.4 |
0.7 |
-8.67 |
0.09 |
0 |
|
|
418093 |
135103503 |
1 |
F2O2N3C16H19 |
A2B2C3D16E19 |
-136.05 |
2.55 |
-9.34 |
-0.55 |
0 |
|
|
418094 |
135103504 |
1 |
NO2C20H27 |
AB2C20D27 |
-51.59 |
2.4 |
-8.33 |
0.19 |
0 |
|
|
418095 |
135103505 |
1 |
NO3C17H25 |
AB3C17D25 |
-135.49 |
3.32 |
-9.18 |
0.28 |
0 |
|
|
418096 |
135103506 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-81.64 |
3.35 |
-9.02 |
-1.21 |
0 |
|
|
418097 |
135103515 |
1 |
ON4C17H22 |
AB4C17D22 |
66.19 |
4.96 |
-9.07 |
-0.39 |
0 |
|
|
418098 |
135103529 |
1 |
ON4C22H28 |
AB4C22D28 |
19.2 |
2.39 |
-8.64 |
0.04 |
0 |
|
|
418099 |
135103581 |
1 |
N5O5C31H41 |
A5B5C31D41 |
-200.87 |
8.47 |
-9.46 |
-0.1 |
0 |
|
|
418100 |
135103586 |
1 |
O4N8C29H40 |
A4B8C29D40 |
-101.03 |
7.07 |
-8.62 |
-0.67 |
0 |
|
|
418102 |
135103588 |
1 |
O2N6C17H22 |
A2B6C17D22 |
17.12 |
11.46 |
-9.65 |
-1.01 |
0 |
|
|
418103 |
135103589 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-60.73 |
5.19 |
-8.84 |
-1.0 |
0 |
|
|
418104 |
135103590 |
1 |
ON4C18H20 |
AB4C18D20 |
24.81 |
7.31 |
-8.47 |
-0.85 |
0 |
|
|
418106 |
135103592 |
1 |
ClN2O4C14H15 |
AB2C4D14E15 |
-86.87 |
4.48 |
-9.68 |
-0.78 |
0 |
|
|
418107 |
135103593 |
2 |
N3O4C19H24 |
A3B4C19D24 |
-266.85 |
1.65 |
-9.0 |
-1.03 |
0 |
|
|
418108 |
135103594 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-71.69 |
6.0 |
-9.37 |
-0.54 |
0 |
|
|
418109 |
135103595 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-129.84 |
4.36 |
-9.2 |
-0.42 |
0 |
|
|
418110 |
135103596 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-18.83 |
2.88 |
-9.07 |
-0.1 |
0 |
|
|
418111 |
135103597 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-78.7 |
4.61 |
-9.03 |
-0.21 |
0 |
|
|
418112 |
135103598 |
1 |
NO4C14H19 |
AB4C14D19 |
-167.82 |
6.56 |
-9.15 |
-0.15 |
0 |
|
|
418113 |
135103599 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-115.64 |
2.59 |
-9.44 |
-1.05 |
0 |
|
|
418114 |
135103600 |
1 |
OF3N5C20H22 |
AB3C5D20E22 |
-128.06 |
9.85 |
-8.87 |
-0.86 |
0 |
|
|
418115 |
135103601 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-55.14 |
5.16 |
-8.88 |
-0.56 |
0 |
|
|
418116 |
135103602 |
1 |
SO2N7C14H15 |
AB2C7D14E15 |
43.22 |
7.1 |
-8.94 |
-0.98 |
0 |
|
|
418118 |
135103606 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-50.34 |
2.92 |
-9.06 |
-1.22 |
0 |
|
|
418119 |
135103608 |
1 |
ClN3O4C16H20 |
AB3C4D16E20 |
-127.5 |
8.7 |
-9.43 |
-0.57 |
0 |
|
|
418120 |
135103609 |
1 |
NSO3C23H27 |
ABC3D23E27 |
-95.04 |
1.83 |
-8.52 |
-0.06 |
0 |
|
|
418121 |
135103611 |
1 |
OSN4C19H20 |
ABC4D19E20 |
61.21 |
6.91 |
-9.29 |
-1.02 |
0 |
|
|
418123 |
135103614 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-6.11 |
4.69 |
-8.97 |
-0.92 |
0 |
|
|
418124 |
135103622 |
1 |
SN3O4C19H23 |
AB3C4D19E23 |
-119.37 |
7.51 |
-9.13 |
-0.35 |
0 |
|
|
418125 |
135103626 |
2 |
ON2C8H9 |
AB2C8D9 |
-16.85 |
1.91 |
-9.24 |
-0.74 |
0 |
|
|
418126 |
135103633 |
1 |
ON4C20H24 |
AB4C20D24 |
75.05 |
6.86 |
-9.28 |
-1.1 |
0 |
|
|
418127 |
135103634 |
2 |
NSO2C7H10 |
ABC2D7E10 |
-75.54 |
3.65 |
-9.26 |
-0.96 |
0 |
|
|
418128 |
135103635 |
1 |
ClO2N3C20H28 |
AB2C3D20E28 |
-90.63 |
3.82 |
-9.09 |
-0.25 |
0 |
|
|
418129 |
135103637 |
1 |
O5N6C27H32 |
A5B6C27D32 |
-117.52 |
4.9 |
-8.62 |
-0.98 |
0 |
|
|
418130 |
135103639 |
1 |
ON5C19H27 |
AB5C19D27 |
11.88 |
3.34 |
-9.23 |
-0.2 |
0 |
|
|
418131 |
135103641 |
2 |
ON2C8H13 |
AB2C8D13 |
-70.26 |
5.7 |
-9.16 |
0.2 |
0 |
|
|
418134 |
135103644 |
1 |
N2O3C25H32 |
A2B3C25D32 |
-89.51 |
6.58 |
-7.95 |
0.58 |
0 |
|
|
418135 |
135103645 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-28.96 |
4.04 |
-9.27 |
-0.73 |
0 |
|
|
418136 |
135103646 |
1 |
ON4C21H30 |
AB4C21D30 |
-1.1 |
3.8 |
-8.76 |
-0.15 |
0 |
|
|
418137 |
135103647 |
1 |
NO3C21H27 |
AB3C21D27 |
-123.44 |
3.31 |
-8.57 |
-0.48 |
0 |
|
|
418138 |
135103649 |
1 |
N5O7C33H45 |
A5B7C33D45 |
-273.08 |
10.89 |
-8.24 |
-0.04 |
0 |
|
|
418139 |
135103651 |
1 |
FN3O4C17H20 |
AB3C4D17E20 |
-124.61 |
2.92 |
-8.94 |
-1.16 |
0 |
|
|
418140 |
135103652 |
1 |
ON5H17C19 |
AB5C17D19 |
130.68 |
4.43 |
-9.11 |
-0.78 |
0 |
|
|
418141 |
135103653 |
1 |
SN5O6C33H45 |
AB5C6D33E45 |
-243.96 |
2.91 |
-8.62 |
-0.16 |
0 |
|
|
418142 |
135103654 |
1 |
ClN2O5C16H19 |
AB2C5D16E19 |
-196.15 |
8.76 |
-8.98 |
-0.43 |
0 |
|
|
418143 |
135103655 |
2 |
NO2C9H13 |
AB2C9D13 |
-72.65 |
4.85 |
-8.75 |
-0.12 |
0 |
|
|
418144 |
135103656 |
1 |
ClN2O2C19H27 |
AB2C2D19E27 |
-95.26 |
2.72 |
-9.16 |
-0.16 |
0 |
|
|
418145 |
135103659 |
1 |
NSO3C19H29 |
ABC3D19E29 |
-136.75 |
6.69 |
-8.37 |
0.07 |
0 |
|
|
418146 |
135103660 |
1 |
SO6N10C40H46 |
AB6C10D40E46 |
-122.88 |
11.43 |
-8.42 |
-1.58 |
0 |
|
|
418147 |
135103661 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-169.58 |
4.12 |
-8.53 |
0.21 |
0 |
|
|
418148 |
135103663 |
1 |
SN2O3C19H22 |
AB2C3D19E22 |
-79.69 |
3.57 |
-9.11 |
-0.46 |
0 |
|
|
418149 |
135103680 |
1 |
ClO3N4C19H21 |
AB3C4D19E21 |
-88.79 |
4.48 |
-9.24 |
-0.85 |
0 |
|
|
418150 |
135103714 |
1 |
ON7C16H23 |
AB7C16D23 |
37.56 |
3.59 |
-9.03 |
-0.4 |
0 |
|
|
418151 |
135103715 |
2 |
ON3C7H9 |
AB3C7D9 |
-26.55 |
6.08 |
-8.85 |
-0.49 |
0 |
|
|
418152 |
135103716 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-112.23 |
5.21 |
-8.5 |
-0.33 |
0 |
|
|
418153 |
135103717 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-49.24 |
3.09 |
-8.78 |
-0.05 |
0 |
|
|
418154 |
135103722 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-85.44 |
2.56 |
-9.12 |
-0.84 |
0 |
|
|
418155 |
135103725 |
2 |
OSN2C8H8 |
ABC2D8E8 |
26.79 |
2.76 |
-8.96 |
-1.46 |
0 |
|
|
418156 |
135103727 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-55.49 |
6.0 |
-8.8 |
-0.95 |
0 |
|
|
418157 |
135103728 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-120.2 |
4.42 |
-8.2 |
0.26 |
0 |
|
|
418158 |
135103730 |
1 |
ON5C24H27 |
AB5C24D27 |
28.9 |
3.51 |
-9.33 |
-0.9 |
0 |
|
|
418159 |
135103731 |
1 |
ON5C18H19 |
AB5C18D19 |
54.7 |
3.88 |
-9.29 |
-0.62 |
0 |
|
|
418160 |
135103732 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-110.2 |
6.32 |
-9.47 |
-0.89 |
0 |
|
|
418161 |
135103733 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-80.73 |
5.9 |
-9.41 |
0.28 |
0 |
|
|
418162 |
135103734 |
1 |
N2O5C18H22 |
A2B5C18D22 |
-178.31 |
4.66 |
-9.17 |
-0.54 |
0 |
|
|
418163 |
135103735 |
1 |
FO2N3C20H24 |
AB2C3D20E24 |
-83.54 |
3.3 |
-9.27 |
-0.26 |
0 |
|
|
418164 |
135103736 |
1 |
NO3C19H27 |
AB3C19D27 |
-136.58 |
6.11 |
-8.72 |
0.21 |
0 |
|
|
418165 |
135103737 |
1 |
ON5C21H23 |
AB5C21D23 |
30.0 |
3.11 |
-8.49 |
-0.26 |
0 |
|
|
418166 |
135103738 |
1 |
ON4C18H30 |
AB4C18D30 |
-43.22 |
2.99 |
-8.82 |
0.13 |
0 |
|
|
418167 |
135103739 |
1 |
N3O3C22H29 |
A3B3C22D29 |
5.23 |
7.95 |
-8.47 |
-0.41 |
0 |
|
|
418168 |
135103741 |
1 |
SO2N6C18H18 |
AB2C6D18E18 |
58.8 |
3.63 |
-9.42 |
-1.26 |
0 |
|
|
418169 |
135103743 |
1 |
ClOF2N4H11C12 |
ABC2D4E11F12 |
-61.66 |
3.14 |
-10.26 |
-1.32 |
0 |
|
|
418170 |
135103745 |
1 |
N4O4C17H20 |
A4B4C17D20 |
-78.99 |
6.5 |
-9.6 |
-1.26 |
0 |
|
|
418171 |
135103746 |
1 |
NSO2C16H19 |
ABC2D16E19 |
-31.43 |
2.13 |
-8.71 |
-0.16 |
0 |
|
|
418173 |
135103751 |
1 |
ON4C25H32 |
AB4C25D32 |
-1.04 |
2.0 |
-8.63 |
-0.9 |
0 |
|
|
418174 |
135103753 |
2 |
ClON2C8H10 |
ABC2D8E10 |
-41.12 |
1.75 |
-8.85 |
-1.16 |
0 |
|
|
418175 |
135103754 |
1 |
NO5C18H21 |
AB5C18D21 |
-182.58 |
6.85 |
-9.98 |
-0.78 |
0 |
|
|
418176 |
135103755 |
1 |
O2N5C22H23 |
A2B5C22D23 |
27.72 |
1.19 |
-9.45 |
-1.18 |
0 |
|
|
418177 |
135103756 |
1 |
SO4N8C29H40 |
AB4C8D29E40 |
-89.93 |
7.39 |
-9.15 |
-0.92 |
0 |
|
|
418178 |
135103766 |
1 |
S2O6N9C37H51 |
A2B6C9D37E51 |
-161.87 |
12.05 |
-8.41 |
-0.55 |
0 |
|
|
418179 |
135103769 |
1 |
ON5C16H27 |
AB5C16D27 |
-4.09 |
3.5 |
-8.52 |
-0.36 |
0 |
|
|
418180 |
135103771 |
1 |
N5O7C28H43 |
A5B7C28D43 |
-329.51 |
3.85 |
-8.87 |
-0.21 |
0 |
|
|
418181 |
135103776 |
1 |
SO6N10C36H46 |
AB6C10D36E46 |
-165.55 |
7.21 |
-8.41 |
-1.28 |
0 |
|
|
418182 |
135103777 |
1 |
OSN2C18H26 |
ABC2D18E26 |
-32.18 |
2.81 |
-8.68 |
0.07 |
0 |
|
|
418185 |
135103780 |
1 |
SN3O3C16H27 |
AB3C3D16E27 |
-106.11 |
3.35 |
-8.85 |
-0.01 |
0 |